smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(O)C(=O)Cc1ccccc1[N+](=O)[O-] 1687032 CGCWRLDEYHZQCW-UHFFFAOYSA-N 209.157 0.791 5 50 BCBA in-vitro O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@@H]2[N+](=O)[O-] 142253695 WQIUUYJXPBMPQC-MYJAWHEDSA-N 246.222 0.447 5 50 BCBA COC(=O)c1cc([N+](=O)[O-])c(N)cc1OC 5141134 CUJURECWKNETII-UHFFFAOYSA-N 226.188 0.972 5 50 BCBA CN1C(=O)CN(c2ncc([N+](=O)[O-])s2)C1=O 71773207 LUZRIFYXCKOOKS-UHFFFAOYSA-N 242.216 0.450 5 50 BCBA C[N+](C)(C)[C@@H]1C=CC[C@@H]2CS(=O)(=O)[C@H]21 257357987 RDKSPGNVPCCQHE-OPRDCNLKSA-N 216.326 0.434 5 50 BCBA CN1CCN(Nc2ccc([N+](=O)[O-])cn2)CC1 4981685 CCDDGHTWKNACKD-UHFFFAOYSA-N 237.263 0.564 5 50 BCBA O=[N+]([O-])c1ccc([C@@H](O)CNCCO)cc1 116843455 XMHWIPPLQOSERJ-JTQLQIEISA-N 226.232 0.210 5 50 BCBA CCNc1nc(N(C)C)ncc1[N+](=O)[O-] 4085838 RIAOYZNWRJEPMM-UHFFFAOYSA-N 211.225 0.883 5 50 BCBA O=C(O)CNC(=O)Nc1ccccc1[N+](=O)[O-] 40545140 SXULMLRZOIIZIX-UHFFFAOYSA-N 239.187 0.801 5 50 BCBA COC(=O)[C@@H](N)[C@H](O)c1ccc([N+](=O)[O-])cc1 33650080 QGOBGGUPLZGSOC-DTWKUNHWSA-N 240.215 0.129 5 50 BCBA CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 86328 KZWPBAASZYQWIV-UHFFFAOYSA-N 230.245 0.644 5 50 BCBA in-vitro O=[N+]([O-])c1ccc(OS(=O)(=O)O)cc1 1633996 JBGHTSSFSSUKLR-UHFFFAOYSA-N 219.174 0.776 5 50 BCBA endogenous,in-man O=C(O)c1[nH]nc([N+](=O)[O-])c1Br 4015903 AYVPVIOGABUWIE-UHFFFAOYSA-N 235.981 0.779 5 50 BCBA CON(C(=O)Cn1cc([N+](=O)[O-])cn1)C(C)C 408521967 AXHFJZDAWBQUAT-UHFFFAOYSA-N 242.235 0.590 5 50 BCBA NNC(=S)Nc1ccc([N+](=O)[O-])cc1 4244899 XUUZUFNGKWHTSA-UHFFFAOYSA-N 212.234 0.755 5 50 BCBA in-vitro Cc1c(C(=O)O)[nH]c(C(=O)O)c1CC[N+](=O)[O-] 2155794 DBJSZXFEQIHQNQ-UHFFFAOYSA-N 242.187 0.539 5 50 BCBA O=C(O)CCC(Cl)([N+](=O)[O-])[N+](=O)[O-] 19327431 ICNAVQQUXFTQNN-UHFFFAOYSA-N 212.545 0.297 5 50 BCBA Cc1cc(S(N)(=O)=O)c(C)cc1[N+](=O)[O-] 232074646 YRVUJJGSAMOSBW-UHFFFAOYSA-N 230.245 0.859 5 50 BCBA O=[N+]([O-])c1cc(O)cc([N+](=O)[O-])c1O 3080634 LXYNWFIRAZCOKN-UHFFFAOYSA-N 200.106 0.914 5 50 BCBA biogenic O=[N+]([O-])c1ccc(Nc2nn[nH]n2)cc1 6615324 YIHBVLDNTBLREV-UHFFFAOYSA-N 206.165 0.852 5 50 BCBA COC(=O)c1cc([N+](=O)[O-])cnc1OC 34284761 DMKVLUGRWNKURX-UHFFFAOYSA-N 212.161 0.785 5 50 BCBA O=c1[nH]cnc2cc(F)c([N+](=O)[O-])cc12 3888591 VTUAEMSZEIGQRM-UHFFFAOYSA-N 209.136 0.970 5 50 BCBA in-vitro O=[N+]([O-])c1cccnc1N1CCNCC1 6658183 HSAKGWZDXDRYTB-UHFFFAOYSA-N 208.221 0.399 5 50 BCBA O=C(Nn1cnnc1)c1ccc([N+](=O)[O-])cc1 66581 HDRXSSZOGQDSNM-UHFFFAOYSA-N 233.187 0.570 5 50 BCBA COc1ccc([N+](=O)[O-])cc1CNCCO 2000935 ZMEJPNWTFNLTGG-UHFFFAOYSA-N 226.232 0.685 5 50 BCBA CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 81124 XONGBDXIFQIQBN-UHFFFAOYSA-N 201.203 0.998 5 50 BCBA in-vitro NC(=O)c1nc(-c2ccc([N+](=O)[O-])cc2)oc1N 12395081 CKGXYZCTBSPYFG-UHFFFAOYSA-N 248.198 0.931 5 50 BCBA O=C(O)c1nc2ccccn2c1[N+](=O)[O-] 43277632 AALLYEKQMKRVGR-UHFFFAOYSA-N 207.145 0.941 5 50 BCBA CS(=O)(=O)c1cccc([N+](=O)[O-])c1 1438795 FTJMAAWQEAOBBI-UHFFFAOYSA-N 201.203 0.998 5 50 BCBA in-vitro C[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])cc1 10774548 DJKCJZWSXXVJRE-SSDOTTSWSA-N 224.216 0.705 5 50 BCBA O=C(O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 1693948 NBDAHKQJXVLAID-UHFFFAOYSA-N 211.129 0.991 5 50 BCBA biogenic,in-vitro O=C(O)c1cccc(C(=O)O)c1[N+](=O)[O-] 2146925 CAHWDGJDQYAFHM-UHFFFAOYSA-N 211.129 0.991 5 50 BCBA in-vitro CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 284755 SUAZPYJJKLOXQK-UHFFFAOYSA-N 210.189 0.963 5 50 BCBA NC(=O)Cc1c([N+](=O)[O-])ccc(F)c1F 616567938 JLFPNYIUBDKLJR-UHFFFAOYSA-N 216.143 0.901 5 50 BCBA NS(=O)(=O)c1cccc([N+](=O)[O-])c1 4262218 TXTQURPQLVHJRE-UHFFFAOYSA-N 202.191 0.242 5 50 BCBA in-vivo CON(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 70243252 LEFJXVNFRPSHJX-UHFFFAOYSA-N 246.244 0.777 5 50 BCBA Cc1nn(-c2nnc[nH]2)c(C)c1[N+](=O)[O-] 1089594 QNVQXAGBNLVELI-UHFFFAOYSA-N 208.181 0.515 5 50 BCBA NCCOCCOc1ccccc1[N+](=O)[O-] 213923032 VXFCLRSMUZPEJO-UHFFFAOYSA-N 226.232 0.949 5 50 BCBA NC(=O)NC(=O)COc1ccccc1[N+](=O)[O-] 3382174 BRKAXFYHVMJVRL-UHFFFAOYSA-N 239.187 0.169 5 50 BCBA CS(=O)(=O)c1ccc([N+](=O)[O-])cn1 984186 UZLCJZWEVGHUMC-UHFFFAOYSA-N 202.191 0.393 5 50 BCBA CCOC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1O 14982693 JBTWWCUXSHUDEJ-UHFFFAOYSA-N 228.160 0.165 5 50 BCBA in-vitro O=C(O)Cn1nnc2c([N+](=O)[O-])cccc21 2771605 GNBXDLXBRNQXAM-UHFFFAOYSA-N 222.160 0.424 5 50 BCBA CON(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 261493837 KFNVBJUMIAVXSI-UHFFFAOYSA-N 226.188 0.934 5 50 BCBA Cn1c(=O)oc(=O)c2ccc([N+](=O)[O-])cc21 39243638 MULNCJWAVSDEKJ-UHFFFAOYSA-N 222.156 0.400 5 50 BCBA in-vitro Nc1cc(NCCCO)ccc1[N+](=O)[O-] 3877826 IHRGQNOJNOIMOB-UHFFFAOYSA-N 211.221 0.971 5 50 BCBA N[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O 34781663 FBTSQILOGYXGMD-ZCFIWIBFSA-N 226.188 0.255 5 50 BCBA biogenic,in-vitro CCOC(=O)Cc1[nH]nc(C)c1[N+](=O)[O-] 4344209 OTJKAIGPVJZCPH-UHFFFAOYSA-N 213.193 0.732 5 50 BCBA O=[N+]([O-])c1ccc(N2CCC[C@H]2CO)nc1 42238281 YBARIBJRNJYVTK-VIFPVBQESA-N 223.232 0.951 5 50 BCBA in-vitro O=[N+]([O-])c1cnn(C2=CNCCN=C2)c1 28377 IZQHDVAYFMTLBM-UHFFFAOYSA-N 207.193 0.264 5 50 BCBA C[C@H](Nc1ccc([N+](=O)[O-])cn1)C(=O)O 4108486 ZQASKPADHUTSCC-YFKPBYRVSA-N 211.177 0.875 5 50 BCBA O=[N+]([O-])c1cc(NCCO)c(O)c([N+](=O)[O-])c1 81991220 OABRBVCUJIJMOB-UHFFFAOYSA-N 243.175 0.613 5 50 BCBA COC(Cn1nccc1[N+](=O)[O-])OC 194532317 DKGRDPVWRAECSI-UHFFFAOYSA-N 201.182 0.410 5 50 BCBA CCOC(=O)CCn1cc([N+](=O)[O-])c(OC)n1 2537622 KAJICRPGNPRJSH-UHFFFAOYSA-N 243.219 0.753 5 50 BCBA NCCc1ccc(S(=O)(=O)O)cc1[N+](=O)[O-] 1655664 MORVDKAIWOHGNM-UHFFFAOYSA-N 246.244 0.343 5 50 BCBA in-vitro O=C(O)C[S@@](=O)c1ccccc1[N+](=O)[O-] 860023 WBGWBUXHHKALPP-HNNXBMFYSA-N 229.213 0.787 5 50 BCBA in-vitro O=C1[C@H]2C([N+](=O)[O-])[C@@H]2C(=O)N1Cc1ccccc1 101172792 WQIUUYJXPBMPQC-RKDXNWHRSA-N 246.222 0.447 5 50 BCBA CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 19536726 RRFLFPDRTOJXTJ-UHFFFAOYSA-N 249.270 0.982 5 50 BCBA O=[N+]([O-])C(CCCO)(CCCO)CCCO 2504663 WQOWCQQAYGOQNI-UHFFFAOYSA-N 235.280 0.319 5 50 BCBA COC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 36723347 BVXXCLOWOKATMP-UHFFFAOYSA-N 239.183 0.959 5 50 BCBA CONS(=O)(=O)c1ccccc1[N+](=O)[O-] 70273222 IWXQZFJHLGOLHE-UHFFFAOYSA-N 232.217 0.435 5 50 BCBA CCOc1nn(CCN)cc1[N+](=O)[O-] 12357724 BDBXUZYUDWQOMS-UHFFFAOYSA-N 200.198 0.149 5 50 BCBA CN(C)S(=O)(=O)n1cccc1[N+](=O)[O-] 261493999 NVMGFJPUVXALHU-UHFFFAOYSA-N 219.222 0.051 5 50 BCBA NC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 4520140 UXNGJVZEAQGYOA-UHFFFAOYSA-N 222.248 0.917 5 50 BCBA NC(=O)c1cc(F)c([N+](=O)[O-])c(F)c1 95080235 UWRANGRDPHQGBQ-UHFFFAOYSA-N 202.116 0.972 5 50 BCBA Cc1cc([N+](=O)[O-])nn1CC(=O)NCC(C)C 196076 IKHGJZHTTDFNLU-UHFFFAOYSA-N 240.263 0.872 5 50 BCBA Nc1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 12341178 VNQHSLZBEBYZHO-UHFFFAOYSA-N 205.177 0.962 5 50 BCBA in-vitro N[C@@H]1CCN(c2ccc([N+](=O)[O-])c3nonc23)C1 6505630 QSDDQXROWUJAJX-ZCFIWIBFSA-N 249.230 0.668 5 50 BCBA in-vitro NCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] 4755274 SWABRQLBQMSCAH-UHFFFAOYSA-N 224.220 0.064 5 50 BCBA O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 34772749 LWFUFLREGJMOIZ-UHFFFAOYSA-N 228.116 0.907 5 50 BCBA in-vitro CNc1nccc(C(=O)OC)c1[N+](=O)[O-] 225807322 NAWYTNCUYRWLFP-UHFFFAOYSA-N 211.177 0.818 5 50 BCBA in-vitro CC[C@@H]([N+](=O)[O-])[C@]1(O)C(=O)Nc2ccccc21 107806 KDYOZDLMMKEDOB-KOLCDFICSA-N 236.227 0.882 5 50 BCBA CN(CCO)c1ccc([N+](=O)[O-])c2nonc12 4141449 MMAHXRSYSZZVCZ-UHFFFAOYSA-N 238.203 0.560 5 50 BCBA O=C1CNCCN1c1cccc([N+](=O)[O-])c1 34623521 VFWUZSXMPSDONN-UHFFFAOYSA-N 221.216 0.531 5 50 BCBA in-vitro Cc1c([N+](=O)[O-])c([N+](=O)[O-])nn1CC(=O)O 4066432 CIOCINHGDJSRDZ-UHFFFAOYSA-N 230.136 0.093 5 50 BCBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1nc[nH]n1 4991963 NVNGDAFBFAVXEV-UHFFFAOYSA-N 233.187 0.965 5 50 BCBA COC(=O)CNC(=O)c1ccc([N+](=O)[O-])o1 2898235 BNYRTULASCLFCL-UHFFFAOYSA-N 228.160 0.091 5 50 BCBA COC(=O)c1ccc([N+](=O)[O-])c(C(N)=O)c1 147143325 SYMOILOVJDGPKX-UHFFFAOYSA-N 224.172 0.480 5 50 BCBA CC[C@@H]([N+](=O)[O-])[C@@]1(O)C(=O)Nc2ccccc21 107810 KDYOZDLMMKEDOB-MWLCHTKSSA-N 236.227 0.882 5 50 BCBA O=[N+]([O-])c1ncn(Cc2ccc3c(c2)OCO3)n1 109447 ACSFDWNTGAJADG-UHFFFAOYSA-N 248.198 0.963 5 50 BCBA O=C(O)Cc1cc([N+](=O)[O-])ccc1C(=O)O 4290726 CKXXWBQEZGLFMV-UHFFFAOYSA-N 225.156 0.920 5 50 BCBA in-vitro O=[N+]([O-])c1ccc(S(=O)(=O)NO)cc1 13813795 UYGXLIUFUDWVHR-UHFFFAOYSA-N 218.190 0.262 5 50 BCBA Cc1ccc(C(=O)NCCO)cc1[N+](=O)[O-] 2863064 SBPTXYKLGUVFRK-UHFFFAOYSA-N 224.216 0.625 5 50 BCBA biogenic O=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]c1=O 236276 RYMLSFWVYNAKAR-UHFFFAOYSA-N 207.145 0.125 5 50 BCBA in-vivo O=C(O)c1ccc([N+](=O)[O-])cc1P(=O)(O)O 1870296 PFWUFGANONPVGT-UHFFFAOYSA-N 247.099 0.096 5 50 BCBA in-vitro NNC(=S)Nc1cccc([N+](=O)[O-])c1 2528167 XGLWDVPGYUSGCU-UHFFFAOYSA-N 212.234 0.755 5 50 BCBA in-vitro COC(=O)c1cc([N+](=O)[O-])ccc1NCCN 1772572540 FVSGPONPYWDDMY-UHFFFAOYSA-N 239.231 0.752 5 50 BCBA O=C(O)c1ccc([N+](=O)[O-])c(C(=O)O)c1 2575270 OCJFXVHDIVAONP-UHFFFAOYSA-N 211.129 0.991 5 50 BCBA COC(=O)[C@@H](C)n1cc([N+](=O)[O-])c(C)n1 2534367 RQVNXFDWWXIPRP-ZCFIWIBFSA-N 213.193 0.834 5 50 BCBA COC(=O)[C@@H](C)Cn1nc([N+](=O)[O-])cc1C 2536968 NQFHYQHOYIOPHR-LURJTMIESA-N 227.220 0.909 5 50 BCBA O=[N+]([O-])[C@]12[C@@H]3C[C@H]4[C@H]1[C@H]1[C@H]5C[C@H]([C@@H]12)[C@@]31O[C@]451 104304119 VZXYSOZEPMIKHV-KVSYUWSUSA-N 217.224 0.685 5 50 BCBA CN1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 15443075 MRKLOFJXWXDNEO-UHFFFAOYSA-N 236.275 0.929 5 50 BCBA in-vitro C[C@H]1[C@H]([N+]2(C)CCCCC2)CS1(=O)=O 1711560 NOBNPHGJBCNQMW-VHSXEESVSA-N 218.342 0.802 5 50 BCBA Cc1cc([N+](=O)[O-])nn1NC(=O)c1cnccn1 8549427 GGDVKZHVCXREOD-UHFFFAOYSA-N 248.202 0.274 5 50 BCBA CC1(CO)CC[N+]2(CC1)CCS(=O)(=O)CC2 1615057936 WDAGXCWRWAWHNP-UHFFFAOYSA-N 248.368 0.024 5 50 BCBA Cn1cc(Cn2cc([N+](=O)[O-])cn2)cn1 2538884 FFLZFRBKJSDOSI-UHFFFAOYSA-N 207.193 0.573 5 50 BCBA CN1CCN(c2ccc([N+](=O)[O-])cn2)CC1 20246840 DZIASOMGGPNYCU-UHFFFAOYSA-N 222.248 0.742 5 50 BCBA in-vitro CCONC(=O)c1ccc(O)c([N+](=O)[O-])c1 159968042 MYRQOXASERNLRL-UHFFFAOYSA-N 226.188 0.982 5 50 BCBA C[C@H]1C[N+](C)(C)C[C@H]1CS(=O)(=O)O 5534366 GVMSSDONHVHGNP-YUMQZZPRSA-O 208.303 0.217 5 50 BCBA N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O 43865 GTVVZTAFGPQSPC-MRVPVSSYSA-N 210.189 0.549 5 50 BCBA biogenic,in-vitro COC(=O)[C@H](N)Cc1ccc([N+](=O)[O-])cc1 19924553 FUFUQQWIXMPZFU-SECBINFHSA-N 224.216 0.638 5 50 BCBA in-vitro CNC(=O)c1ccc([N+](=O)[O-])c(NC)c1 54414378 BMRJCALGAKPSJJ-UHFFFAOYSA-N 209.205 0.996 5 50 BCBA O=C(O)[C@@H](O)c1cc(F)c([N+](=O)[O-])cc1F 263622782 AWNGVDZJAVCBJL-ZETCQYMHSA-N 233.126 0.991 5 50 BCBA O=c1[nH]c2cc(NCCO)c([N+](=O)[O-])cc2[nH]1 4133462 UHNVYZJKWMWHAI-UHFFFAOYSA-N 238.203 0.169 5 50 BCBA NC(=O)c1c(O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 2186001 PPUYZQKBOLZHSK-UHFFFAOYSA-N 227.132 0.308 5 50 BCBA Nc1c[n+]([O-])c(Br)cc1[N+](=O)[O-] 221527568 VDISGDOEOLMWND-UHFFFAOYSA-N 234.009 0.573 5 50 BCBA N[C@H](CC(=O)O)Cc1ccc([N+](=O)[O-])cc1 2385943 SMTCEKUITUZDPM-QMMMGPOBSA-N 224.216 0.939 5 50 BCBA in-vitro CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1F 81567850 LRLGZSCNBBCVJF-UHFFFAOYSA-N 248.235 0.984 5 50 BCBA COc1cc([N+](=O)[O-])c([N+](=O)[O-])nc1OC 4531774 SYQQHZQAXVASKX-UHFFFAOYSA-N 229.148 0.915 5 50 BCBA CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N 4773084 KIMXIMWZIRTKCQ-UHFFFAOYSA-N 216.218 0.581 5 50 BCBA in-vitro O=[N+]([O-])c1ccc(NCCO)c([N+](=O)[O-])c1 3878124 OTKBBNLNJMLKDT-UHFFFAOYSA-N 227.176 0.907 5 50 BCBA Cc1cc2nc3c(=O)[nH]c(O)nc3nc2cc1N 3189438 PYQIUKUGUHARRB-UHFFFAOYSA-N 243.226 0.463 5 50 BCBA biogenic O=c1ccc2nc3ccccc3c(=O)n2[nH]1 3832892 ACNORTKXGHPBSK-UHFFFAOYSA-N 213.196 0.536 5 50 BCBA O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccccn1 4810342 XVBHDVIYXLJIRZ-UHFFFAOYSA-N 247.214 0.825 5 50 BCBA O=[N+]([O-])C[C@H](O)c1ccccc1[N+](=O)[O-] 137465345 VBINJEMMNGAHJO-QMMMGPOBSA-N 212.161 0.905 5 50 BCBA CC(C)NC(=O)Cn1cc([N+](=O)[O-])cn1 1423791 ZOBGPAMFIIALRF-UHFFFAOYSA-N 212.209 0.316 5 50 BCBA COc1cc(C(=O)O)c(N)cc1[N+](=O)[O-] 38339188 SDGOTDAQMBDEOT-UHFFFAOYSA-N 212.161 0.884 5 50 BCBA in-vitro CNc1c([N+](=O)[O-])nn(-c2ccccc2)[n+]1[O-] 4808021 INQNRDSDNRLVTP-UHFFFAOYSA-N 235.203 0.456 5 50 BCBA O=[N+]([O-])C[C@@H](O)c1ccc2c(c1)OCO2 39408070 QDNBPTZNZMPBBO-SSDOTTSWSA-N 211.173 0.725 5 50 BCBA CC1=C[C@H](C)C[N+]2(CCS(=O)(=O)CC2)C1 1775988984 XKTWOSYYLSAHPE-JTQLQIEISA-N 230.353 0.828 5 50 BCBA O=[N+]([O-])c1cccnc1N1CC[C@](F)(CO)C1 253393290 YTMHGWBGWJQPHD-SNVBAGLBSA-N 241.222 0.901 5 50 BCBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CC2)cc1 6093337 ZGBAGAYAVNYGRR-UHFFFAOYSA-N 228.229 0.599 5 50 BCBA Cc1nc([N+](=O)[O-])c(NCC(=O)O)n1C 4342630 KJTKPBACDDFPHU-UHFFFAOYSA-N 214.181 0.133 5 50 BCBA NNC(=S)Nc1ccccc1[N+](=O)[O-] 3885880 SCSGXHUQNKDYPY-UHFFFAOYSA-N 212.234 0.755 5 50 BCBA in-vitro O=[N+]([O-])c1ccccc1S(=O)(=O)NO 13813802 CDRGZNIXJYUKQP-UHFFFAOYSA-N 218.190 0.262 5 50 BCBA CN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1 5042478 GWRLXLVWHUDABB-UHFFFAOYSA-N 237.259 0.886 5 50 BCBA CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 128950 ZCWXRMBVAKOURU-UHFFFAOYSA-N 230.245 0.845 5 50 BCBA in-vitro COc1nn(CCC(=O)O)cc1[N+](=O)[O-] 2549511 NVRUFVJPKKJABJ-UHFFFAOYSA-N 215.165 0.275 5 50 BCBA Nc1ccc(S(=O)(=O)O)c([N+](=O)[O-])c1 1670004 ZNMGCJDUZADKPW-UHFFFAOYSA-N 218.190 0.424 5 50 BCBA C[C@@H](O)CNCCOc1cccc([N+](=O)[O-])c1 4833472 KGEHYBBKHBFUCF-SECBINFHSA-N 240.259 0.944 5 50 BCBA O=[N+]([O-])c1cc(S(=O)(=O)O)ccc1O 1651909 JBMAUZQHVVHPEL-UHFFFAOYSA-N 219.174 0.547 5 50 BCBA CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C 3904426 VKEVNWDJJFOSCD-UHFFFAOYSA-N 236.231 0.827 5 50 BCBA Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[S@](=O)C1 309498862 KZXLFGDWDUJING-MUCOVADDSA-N 244.276 0.261 5 50 BCBA O=[N+]([O-])c1ccc(P(=O)(O)O)cc1 1555517 CBWCNKVANCTCAD-UHFFFAOYSA-N 203.090 0.398 5 50 BCBA CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 3644164 RDHQFKQIGNGIED-QMMMGPOBSA-O 204.246 0.099 5 50 BCBA endogenous,in-man CC1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 407980218 JZIILLKKRFDLTM-UHFFFAOYSA-N 210.193 0.410 5 50 BCBA O=C(Cn1nnc([N+](=O)[O-])n1)c1cccs1 967431 YJYXPTUZPQSWHG-UHFFFAOYSA-N 239.216 0.526 5 50 BCBA [O-][n+]1c2ccccc2[n+]([O-])c2cc(O)ccc21 3843483 BMYLMFASUBJXBU-UHFFFAOYSA-N 228.207 0.965 5 50 BCBA O=[N+]([O-])c1c[n+]([O-])n(-c2ccccc2)n1 2878073 RZUCFYFDRVXANH-UHFFFAOYSA-N 206.161 0.414 5 50 BCBA O=C1O[C@H]2[C@H]3[C@H]4[C@H]5[C@H]3[C@H]1[C@H]1[C@@H]5[C@H]([N+](=O)[O-])[C@H]4[C@H]21 257358509 UXFUQCVDTNBUBL-ZNHABSMNSA-N 233.223 0.171 5 50 BCBA CCN1CN(c2ncc([N+](=O)[O-])s2)CC1=O 192551014 VTPHNSFFHLERLB-UHFFFAOYSA-N 242.260 0.677 5 50 BCBA Nc1nc2ncc(-c3n[nH]cc3[N+](=O)[O-])cn2n1 987772 CMJZYOLWZQAFEW-UHFFFAOYSA-N 246.190 0.005 5 50 BCBA O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccccn1 1428140 QXECISPPFDLJOF-UHFFFAOYSA-N 247.214 0.825 5 50 BCBA Cc1ccc(NC(=N)NC(=N)N)cc1[N+](=O)[O-] 85389063 LZUVDCBBUFSLHY-UHFFFAOYSA-N 236.235 0.733 5 50 BCBA O=[N+]([O-])c1ccc2c(cnn2CCO)c1 49582222 ARJLAPREGBZGMU-UHFFFAOYSA-N 207.189 0.937 5 50 BCBA in-vitro COCC(C)(C)C(=O)Nc1cc([N+](=O)[O-])n[nH]1 1303573142 DJHLRKVRSBRBKI-UHFFFAOYSA-N 242.235 0.929 5 50 BCBA O=C(O)C[S@](=O)c1ccccc1[N+](=O)[O-] 3866037 WBGWBUXHHKALPP-OAHLLOKOSA-N 229.213 0.787 5 50 BCBA in-vitro CC(C)(C)NC(=O)Cn1cnc([N+](=O)[O-])n1 35122 DAIIDCNKYSGGLP-UHFFFAOYSA-N 227.224 0.101 5 50 BCBA Cn1nc([N+](=O)[O-])nc1N1CCCCC1 4535216 DWTFUSCHJFUDMW-UHFFFAOYSA-N 211.225 0.714 5 50 BCBA Cc1nnnn1C[C@@H](O)c1cccc([N+](=O)[O-])c1 193412413 TWMBSOWRMMXTIT-SNVBAGLBSA-N 249.230 0.623 5 50 BCBA Cc1cnn(C(=O)Cn2cc([N+](=O)[O-])c(C)n2)c1 2779264 LFOYDHMCNLWKBI-UHFFFAOYSA-N 249.230 0.945 5 50 BCBA C[C@@H](O)CNCCNc1ccc([N+](=O)[O-])cc1 4045478 DCCCLSPCSLEACH-SECBINFHSA-N 239.275 0.977 5 50 BCBA COC(=O)CCn1cc([N+](=O)[O-])c(C)n1 2536990 RIZFXFZOWGKEFB-UHFFFAOYSA-N 213.193 0.663 5 50 BCBA O=[N+]([O-])c1cnn(CCN2CCOCC2)c1 20428837 VYWULEPJDHQXQG-UHFFFAOYSA-N 226.236 0.124 5 50 BCBA CNC(=O)c1cc([N+](=O)[O-])cc(C)c1N 1857782929 DJSVQZJNVUKHDZ-UHFFFAOYSA-N 209.205 0.845 5 50 BCBA CC(C)n1nc([N+](=O)[O-])c([N+](=O)[O-])c1C(=O)O 223249520 IBOXBHMVMDVEQZ-UHFFFAOYSA-N 244.163 0.979 5 50 BCBA Nc1ncnc(NC[C@@H]2CCCO2)c1[N+](=O)[O-] 3912527 WHRFTAISDOZEOQ-LURJTMIESA-N 239.235 0.558 5 50 BCBA O=C(Nn1cnnc1)c1ccc([N+](=O)[O-])o1 974658 CUGVWXYIJAMCTA-UHFFFAOYSA-N 223.148 0.163 5 50 BCBA O=C(O)Cn1cc([N+](=O)[O-])nc1Cl 8306613 ZYTDXBQPACCZPY-UHFFFAOYSA-N 205.557 0.529 5 50 BCBA O=C(O)C1CN(c2ncccc2[N+](=O)[O-])C1 4108296 GRLPBYBNIZQBLL-UHFFFAOYSA-N 223.188 0.511 5 50 BCBA Cc1cc2nc3[nH]c(=O)[nH]c(=O)c3nc2cc1C 12446789 ZJTJUVIJVLLGSP-UHFFFAOYSA-N 242.238 0.776 5 50 BCBA biogenic,in-vivo NC(=O)c1c(F)cc([N+](=O)[O-])cc1F 263624116 NNXLILAXWDLULR-UHFFFAOYSA-N 202.116 0.972 5 50 BCBA O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCC1 1428151 YDFJXZWFIWCMBB-UHFFFAOYSA-N 224.220 0.414 5 50 BCBA CC(CCC(=O)O)(CCC(=O)O)[N+](=O)[O-] 1733814 QSVSXKWXZSDWIU-UHFFFAOYSA-N 219.193 0.751 5 50 BCBA Cc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 2040950 ZEFNOZRLAWVAQF-UHFFFAOYSA-N 225.160 0.910 5 50 BCBA endogenous,world C[C@H]1C[N+](C)(C)C[C@@H]1CS(=O)(=O)O 5534363 GVMSSDONHVHGNP-JGVFFNPUSA-O 208.303 0.217 5 50 BCBA O=[N+]([O-])c1ccc(NCCO)c(OCCO)c1 5420566 PNENOUKIPPERMY-UHFFFAOYSA-N 242.231 0.370 5 50 BCBA in-vitro COC(=O)[C@H](C)n1cc([N+](=O)[O-])c(C)n1 2732078 RQVNXFDWWXIPRP-LURJTMIESA-N 213.193 0.834 5 50 BCBA Nc1ccc(S(=O)(=O)O)cc1[N+](=O)[O-] 4244892 VZLLZDZTQPBHAZ-UHFFFAOYSA-N 218.190 0.424 5 50 BCBA CN1CCN(c2ncccc2[N+](=O)[O-])CC1 20246996 IRXHDQDKDQULCJ-UHFFFAOYSA-N 222.248 0.742 5 50 BCBA in-vitro CO[C@H]1CC[N+]2(CCS(=O)(=O)CC2)[C@@H](C)C1 1775988850 MFSRCXWBYLBIRF-QWRGUYRKSA-N 248.368 0.429 5 50 BCBA CCOC(=O)c1c([N+](=O)[O-])c(C)nn1C 373194 VDHKTDCTKTZYQI-UHFFFAOYSA-N 213.193 0.813 5 50 BCBA in-vitro Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)O 3909515 ARQFVRQZKJYVKU-UHFFFAOYSA-N 219.584 0.838 5 50 BCBA in-vitro CCCCOC[C@@H]1C[N+]23CCO[B-]2(OCC3)O1 195829831 PZXCSRDDHIXQML-HIFPTAJRSA-N 243.112 0.515 5 50 BCBA COC(=O)[C@H](C)n1nc([N+](=O)[O-])cc1C 2731971 ZOTXPZYWJZCYOJ-LURJTMIESA-N 213.193 0.834 5 50 BCBA CN(c1cccnc1[N+](=O)[O-])S(C)(=O)=O 196212231 LDQYCZBYWGAOCG-UHFFFAOYSA-N 231.233 0.386 5 50 BCBA O=[N+]([O-])c1ccc(OC[C@H](O)CO)cc1 5260533 YERGZLQRVWFVAZ-MRVPVSSYSA-N 213.189 0.327 5 50 BCBA in-vitro O=C(O)CNC(=O)c1cccc([N+](=O)[O-])c1 70805 GSVGZXWNWOCWGJ-UHFFFAOYSA-N 224.172 0.409 5 50 BCBA in-vitro CN[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O 2391149 AQKMYHBKZMBFDY-VIFPVBQESA-N 224.216 0.810 5 50 BCBA in-vitro N[C@@H](CC(=O)O)Cc1ccc([N+](=O)[O-])cc1 2385813 SMTCEKUITUZDPM-MRVPVSSYSA-N 224.216 0.939 5 50 BCBA COc1nc(SC)nc(N)c1[N+](=O)[O-] 5037776 CAWFJNWCDAHKLA-UHFFFAOYSA-N 216.222 0.698 5 50 BCBA NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 21993883 FAYVDRRKPVJSPE-UHFFFAOYSA-N 220.181 0.381 5 50 BCBA in-vitro Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[S@](=O)C1 309498860 KZXLFGDWDUJING-KXHHVGMCSA-N 244.276 0.261 5 50 BCBA Cc1nn(C)cc1Cn1cc([N+](=O)[O-])cn1 2538926 SZVPQPVDXMVZEB-UHFFFAOYSA-N 221.220 0.882 5 50 BCBA Cc1cc([N+](=O)[O-])c(N2CCNCC2)cc1N 4675101 MYGACZJWYUFXDN-UHFFFAOYSA-N 236.275 0.895 5 50 BCBA O=[N+]([O-])c1ccc(OCCO)c([N+](=O)[O-])c1 1646618 YYTMNJWMYPSLOD-UHFFFAOYSA-N 228.160 0.874 5 50 BCBA NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4180621 AIUKPEQJKQUQKZ-UHFFFAOYSA-N 226.192 0.874 5 50 BCBA in-vitro O=[N+]([O-])C12[C@H]3C[C@H]4C5C3C3C5[C@@H](C[C@H]31)C42[N+](=O)[O-] 104297614 YIVUUNBVGQDRQC-AAQZWBKSSA-N 248.238 0.809 5 50 BCBA O=[N+]([O-])c1cccnc1N1CC[C@@](F)(CO)C1 253393289 YTMHGWBGWJQPHD-JTQLQIEISA-N 241.222 0.901 5 50 BCBA CC12CC(C1)C[N+]21CCS(=O)(=O)CC1 1615055854 DNQYYNNZSSMWBE-UHFFFAOYSA-N 216.326 0.414 5 50 BCBA NNc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 100287239 HCTZYGGLKQYBKK-UHFFFAOYSA-N 243.135 0.697 5 50 BCBA Nc1ccc2nc3c(=O)[nH]c(O)nc3nc2c1 323210 JCLWDYJJLLQWQS-UHFFFAOYSA-N 229.199 0.154 5 50 BCBA biogenic NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 170314527 PJIBMTOUMHBAMK-UHFFFAOYSA-N 209.161 0.019 5 50 BCBA N=c1oc2ccc([N+](=O)[O-])cc2cc1C(N)=O 285038 JYHYHHSGPRCGNY-UHFFFAOYSA-N 233.183 0.919 5 50 BCBA O=[N+]([O-])c1c(NCCO)ccc2nonc12 3996101 ONQQXCWWUUEILQ-UHFFFAOYSA-N 224.176 0.535 5 50 BCBA O=C(Cc1ccc([N+](=O)[O-])cc1)NCCO 2473190 LOSCMMWJDXQNCG-UHFFFAOYSA-N 224.216 0.246 5 50 BCBA O=C1O[C@H]2[C@H]3[C@@H]4[C@H]5[C@@H]([N+](=O)[O-])[C@H]6[C@H]([C@@H]1[C@@H]3[C@@H]46)[C@@H]25 257358508 UXFUQCVDTNBUBL-QVYIDADESA-N 233.223 0.171 5 50 BCBA O=C(O)[C@H](O)c1cc(F)c([N+](=O)[O-])c(F)c1 263623526 IFXUQTXIPMOXMX-SSDOTTSWSA-N 233.126 0.991 5 50 BCBA COC(=O)[C@@H](C)n1cc([N+](=O)[O-])c(OC)n1 373452 NQZIHBUUPPMPTI-RXMQYKEDSA-N 229.192 0.534 5 50 BCBA O=c1[nH]c2cc([N+](=O)[O-])ccc2c(=O)o1 1721767 KCNIWFFVWBXWAV-UHFFFAOYSA-N 208.129 0.390 5 50 BCBA in-vitro NC(=O)c1ncc(Cl)cc1[N+](=O)[O-] 71623944 STMVOCILKBZVFG-UHFFFAOYSA-N 201.569 0.742 5 50 BCBA in-vitro CC(=O)OCCOc1cccnc1[N+](=O)[O-] 585118869 GCRLTQSITNAURF-UHFFFAOYSA-N 226.188 0.932 5 50 BCBA CN1C(=O)COc2ccc([N+](=O)[O-])cc21 1390249 XVUXEVROROOLKY-UHFFFAOYSA-N 208.173 0.950 5 50 BCBA O=[N+]([O-])c1ccc2cnn(CCO)c2c1 1699797 HMSWPUPFIDHGQF-UHFFFAOYSA-N 207.189 0.937 5 50 BCBA CN(CCO)c1ccc([N+](=O)[O-])cc1C(=O)O 4819302 PRDXIZPBPMAQDX-UHFFFAOYSA-N 240.215 0.722 5 50 BCBA C[C@H](O)CNCCOc1cccc([N+](=O)[O-])c1 4833471 KGEHYBBKHBFUCF-VIFPVBQESA-N 240.259 0.944 5 50 BCBA C[N+](C)(C)[C@@]12CCCC[C@@H]1S(=O)(=O)C2 4973143 QOBVIUDAOJMQAC-VHSXEESVSA-N 218.342 0.802 5 50 BCBA CS(=O)(=O)c1ccccc1[N+](=O)[O-] 36372919 VAUDOALZTARJIW-UHFFFAOYSA-N 201.203 0.998 5 50 BCBA in-vitro CC[C@H]([N+](=O)[O-])[C@@]1(O)C(=O)Nc2ccccc21 107809 KDYOZDLMMKEDOB-GXSJLCMTSA-N 236.227 0.882 5 50 BCBA O=C(c1cccc([N+](=O)[O-])c1)N1CCNCC1 2528785 RTCPOEOGSICKJP-UHFFFAOYSA-N 235.243 0.640 5 50 BCBA CN(C)S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 3878829 QUBSAGHTZIZCBS-UHFFFAOYSA-N 245.260 0.427 5 50 BCBA Cc1cc(C)n(CC(=O)O)c(=O)c1[N+](=O)[O-] 140126 DHPOXPMQHNJROT-UHFFFAOYSA-N 226.188 0.458 5 50 BCBA O=c1[nH][nH]c(=O)c2c([N+](=O)[O-])cccc12 8579392 YVOBBFQJMOGQOU-UHFFFAOYSA-N 207.145 0.125 5 50 BCBA Cc1nnnn1CCOc1ccc([N+](=O)[O-])cc1 131882648 YPLSBCWTJGQISX-UHFFFAOYSA-N 249.230 0.969 5 50 BCBA O=C(O)CCNc1ccc([N+](=O)[O-])cn1 4108476 HAQMFRLYNNBJHX-UHFFFAOYSA-N 211.177 0.876 5 50 BCBA N=C(N)NC(=N)Nc1ccc([N+](=O)[O-])cc1 5785460 BRGSYTBCYKKSBQ-UHFFFAOYSA-N 222.208 0.425 5 50 BCBA O=[N+]([O-])c1cccc([C@H]2CNCCN2)c1 2563709 VGANTLKDSNLDDD-SNVBAGLBSA-N 207.233 0.829 5 50 BCBA C[N@@+]1(CCO)C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 252441381 SXZDIEOMZTVPMJ-XHBSWPGZSA-N 249.334 0.404 5 50 BCBA biogenic Cn1c(O)nc(Cl)c([N+](=O)[O-])c1=O 15022448 PRHMVAKNXHWSJP-UHFFFAOYSA-N 205.557 0.048 5 50 BCBA CS(=O)(=O)c1ccc(C=O)c([N+](=O)[O-])c1 2525103 HUGPVFHLSSCVSM-UHFFFAOYSA-N 229.213 0.811 5 50 BCBA in-vitro CCOC(=O)C(=O)c1ncccc1[N+](=O)[O-] 1857796740 KWJHWGZNNAECAF-UHFFFAOYSA-N 224.172 0.736 5 50 BCBA CC(=O)Cn1cc([N+](=O)[O-])c([N+](=O)[O-])n1 4343645 QPFQCQYRBRRLRK-UHFFFAOYSA-N 214.137 0.289 5 50 BCBA COC(=O)Cn1c(C)cc(C)c([N+](=O)[O-])c1=O 209250 GCESYRZFSYEUQV-UHFFFAOYSA-N 240.215 0.546 5 50 BCBA O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1O 13815087 LQCKFXAPVKCRRU-UHFFFAOYSA-N 200.106 0.914 5 50 BCBA O=[N+]([O-])c1cc(S(=O)(=O)O)ccc1F 1769040 OOJWQLSHYOELSK-UHFFFAOYSA-N 221.165 0.981 5 50 BCBA COC(=O)[C@@H](N)Cc1ccccc1[N+](=O)[O-] 59939311 GVNQFWJRYMDFNR-QMMMGPOBSA-N 224.216 0.638 5 50 BCBA COC(=S)NCCn1c([N+](=O)[O-])cnc1C 5425133 OVEVHVURWWTPFC-UHFFFAOYSA-N 244.276 0.621 5 50 BCBA in-man NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 3162444 QHVQQUVAILWCLB-UHFFFAOYSA-N 236.636 0.896 5 50 BCBA Cc1c([N+](=O)[O-])c(C(=O)N2CCCC2)nn1C 376045 HGSXTABNNBXWPN-UHFFFAOYSA-N 238.247 0.873 5 50 BCBA C[C@H]1CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 8698461 IPKIIZQGCWXJFM-BYDSUWOYSA-N 242.256 0.988 5 50 BCBA Nc1cc2c(c([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 34925594 APMGBMZNHJWKGN-UHFFFAOYSA-N 241.159 0.856 5 50 BCBA Cc1nn(CCC(=O)O)c(C)c1[N+](=O)[O-] 2565568 VGKCUVQITAZDAF-UHFFFAOYSA-N 213.193 0.883 5 50 BCBA in-vitro CN(C)CCCNc1ncnc(N)c1[N+](=O)[O-] 3912505 IZODMZONMHSHLG-UHFFFAOYSA-N 240.267 0.331 5 50 BCBA NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 1574310 QOQQUXGKXVOXTH-UHFFFAOYSA-N 236.636 0.896 5 50 BCBA in-vitro O=C(CNCCO)Nc1cccc([N+](=O)[O-])c1 2383593 RFQXHFQBVXQNAM-UHFFFAOYSA-N 239.231 0.115 5 50 BCBA NC(=O)c1ccc(NCCO)c([N+](=O)[O-])c1 15205524 HWIFOTHJSSDGGC-UHFFFAOYSA-N 225.204 0.098 5 50 BCBA in-vitro CCOC(=O)Cn1cc([N+](=O)[O-])c(OC)n1 998825 NRQWIPMSVMQIFV-UHFFFAOYSA-N 229.192 0.363 5 50 BCBA O=C(Cn1ccc([N+](=O)[O-])n1)n1cccn1 1428154 MHCIENLEGSGUCI-UHFFFAOYSA-N 221.176 0.328 5 50 BCBA CCOC(=O)Cn1cccc([N+](=O)[O-])c1=O 33358735 YUAVHQCGIUMCPH-UHFFFAOYSA-N 226.188 0.320 5 50 BCBA in-vitro NC(=O)c1cc([N+](=O)[O-])cnc1Cl 6091388 ISGBAOSZUCMBKK-UHFFFAOYSA-N 201.569 0.742 5 50 BCBA in-vitro Cc1nc(N2CCOCC2)nc(N)c1[N+](=O)[O-] 4758670 FISBGOZBQXAXRX-UHFFFAOYSA-N 239.235 0.112 5 50 BCBA CC1=CCC[N+]2(CCS(=O)(=O)CC2)C1 1615610503 JYWZABRGMPFTQL-UHFFFAOYSA-N 216.326 0.582 5 50 BCBA C[C@@](N)(C(=O)O)[C@H](O)c1ccc([N+](=O)[O-])cc1 322430 CKVZILNVXVAJQX-SCZZXKLOSA-N 240.215 0.430 5 50 BCBA COc1cc([N+](=O)[O-])ccc1OCCN 4783792 GHLDVDHGFCZIKI-UHFFFAOYSA-N 212.205 0.941 5 50 BCBA CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 4783139 RWLGILNBHSTSEO-UHFFFAOYSA-N 230.245 0.811 5 50 BCBA in-vitro C[C@@H](O)[C@H](O)NCc1ccc([N+](=O)[O-])cc1 4829033 BCYKZYMJWQJPDM-XCBNKYQSSA-N 226.232 0.384 5 50 BCBA c1ccc2c(c1)nnn2C[N+]12CCN(CC1)CC2 5286597 ZPNINMNDZLZHRC-UHFFFAOYSA-N 244.322 0.535 5 50 BCBA NC(=O)c1nn(CC(F)F)cc1[N+](=O)[O-] 223252169 CZBVWKFKMBFRST-UHFFFAOYSA-N 220.135 0.155 5 50 BCBA Nc1nc(N)nc(-c2ccc([N+](=O)[O-])cc2)n1 55241 NMEQRRZUQAFVIV-UHFFFAOYSA-N 232.203 0.611 5 50 BCBA CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 3644165 RDHQFKQIGNGIED-MRVPVSSYSA-O 204.246 0.099 5 50 BCBA endogenous,world NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2023174 UTESHVANCFLTQV-UHFFFAOYSA-N 211.133 0.602 5 50 BCBA O=C(O)[C@@H](O)c1cc(F)cc(F)c1[N+](=O)[O-] 263623548 IKJBMPBRMDCKBY-ZETCQYMHSA-N 233.126 0.991 5 50 BCBA CCCCNC(=O)c1[nH]ncc1[N+](=O)[O-] 4114700 UTEGAXZLQOHKBI-UHFFFAOYSA-N 212.209 0.848 5 50 BCBA O=[N+]([O-])[C@]12[C@@H]3C[C@H]4[C@H]1[C@@H]1[C@@H]2[C@H]2C[C@H]1[C@@]41O[C@@]321 257358729 VZXYSOZEPMIKHV-IJXCPWHCSA-N 217.224 0.685 5 50 BCBA O=[N+]([O-])c1ccccc1NC[C@H](O)CO 4772929 WKSAPOUMJXDCPL-ZETCQYMHSA-N 212.205 0.360 5 50 BCBA CC1(C)C[C@H](O)C[N+]2(CCS(=O)(=O)CC2)C1 1776005264 FNZWRLBTSSXHKY-JTQLQIEISA-N 248.368 0.022 5 50 BCBA C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2)CCN1 3878509 APMZVVTZOBXMJT-QMMMGPOBSA-N 236.275 0.975 5 50 BCBA NC(=O)NC(=O)COc1ccc([N+](=O)[O-])cc1 3564386 FUPVGBDNZQTZRU-UHFFFAOYSA-N 239.187 0.169 5 50 BCBA CNC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 78545757 DPMJQNUVNCPUFG-UHFFFAOYSA-N 225.160 0.863 5 50 BCBA NC(=O)c1nn(C2CCOCC2)cc1[N+](=O)[O-] 143662524 RGRFXFOSADUTLN-UHFFFAOYSA-N 240.219 0.242 5 50 BCBA CS(=O)(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c1 153774 QNOUABMNRMROSL-UHFFFAOYSA-N 245.212 0.697 5 50 BCBA O=C1CNCCN1c1ccc([N+](=O)[O-])cc1 42684370 TXHGONHNTRRRNA-UHFFFAOYSA-N 221.216 0.531 5 50 BCBA in-vitro O=[N+]([O-])C[C@H](O)c1ccc2c(c1)OCO2 39408071 QDNBPTZNZMPBBO-ZETCQYMHSA-N 211.173 0.725 5 50 BCBA CN(C)c1ccc(S(=O)(=O)O)cc1[N+](=O)[O-] 5208186 WTZIRHQYKCHHNN-UHFFFAOYSA-N 246.244 0.908 5 50 BCBA CN(C)c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] 19537585 HSOJXWZUIUMDCS-UHFFFAOYSA-N 212.165 0.964 5 50 BCBA NC(=S)NNc1cccc([N+](=O)[O-])c1 8873662 MUCSDUVPFULSGM-UHFFFAOYSA-N 212.234 0.755 5 50 BCBA COC(=O)C[C@H](CC[N+](=O)[O-])C(=O)OC 1857796738 KJTDRYWLKFVPES-LURJTMIESA-N 219.193 0.006 5 50 BCBA O=[N+]([O-])c1cc(F)c(NC[C@@H](O)CO)c(F)c1 231630790 OVESAPVDFXYQBY-ZCFIWIBFSA-N 248.185 0.638 5 50 BCBA C[C@](N)(C(=O)O)[C@H](O)c1ccc([N+](=O)[O-])cc1 322427 CKVZILNVXVAJQX-PSASIEDQSA-N 240.215 0.430 5 50 BCBA O=C(O)C(=O)Nc1ccc([N+](=O)[O-])cc1 3875722 ZEJKSYPGUAUQKW-UHFFFAOYSA-N 210.145 0.618 5 50 BCBA O=[N+]([O-])[C@]12[C@@H]3C[C@H]4[C@H]1[C@@H]1[C@@H]2[C@H]2C[C@H]1[C@@]41O[C@]321 257358728 VZXYSOZEPMIKHV-DSQNJTNDSA-N 217.224 0.685 5 50 BCBA c1cc2c3cnc4ncnn4c3ccn2n1 12388833 LTXCMOOZECDDLY-UHFFFAOYSA-N 210.200 0.925 5 50 BCBA O=C(NCCO)c1ccc([N+](=O)[O-])cc1 1681179 HSVWGRARUBXOMD-UHFFFAOYSA-N 210.189 0.317 5 50 BCBA C[N+](C)(C)[C@]12CCCC[C@H]1S(=O)(=O)C2 4973146 QOBVIUDAOJMQAC-ZJUUUORDSA-N 218.342 0.802 5 50 BCBA Oc1nc2ccccc2c2c1nnc1ncnn12 1848442985 QXNSWCACOSECTG-UHFFFAOYSA-N 238.210 0.926 5 50 BCBA C[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1ncn(C)n1 391931253 YILLVSNBKYBSRE-ZCFIWIBFSA-N 249.234 0.686 5 50 BCBA COC(=O)c1cc([N+](=O)[O-])c(N)c(F)c1N 90513186 RBALXPMHIYPOBI-UHFFFAOYSA-N 229.167 0.685 5 50 BCBA in-vitro O=C(O)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 2004507 GBSWIDSKAJFWMF-UHFFFAOYSA-N 228.116 0.907 5 50 BCBA in-vitro N[C@H]1CCN(c2ccc([N+](=O)[O-])c3nonc23)C1 6505629 QSDDQXROWUJAJX-LURJTMIESA-N 249.230 0.668 5 50 BCBA in-vitro COC(=O)CNC(=O)c1ccccc1[N+](=O)[O-] 438807 CXJJEYCLCSPEER-UHFFFAOYSA-N 238.199 0.498 5 50 BCBA CNC(=O)c1ccc([N+](=O)[O-])cc1NC 238340761 VCVPMEIIBYUZPM-UHFFFAOYSA-N 209.205 0.996 5 50 BCBA CNc1c([N+](=O)[O-])cc(C(N)=O)cc1[N+](=O)[O-] 227174094 ISLDZIHKMGYNNA-UHFFFAOYSA-N 240.175 0.644 5 50 BCBA O=C(O)[C@H](O)c1cc([N+](=O)[O-])cc(F)c1F 263623839 LDQVMMJHCGQDNP-SSDOTTSWSA-N 233.126 0.991 5 50 BCBA Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[S@@](=O)C1 309498859 KZXLFGDWDUJING-ADNUTGFCSA-N 244.276 0.261 5 50 BCBA Cn1nccc1C(=O)n1cc([N+](=O)[O-])cn1 315082 CSFRGDBYLNTCKZ-UHFFFAOYSA-N 221.176 0.213 5 50 BCBA Cn1cnc2ccc([N+](=O)[O-])cc2c1=O 32144 VKKHWBJUIXIVFV-UHFFFAOYSA-N 205.173 0.842 5 50 BCBA NCCOCCOc1ccc([N+](=O)[O-])cc1 236194553 HMTSRXKSDXRECX-UHFFFAOYSA-N 226.232 0.949 5 50 BCBA O=C(O)[C@H](O)c1c(F)cc(F)cc1[N+](=O)[O-] 263623905 LRYXDPIUPMAISH-SSDOTTSWSA-N 233.126 0.991 5 50 BCBA CO[C@@H]1CC[N+]2(CCS(=O)(=O)CC2)[C@@H](C)C1 1775988851 MFSRCXWBYLBIRF-WDEREUQCSA-N 248.368 0.429 5 50 BCBA C[C@@H](O)CNC(=O)c1cccc([N+](=O)[O-])c1 1233458 YQJFVIZDWWNEKR-SSDOTTSWSA-N 224.216 0.705 5 50 BCBA O=[N+]([O-])c1cc(NCCO)ccc1NCCO 21983244 HWQZRURILVPDGN-UHFFFAOYSA-N 241.247 0.403 5 50 BCBA in-vitro C[C@@H](C(=O)n1cccn1)n1cc([N+](=O)[O-])cn1 4686320 UDTKUEBCPIYCKK-ZETCQYMHSA-N 235.203 0.889 5 50 BCBA CO[C@H]1CC[N+]2(CCS(=O)(=O)CC2)[C@H](C)C1 1775988849 MFSRCXWBYLBIRF-MNOVXSKESA-N 248.368 0.429 5 50 BCBA CSc1nc(O)c([N+](=O)[O-])c(O)n1 5728401 LMCNSMCHUYZUFF-UHFFFAOYSA-N 203.179 0.518 5 50 BCBA in-vitro O=[N+]([O-])c1ccc(OCCOCCO)cc1 2028210 JEQVAGWIQNXLOE-UHFFFAOYSA-N 227.216 0.983 5 50 BCBA O=C(OC[C@H](O)CO)c1ccc([N+](=O)[O-])cc1 334486 MAYAWTAYWBXUSP-SECBINFHSA-N 241.199 0.105 5 50 BCBA Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1CCO 4181874 WOQFNZMZQCITII-UHFFFAOYSA-N 227.176 0.620 5 50 BCBA NC(=O)c1cc(F)cc(F)c1[N+](=O)[O-] 263624629 SCLORLWSFWCAAJ-UHFFFAOYSA-N 202.116 0.972 5 50 BCBA CN(c1ccc(N)cc1[N+](=O)[O-])S(C)(=O)=O 4998796 SLFRUQUHIZYNRC-UHFFFAOYSA-N 245.260 0.573 5 50 BCBA COc1ccc([N+](=O)[O-])cc1OCCN 38081381 PBNFUFMVSWAELL-UHFFFAOYSA-N 212.205 0.941 5 50 BCBA O=C(O)[C@H](O)c1cc([N+](=O)[O-])c(F)cc1F 263623378 GXHNKEYJWVMOBV-SSDOTTSWSA-N 233.126 0.991 5 50 BCBA Nc1cc(S(=O)(=O)O)cc([N+](=O)[O-])c1O 1908984 RHPXYZMDLOJTFF-UHFFFAOYSA-N 234.189 0.129 5 50 BCBA in-vitro Cc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 3865902 HVCWTENLJRUJPU-UHFFFAOYSA-N 216.218 0.551 5 50 BCBA O=[N+]([O-])c1cc(Br)cn2nnnc12 15021678 NXTXSMJQRBVECE-UHFFFAOYSA-N 244.008 0.795 5 50 BCBA in-vitro Nn1c(S)nnc1-c1ccccc1[N+](=O)[O-] 20158832 HQDSMPOPMQMIGK-UHFFFAOYSA-N 237.244 0.856 5 50 BCBA in-vitro CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 128953 IHIJFQRUYCEKCZ-UHFFFAOYSA-N 216.218 0.503 5 50 BCBA in-vitro CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] 39956527 SKQONNBJDANXBF-UHFFFAOYSA-N 211.177 0.818 5 50 BCBA in-vitro CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 4369113 FKHDGRMKIXBKNM-UHFFFAOYSA-N 216.218 0.503 5 50 BCBA O=C(O)[C@@H](O)c1cc([N+](=O)[O-])cc(F)c1F 263623840 LDQVMMJHCGQDNP-ZETCQYMHSA-N 233.126 0.991 5 50 BCBA O=C1COc2ccc([N+](=O)[O-])cc2CN1 104674 GPWQCPJNIXBZCX-UHFFFAOYSA-N 208.173 0.603 5 50 BCBA CN(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 5677766 FVUBGYHADVBQOW-UHFFFAOYSA-N 245.260 0.350 5 50 BCBA O=[N+]([O-])c1ccc(S(=O)(=O)O)cc1 2584252 SPXOTSHWBDUUMT-UHFFFAOYSA-N 203.175 0.842 5 50 BCBA in-vitro N[C@@H](C(=O)O)[C@@H](O)c1ccccc1[N+](=O)[O-] 3882983 HICBGALJKFSUJH-SFYZADRCSA-N 226.188 0.040 5 50 BCBA CS(=O)(=O)c1ccc(C(=O)O)cc1[N+](=O)[O-] 3886201 MZIWQSVCXANUIX-UHFFFAOYSA-N 245.212 0.697 5 50 BCBA in-vitro NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1690424 UUKWKUSGGZNXGA-UHFFFAOYSA-N 211.133 0.602 5 50 BCBA biogenic,in-man CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 305110 GTUAWMBSCRFHKR-UHFFFAOYSA-N 230.245 0.893 5 50 BCBA in-vitro O=C1Nc2c(cc(F)cc2[N+](=O)[O-])C1=O 19259645 WGBLCTOGPSHGGJ-UHFFFAOYSA-N 210.120 0.869 5 50 BCBA in-vitro CCOn1nnc2ccc([N+](=O)[O-])cc21 272276 ZZHKQCOIFOZKIQ-UHFFFAOYSA-N 208.177 0.788 5 50 BCBA NC(=O)c1c(F)cc(F)cc1[N+](=O)[O-] 263625338 YWWPEYWXRQLJEJ-UHFFFAOYSA-N 202.116 0.972 5 50 BCBA Nc1ncnc(NCc2cccnc2)c1[N+](=O)[O-] 3912524 IUKLCXSUDFGULX-UHFFFAOYSA-N 246.230 0.974 5 50 BCBA Cn1ncc(=N)c2cc([N+](=O)[O-])ccc21 380466048 WZYWMCPNOWKGJN-UHFFFAOYSA-N 204.189 0.961 5 50 BCBA C[C@@H]1[C@H]([N+]2(C)CCCCC2)CS1(=O)=O 1711561 NOBNPHGJBCNQMW-NXEZZACHSA-N 218.342 0.802 5 50 BCBA N[C@@H](C(=O)O)[C@H](O)c1ccccc1[N+](=O)[O-] 3882984 HICBGALJKFSUJH-HTQZYQBOSA-N 226.188 0.040 5 50 BCBA CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C 113446 HJLSLZFTEKNLFI-UHFFFAOYSA-N 247.276 0.534 5 50 BCBA biogenic,fda O=[N+]([O-])C1(Br)COCOC1 2011293 XVBRCOKDZVQYAY-UHFFFAOYSA-N 211.999 0.359 5 50 BCBA in-vitro C[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1 4521127 PXFUDSMGEYRNNC-ZCFIWIBFSA-N 209.205 0.881 5 50 BCBA biogenic N[C@H](Cc1cccc([N+](=O)[O-])c1)C(=O)O 2046240 YTHDRUZHNYKZGF-MRVPVSSYSA-N 210.189 0.549 5 50 BCBA in-vitro O=C(NCCO)c1ccc(Cl)cc1[N+](=O)[O-] 2834002 GKJMNAGJHCVFIV-UHFFFAOYSA-N 244.634 0.970 5 50 BCBA O=C1NS(=O)(=O)c2cccc([N+](=O)[O-])c21 168734042 RFHXJNKBDRTECE-UHFFFAOYSA-N 228.185 0.027 5 50 BCBA O=[N+]([O-])c1ccc(OCCCNCCO)cc1 2902055 MDEYGKJPSGDMRO-UHFFFAOYSA-N 240.259 0.946 5 50 BCBA O=C(O)[C@@H](O)c1cc([N+](=O)[O-])c(F)cc1F 263623379 GXHNKEYJWVMOBV-ZETCQYMHSA-N 233.126 0.991 5 50 BCBA O=[N+]([O-])c1cc(-c2nnn[nH]2)ccc1F 33296079 YUJQZCDGMQSNKW-UHFFFAOYSA-N 209.140 0.914 5 50 BCBA in-vitro O=[N+]([O-])C1[C@H]2C3C4C5C3[C@H]3C2C([C@H]41)[C@H]5C3[N+](=O)[O-] 257358656 VRRKKZACJDWASH-WKSWPHAJSA-N 248.238 0.521 5 50 BCBA Cn1cc(Cn2nccc2[N+](=O)[O-])cn1 2538886 AHUMMOUDSUODKY-UHFFFAOYSA-N 207.193 0.573 5 50 BCBA COc1ccc(C[C@H](N)C(=O)O)cc1[N+](=O)[O-] 4836810 MZNPRACFHIBIGU-ZETCQYMHSA-N 240.215 0.558 5 50 BCBA O=C(Nc1nc[nH]n1)c1cccc([N+](=O)[O-])c1 17746866 XEWAORAPEICFSM-UHFFFAOYSA-N 233.187 0.965 5 50 BCBA COC(=O)c1cc(C)nc(O)c1[N+](=O)[O-] 170618858 AYFZTKKEDONACC-UHFFFAOYSA-N 212.161 0.790 5 50 BCBA in-vitro CC(C)NC(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1 1423792 WECCWJURJOCXEZ-SSDOTTSWSA-N 226.236 0.877 5 50 BCBA CN1CC[C@](Br)([N+](=O)[O-])C1 958528310 MERCNXKDNSATED-YFKPBYRVSA-N 209.043 0.690 5 50 BCBA C[C@@H]1[C@@H]([N+]2(C)CCCCC2)CS1(=O)=O 1711559 NOBNPHGJBCNQMW-ZJUUUORDSA-N 218.342 0.802 5 50 BCBA COc1ccc(-c2n[nH]c(N)n2)cc1[N+](=O)[O-] 4342648 PTKQEZAHPVQYDC-UHFFFAOYSA-N 235.203 0.971 5 50 BCBA NCCNc1ccc([N+](=O)[O-])cc1C(N)=O 5616251 LPMXCWLIOILIMC-UHFFFAOYSA-N 224.220 0.064 5 50 BCBA O=C1CN(c2ccc([N+](=O)[O-])cc2)CCN1 23381101 XJZGRBZMXHGFCB-UHFFFAOYSA-N 221.216 0.531 5 50 BCBA in-vitro O=C1N[C@@H]([C@@H](O)c2ccc([N+](=O)[O-])cc2)CO1 169541147 CGFNTQLZINKEQB-BDAKNGLRSA-N 238.199 0.737 5 50 BCBA CC(C)NC(=O)[C@H](C)n1cc([N+](=O)[O-])cn1 1423793 WECCWJURJOCXEZ-ZETCQYMHSA-N 226.236 0.877 5 50 BCBA Cc1nn(C)c(C(=O)N2CCCC2)c1[N+](=O)[O-] 376030 LDXSLCQXAAVJLD-UHFFFAOYSA-N 238.247 0.873 5 50 BCBA NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 34381077 LZZUPCVEJRPUJX-UHFFFAOYSA-N 209.205 0.882 5 50 BCBA in-vitro COC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 1397301 KZFMQWPQIKIILW-UHFFFAOYSA-N 248.198 0.962 5 50 BCBA C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2)CCN1 3878508 APMZVVTZOBXMJT-MRVPVSSYSA-N 236.275 0.975 5 50 BCBA COC(=O)[C@@H](N)Cc1ccc([N+](=O)[O-])cc1 19419136 FUFUQQWIXMPZFU-VIFPVBQESA-N 224.216 0.638 5 50 BCBA in-vitro Cc1ncc([N+](=O)[O-])n1CCS(C)(=O)=O 27644232 ILCSAOJBPVRPSZ-UHFFFAOYSA-N 233.249 0.144 5 50 BCBA CS(=O)(=O)Nc1ccc([N+](=O)[O-])cn1 16970183 MMGZKRNIRWBBGU-UHFFFAOYSA-N 217.206 0.361 5 50 BCBA O=C(O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)O 1587866 LCOPFDUKOIUDFD-UHFFFAOYSA-N 247.184 0.540 5 50 BCBA CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 19594962 YRQBFQMVTVLQGD-UHFFFAOYSA-N 249.270 0.982 5 50 BCBA Cc1cn([C@@H]2CCN(C)C2=O)nc1[N+](=O)[O-] 281244801 UEYDWRWOJPNXMX-SSDOTTSWSA-N 224.220 0.503 5 50 BCBA O=[N+]([O-])c1cccnc1N1CCOCC1 18217817 QMINJWUSSJFQBR-UHFFFAOYSA-N 209.205 0.826 5 50 BCBA in-vitro COC(=O)[C@H](C)n1cc([N+](=O)[O-])c(OC)n1 373450 NQZIHBUUPPMPTI-YFKPBYRVSA-N 229.192 0.534 5 50 BCBA Cc1nc2ccccn2c(=O)c1[N+](=O)[O-] 15722542 VGPZYFBFHWKACG-UHFFFAOYSA-N 205.173 0.911 5 50 BCBA NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 101915 XNUFBXKVFBOGTK-UHFFFAOYSA-N 202.116 0.972 5 50 BCBA in-vitro C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)NC1=O 3158784 FFMGTDIPZUOEEB-SNVBAGLBSA-N 235.199 0.649 5 50 BCBA O=[N+]([O-])c1cnn(Cn2cc([N+](=O)[O-])cn2)c1 1589132 PWKYKRGSXDRYOB-UHFFFAOYSA-N 238.163 0.402 5 50 BCBA NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 3885125 ZAJALNCZCSSGJC-UHFFFAOYSA-N 236.636 0.896 5 50 BCBA in-vitro O=[N+]([O-])c1cc([N+](=O)[O-])c(O)cc1O 1850960 MBXIRNHACKAGPA-UHFFFAOYSA-N 200.106 0.914 5 50 BCBA in-vitro O=C(O)c1ccc(NCCO)c([N+](=O)[O-])c1 3886395 KRTQQHYYZBCHED-UHFFFAOYSA-N 226.188 0.697 5 50 BCBA in-vitro O=C(NCCO)c1cc([N+](=O)[O-])ccc1Cl 2859821 JKHNEPAWOXAWGF-UHFFFAOYSA-N 244.634 0.970 5 50 BCBA NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1602580 GNDKYAWHEKZHPJ-UHFFFAOYSA-N 202.191 0.242 5 50 BCBA biogenic,in-vitro O=C(O)Cc1cn2cc([N+](=O)[O-])ccc2n1 19953078 VWKQCRUKPBJKEK-UHFFFAOYSA-N 221.172 0.870 5 50 BCBA Cn1c(CO)nc2cc([N+](=O)[O-])ccc21 297679 NLXOGZHRGUGBIL-UHFFFAOYSA-N 207.189 0.974 5 50 BCBA COCCCNc1ncnc(N)c1[N+](=O)[O-] 3912484 NGAOBYIYVSBVEN-UHFFFAOYSA-N 227.224 0.415 5 50 BCBA O=C(O)C(=O)Cc1ccc([N+](=O)[O-])cc1 1646626 CIGYFQSAFKLMAL-UHFFFAOYSA-N 209.157 0.791 5 50 BCBA biogenic,in-vitro COCCNc1ccc([N+](=O)[O-])cc1C(N)=O 5065264 NPKTYZVTLXQWGQ-UHFFFAOYSA-N 239.231 0.752 5 50 BCBA O=[N+]([O-])c1cc(N(CCO)CCO)ccc1F 5161700 ZZJIOLHDWAXCSE-UHFFFAOYSA-N 244.222 0.525 5 50 BCBA CS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)O)c1 59269089 FXWQIUPBICXSAU-UHFFFAOYSA-N 245.212 0.697 5 50 BCBA O=[N+]([O-])c1cnc(N2CCOCC2)nc1 4020621 MBLHMKXVISWUIA-UHFFFAOYSA-N 210.193 0.221 5 50 BCBA O=C(O)CS(=O)(=O)c1ccccc1[N+](=O)[O-] 135526 MWXQLKQDSAWKFW-UHFFFAOYSA-N 245.212 0.453 5 50 BCBA Cc1c(C(=O)O)cnc2c([N+](=O)[O-])cnn12 27952 GBJNFXGZENAWEN-UHFFFAOYSA-N 222.160 0.644 5 50 BCBA O=C(O)CNC(=O)c1ccccc1[N+](=O)[O-] 3162861 HUKQWHBZPIMEDH-UHFFFAOYSA-N 224.172 0.409 5 50 BCBA in-vitro CC[C@H](CO)Nc1ncnc(N)c1[N+](=O)[O-] 3912512 DSZUQZJUTIBYRD-RXMQYKEDSA-N 227.224 0.150 5 50 BCBA COC(=O)c1n[nH]c([N+](=O)[O-])c1Cl 6952956 JURFPHARTHQWDO-UHFFFAOYSA-N 205.557 0.758 5 50 BCBA O=[N+]([O-])c1cc[n+]([O-])c(Br)c1 1702430 IRBDHXCXCSFNEQ-UHFFFAOYSA-N 218.994 0.991 5 50 BCBA in-vitro CN(C)CCCNC(=O)c1ccc([N+](=O)[O-])o1 2898338 VDCUKJRGHJAYON-UHFFFAOYSA-N 241.247 0.869 5 50 BCBA NS(=O)(=O)/C=C/c1ccc([N+](=O)[O-])cc1 35731536 AAWSZAQEVCTOLT-AATRIKPKSA-N 228.229 0.854 5 50 BCBA CNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 4993582 AWJIBXDTYSYSBZ-UHFFFAOYSA-N 246.244 0.512 5 50 BCBA O=[N+]([O-])c1ccc(N2CCNCC2)nc1 4204047 YEPRCPIKTUGVHG-UHFFFAOYSA-N 208.221 0.399 5 50 BCBA in-vitro O=C1NCCNc2ccc([N+](=O)[O-])cc21 135870572 XHUQTTFCQZHGGG-UHFFFAOYSA-N 207.189 0.750 5 50 BCBA O=C(O)c1cnc2c([N+](=O)[O-])cnn2c1 1875327412 VHVAOOADTHQMIA-UHFFFAOYSA-N 208.133 0.336 5 50 BCBA O=[N+]([O-])c1n[nH]cc1I 4528480 NEPSFLAVWLZQKP-UHFFFAOYSA-N 238.972 0.923 5 50 BCBA CC1(C)C[C@@H](O)C[N+]2(CCS(=O)(=O)CC2)C1 1776005273 FNZWRLBTSSXHKY-SNVBAGLBSA-N 248.368 0.022 5 50 BCBA Cc1c([N+](=O)[O-])cc(C(N)=O)cc1[N+](=O)[O-] 3161409 TXZXZIKHDOCRFD-UHFFFAOYSA-N 225.160 0.910 5 50 BCBA biogenic Cn1c(=O)c(=O)n(C)c2cc([N+](=O)[O-])ccc21 1077846 RPSGZSRUMPMPRM-UHFFFAOYSA-N 235.199 0.145 5 50 BCBA C[C@H](C(=O)NCCO)c1ccc([N+](=O)[O-])cc1 2839085 NOSDDYFFLUPAND-QMMMGPOBSA-N 238.243 0.807 5 50 BCBA COc1cc([N+](=O)[O-])ccc1NS(C)(=O)=O 5210421 OGHIXDRDSPVXJZ-UHFFFAOYSA-N 246.244 0.975 5 50 BCBA CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 36108812 YVQVMPXTKXNMIV-UHFFFAOYSA-N 222.248 0.742 5 50 BCBA in-vitro Cc1cc(C)n2nc(O)c([N+](=O)[O-])c2n1 49631 XMTWAYDEJOPLRC-UHFFFAOYSA-N 208.177 0.960 5 50 BCBA O=c1[nH]c2ccc([N+](=O)[O-])cc2c(=O)o1 1699261 WWUBAHSWMPFIQZ-UHFFFAOYSA-N 208.129 0.390 5 50 BCBA CCOC(=O)Cn1cc([N+](=O)[O-])nc1[N+](=O)[O-] 3909511 DDCMMHFKQIPWRB-UHFFFAOYSA-N 244.163 0.263 5 50 BCBA C[C@@H]1C[N+](C)(C)C[C@H]1CS(=O)(=O)O 2572950 GVMSSDONHVHGNP-SFYZADRCSA-O 208.303 0.217 5 50 BCBA Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c2nonc12 4977302 GZHSHVREDJJCKZ-UHFFFAOYSA-N 225.120 0.621 5 50 BCBA O=c1[nH]c(O)nc2cc([N+](=O)[O-])ccc12 26899349 FDAQHIHYBBEDQQ-UHFFFAOYSA-N 207.145 0.537 5 50 BCBA in-vitro CC(=O)N[C@H](C(=O)O)c1ccc([N+](=O)[O-])cc1 5631859 CBWGGVSOZSVTEK-VIFPVBQESA-N 238.199 0.857 5 50 BCBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1ncn[nH]1 5998326 DGAUULYHBKEMMK-UHFFFAOYSA-N 247.214 0.894 5 50 BCBA O=[N+]([O-])c1c(Br)cnn1CCO 95704761 LOQUSLBXRGRGKO-UHFFFAOYSA-N 236.025 0.546 5 50 BCBA O=[N+]([O-])c1ccccc1NC[C@@H](O)CO 4772932 WKSAPOUMJXDCPL-SSDOTTSWSA-N 212.205 0.360 5 50 BCBA O=c1[nH]c2cccc([N+](=O)[O-])c2c(=O)o1 5117252 BGBLNERNAKQTDN-UHFFFAOYSA-N 208.129 0.390 5 50 BCBA in-vitro Cc1cc([N+](=O)[O-])nn1CC(=O)n1cccn1 4743983 YUEIWEPRIWZWOV-UHFFFAOYSA-N 235.203 0.637 5 50 BCBA COC(=O)c1cc([N+](=O)[O-])c(O)cc1O 34638869 RTNOQYZDKMGQGE-UHFFFAOYSA-N 213.145 0.793 5 50 BCBA in-vitro CCCOC[C@H]1Cn2nc([N+](=O)[O-])nc2O1 2870815 HEMJDGFDXQWCHJ-ZCFIWIBFSA-N 228.208 0.374 5 50 BCBA CS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 4216112 NDZFWKZHVAUUTN-UHFFFAOYSA-N 216.218 0.581 5 50 BCBA Nc1cc(N2CCOCC2)ncc1[N+](=O)[O-] 217913373 GFMFQKPYQFPVCU-UHFFFAOYSA-N 224.220 0.409 5 50 BCBA Nc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 4013993 RLIOZFXFZKCBIG-UHFFFAOYSA-N 227.132 0.783 5 50 BCBA in-vitro C[N+](C)(C)[C@@H]1C=CC[C@H]2CS(=O)(=O)[C@H]21 257357986 RDKSPGNVPCCQHE-IVZWLZJFSA-N 216.326 0.434 5 50 BCBA O=[N+]([O-])C[C@@]12O[C@H]3[C@@H]4[C@H]5C[C@@H]([C@@H]6[C@@H]5[C@@H]3[C@@H]61)[C@H]42 239378288 ONOSZFXFPMJTBZ-ARPVRJOBSA-N 219.240 0.788 5 50 BCBA O=C1CNC(=O)N1c1ccccc1[N+](=O)[O-] 40545265 MZJVRVBDHFYFLR-UHFFFAOYSA-N 221.172 0.651 5 50 BCBA COC(=O)CCn1nc([N+](=O)[O-])cc1C 2534323 MNNXGNJXAQAKTL-UHFFFAOYSA-N 213.193 0.663 5 50 BCBA CCC(=O)NCCNc1ccc([N+](=O)[O-])cn1 19852686 JQOULXITUMNHDO-UHFFFAOYSA-N 238.247 0.928 5 50 BCBA OCC[N@+]12CCCC[C@@H]1[C@H](CO)CCC2 245297229 QVZWEBDEFQVARW-YNEHKIRRSA-N 214.329 0.750 5 50 BCBA biogenic O=C(O)Cc1ccc([N+](=O)[O-])cc1C(=O)O 2523035 QHIFWNXJOHQQTH-UHFFFAOYSA-N 225.156 0.920 5 50 BCBA O=c1[nH]nc(C[N+](=O)[O-])c2ccccc12 8836475 ZJFJGWQSWWFLRI-UHFFFAOYSA-N 205.173 0.700 5 50 BCBA Cc1nnc2[nH]c3ccccc3c(=O)n2c1=O 101094898 AQDREEREPRHZNB-UHFFFAOYSA-N 228.211 0.239 5 50 BCBA O=C(CNC1CCCC1)N1CCC[C@@H]1[N+](=O)[O-] 261494080 PLBPENDTUXEQMS-JTQLQIEISA-N 241.291 0.744 5 50 BCBA CCOC(=O)c1cnn2cc([N+](=O)[O-])cnc12 5905118 LBYJWGFJADCGGX-UHFFFAOYSA-N 236.187 0.814 5 50 BCBA O=[N+]([O-])c1ccc(CS(=O)(=O)O)cc1 1764786 VWLGQKLHWIVCCZ-UHFFFAOYSA-N 217.202 0.983 5 50 BCBA O=C(O)[C@@H](O)c1c(F)cc([N+](=O)[O-])cc1F 263623721 KAIXPYDQMMYQOV-ZETCQYMHSA-N 233.126 0.991 5 50 BCBA CCC(=O)OCC(C)([N+](=O)[O-])[N+](=O)[O-] 19319347 DPHCPEAIBUMOMQ-UHFFFAOYSA-N 206.154 0.209 5 50 BCBA CC1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 407980938 PVDFAEMYFATCPD-UHFFFAOYSA-N 236.231 0.664 5 50 BCBA C[C@H](O)CNC(=O)c1cccc([N+](=O)[O-])c1 1233457 YQJFVIZDWWNEKR-ZETCQYMHSA-N 224.216 0.705 5 50 BCBA O=c1c([N+](=O)[O-])ccc2n1C[C@H]1CNC[C@H]2C1 169427739 TYIJTKJEBUZNGQ-HTQZYQBOSA-N 235.243 0.463 5 50 BCBA O=[N+]([O-])c1ccc(N2CCCNCC2)nc1 4276649 HVIKXFXKZFWDTQ-UHFFFAOYSA-N 222.248 0.790 5 50 BCBA in-vitro CN(c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 117520814 UZLYICXAFAPAIF-UHFFFAOYSA-N 230.245 0.991 5 50 BCBA CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 37052541 ZFFUFWXJBDZZFV-UHFFFAOYSA-N 234.208 0.642 5 50 BCBA COc1cc(C(=O)O)cc([N+](=O)[O-])c1N 199784029 IJWXHFVCOCMQAP-UHFFFAOYSA-N 212.161 0.884 5 50 BCBA O=C(NC1CC1)c1ccc([N+](=O)[O-])cn1 95495959 LWLJHXWQCJPKOT-UHFFFAOYSA-N 207.189 0.882 5 50 BCBA in-vitro Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc[nH]n1 701957972 DXTMNMRBYYOUGF-UHFFFAOYSA-N 248.202 0.547 5 50 BCBA O=[N+]([O-])[C@]12[C@@H]3C[C@H]4[C@H]1[C@H]1[C@H]5C[C@H]([C@@H]12)[C@]31O[C@]451 257358730 VZXYSOZEPMIKHV-RUDFYBKXSA-N 217.224 0.685 5 50 BCBA O=C(Nc1nnn[nH]1)c1cccc([N+](=O)[O-])c1 5003907 BLTLHRYRXPDWMD-UHFFFAOYSA-N 234.175 0.360 5 50 BCBA CCOC(=O)c1cc([N+](=O)[O-])c(C=O)[nH]1 199142271 OVEMXJXDWGFRTN-UHFFFAOYSA-N 212.161 0.912 5 50 BCBA O=[N+]([O-])c1cccnc1N1CCCNCC1 4299374 VBFOCWZEZQRKLP-UHFFFAOYSA-N 222.248 0.790 5 50 BCBA in-vitro O=C(OC[C@@H](O)CO)c1ccc([N+](=O)[O-])cc1 334488 MAYAWTAYWBXUSP-VIFPVBQESA-N 241.199 0.105 5 50 BCBA C[N+](C)(C)[C@@H]1C=CC[C@H]2CS(=O)(=O)[C@@H]21 71786983 RDKSPGNVPCCQHE-AEJSXWLSSA-N 216.326 0.434 5 50 BCBA CCS(=O)(=O)c1ccc([N+](=O)[O-])cn1 95495690 MIZVABBXVWQIQM-UHFFFAOYSA-N 216.218 0.783 5 50 BCBA O=c1[nH]nc(-c2ccc([N+](=O)[O-])cc2)o1 14608549 ADUFTMJBLYUADS-UHFFFAOYSA-N 207.145 0.938 5 50 BCBA in-vitro CC[C@H]([N+](=O)[O-])[C@]1(O)C(=O)Nc2ccccc21 107803 KDYOZDLMMKEDOB-ONGXEEELSA-N 236.227 0.882 5 50 BCBA COc1cccc(-c2c([N+](=O)[O-])no[n+]2[O-])c1 3161163 YGHYLBNUYCHBOK-UHFFFAOYSA-N 237.171 0.892 5 50 BCBA CNc1nc(Cl)nc(N)c1[N+](=O)[O-] 4087418 DCWBXIGKTRXBOV-UHFFFAOYSA-N 203.589 0.662 5 50 BCBA NCCNc1ccc(C(=O)O)cc1[N+](=O)[O-] 4706747 UFDQDPCNAIIBSP-UHFFFAOYSA-N 225.204 0.664 5 50 BCBA in-vitro O=[N+]([O-])c1cccc(P(=O)(O)O)c1 1555516 OXWXINKWKITCIH-UHFFFAOYSA-N 203.090 0.398 5 50 BCBA COC(=O)[C@@H](N)Cc1ccc(O)c([N+](=O)[O-])c1 226229 WMZFQRWZCGEEOA-ZETCQYMHSA-N 240.215 0.343 5 50 BCBA N[C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)O 1584114 SDZGVFSSLGTJAJ-ZETCQYMHSA-N 210.189 0.549 5 50 BCBA in-vitro Nc1cc2c(cc1[N+](=O)[O-])C(=O)NC2=O 40449681 JOPWCYFGRYCBEF-UHFFFAOYSA-N 207.145 0.061 5 50 BCBA in-vitro CS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 343430 WPYHDEFQVGUCQZ-UHFFFAOYSA-N 217.202 0.704 5 50 BCBA in-vitro COc1ccc([N+](=O)[O-])c(OC)c1C(N)=O 93032 LCQRTQDNVHJBLM-UHFFFAOYSA-N 226.188 0.711 5 50 BCBA CCS(=O)(=O)c1ncccc1[N+](=O)[O-] 95495691 NXNGEWXMQZQJHX-UHFFFAOYSA-N 216.218 0.783 5 50 BCBA in-vitro CCN(CC)C(=O)Cn1c([N+](=O)[O-])cnc1C 612698 VEQSROPSVVAJRZ-UHFFFAOYSA-N 240.263 0.968 5 50 BCBA O=Cc1cc([N+](=O)[O-])ccc1OCC(=O)O 1691580 SQXGTZOQJSQCPQ-UHFFFAOYSA-N 225.156 0.871 5 50 BCBA in-vitro Cc1cc([N+](=O)[O-])c(O)c(S(=O)(=O)O)c1 15686619 WZYUWOFTTWIQSK-UHFFFAOYSA-N 233.201 0.856 5 50 BCBA CC[N+](CC)(CC)CCS(=O)(=O)O 3130601 FSBKBPNHVHWRBJ-UHFFFAOYSA-O 210.319 0.751 5 50 BCBA NC(=O)c1c(-c2cccc([N+](=O)[O-])c2)noc1N 40488487 OVQUNVGVBAIOGQ-UHFFFAOYSA-N 248.198 0.931 5 50 BCBA NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 3192005 KDOWETFJBFGOOG-UHFFFAOYSA-N 236.636 0.896 5 50 BCBA O=C(O)CCCn1cnc([N+](=O)[O-])n1 4163878 VKHMLQUUROMVFW-UHFFFAOYSA-N 200.154 0.051 5 50 BCBA O=[N+]([O-])C(Br)(Br)CO 5112827 FMNZAHDAULEOSO-UHFFFAOYSA-N 248.858 0.699 5 50 BCBA Cc1ccc([N+](=O)[O-])cc1N(CCO)CCO 53735035 LBDQPPBZBDOZLW-UHFFFAOYSA-N 240.259 0.694 5 50 BCBA Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(C=O)cc21 5267394 NNHWMEMVJIVSHY-UHFFFAOYSA-N 235.199 0.598 5 50 BCBA C[C@@H](C(=O)NCCO)c1ccc([N+](=O)[O-])cc1 2839086 NOSDDYFFLUPAND-MRVPVSSYSA-N 238.243 0.807 5 50 BCBA Nc1ncn(C(=O)c2ccccc2[N+](=O)[O-])n1 2543540 LWEBVUNWOXSMMG-UHFFFAOYSA-N 233.187 0.457 5 50 BCBA O=[N+]([O-])c1cccc(S(=O)(=O)CCO)c1 56788 VMORQDKKMBAQPJ-UHFFFAOYSA-N 231.229 0.361 5 50 BCBA NC[C@@H](O)CNc1ccc([N+](=O)[O-])cc1Cl 4119383 NZJQJVVJMZHOKM-SSDOTTSWSA-N 245.666 0.980 5 50 BCBA O=C(O)c1nn2c(c1[N+](=O)[O-])CCCC2 45930214 YEWUUHHCMMBICC-UHFFFAOYSA-N 211.177 0.826 5 50 BCBA NC(=O)NCCc1ccc([N+](=O)[O-])cc1 1056832 NOSMOSBGDPCPMP-UHFFFAOYSA-N 209.205 0.806 5 50 BCBA CS(=O)(=O)Nc1ccccc1[N+](=O)[O-] 4541698 WFRCGQPFZHHIDL-UHFFFAOYSA-N 216.218 0.966 5 50 BCBA O=C(O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 21952191 DMZBNWBHPVSYBK-UHFFFAOYSA-N 239.187 0.801 5 50 BCBA CN(c1ccccc1[N+](=O)[O-])S(C)(=O)=O 39596511 MXWUQRNCQCAURO-UHFFFAOYSA-N 230.245 0.991 5 50 BCBA O=[N+]([O-])c1cccc(S(=O)(=O)O)c1 1700193 ONMOULMPIIOVTQ-UHFFFAOYSA-N 203.175 0.842 5 50 BCBA biogenic,in-vitro NCCNc1cc2[nH]c(=O)[nH]c2cc1[N+](=O)[O-] 4151235 ZDUQNDXUQTVUGK-UHFFFAOYSA-N 237.219 0.135 5 50 BCBA CCCCCNC[C@@H](O)C[N+](C)(C)C 71785204 AVGUQYNFQSZMHD-LLVKDONJSA-N 203.350 0.833 5 50 BCBA Cc1n[nH]c(N2CCOCC2)c1[N+](=O)[O-] 5002570 KMXODOQVUCOXIQ-UHFFFAOYSA-N 212.209 0.463 5 50 BCBA O=C(O)[C@H](O)c1cc(F)cc(F)c1[N+](=O)[O-] 263623547 IKJBMPBRMDCKBY-SSDOTTSWSA-N 233.126 0.991 5 50 BCBA c1cnc(N2CC[N+]3(CCCC3)CC2)nc1 2590905 RCXFJYVHZBXWRS-UHFFFAOYSA-N 219.312 0.907 5 50 BCBA in-vitro NS(=O)(=O)c1cc(F)c([N+](=O)[O-])c(F)c1 263622943 CHLNESFADAEQKR-UHFFFAOYSA-N 238.171 0.520 5 50 BCBA C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)NC1=O 3158785 FFMGTDIPZUOEEB-JTQLQIEISA-N 235.199 0.649 5 50 BCBA Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])ccc21 5286057 IYLOMHHYFYUDKZ-UHFFFAOYSA-N 221.172 0.135 5 50 BCBA CC1(C)OB(O)c2cc([N+](=O)[O-])ccc21 200310815 MUNRAMHQIFHFBM-UHFFFAOYSA-N 206.994 0.548 5 50 BCBA in-vitro Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 2471089 NTQPIRMIEKTLBR-UHFFFAOYSA-N 205.177 0.962 5 50 BCBA in-vitro CCCNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 2067886 OFKXRAKEDXULPM-UHFFFAOYSA-N 240.263 0.934 5 50 BCBA Cn1cnnc1Sc1c([N+](=O)[O-])ncn1C 13220263 NMBDIMPYACLUDE-UHFFFAOYSA-N 240.248 0.608 5 50 BCBA in-vitro Cn1c(=O)c2cccc([N+](=O)[O-])c2c(=O)n1C 4783920 OAFQWPMVYCDULH-UHFFFAOYSA-N 235.199 0.145 5 50 BCBA Cn1c2nc(=O)[nH]c(=O)c-2nc2ccccc21 331794 XJMWKAJCIMJIJK-UHFFFAOYSA-N 228.211 0.122 5 50 BCBA biogenic,in-vitro N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O 34800261 FBTSQILOGYXGMD-LURJTMIESA-N 226.188 0.255 5 50 BCBA endogenous,in-man O=C(O)CCNc1ncccc1[N+](=O)[O-] 8887708 BKZGYOUKDXPUDM-UHFFFAOYSA-N 211.177 0.876 5 50 BCBA in-vitro O=[N+]([O-])C[C@]12O[C@H]3[C@@H]4[C@H]5C[C@H]([C@@H]41)[C@H]1[C@H]2[C@H]3[C@H]51 239378294 ONOSZFXFPMJTBZ-RYZJEOIHSA-N 219.240 0.788 5 50 BCBA CC1=C[C@@H](C)C[N+]2(CCS(=O)(=O)CC2)C1 1775988985 XKTWOSYYLSAHPE-SNVBAGLBSA-N 230.353 0.828 5 50 BCBA COc1ccc(-n2cnnn2)c([N+](=O)[O-])c1 274983 FTEXZIMNZDHPLS-UHFFFAOYSA-N 221.176 0.579 5 50 BCBA C[N+](C)(C)[C@@H]1C=CC[C@@H]2CS(=O)(=O)[C@@H]21 71786985 RDKSPGNVPCCQHE-BBBLOLIVSA-N 216.326 0.434 5 50 BCBA CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 4991166 CVSFUJMMCVWGDQ-UHFFFAOYSA-N 230.245 0.811 5 50 BCBA CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 19868936 UMRXCSPRJVBXHH-UHFFFAOYSA-N 249.270 0.982 5 50 BCBA in-vitro O=[N+]([O-])c1c(O)nc(C(F)(F)F)nc1O 26438755 TWYBAIKDAZVENZ-UHFFFAOYSA-N 225.082 0.815 5 50 BCBA in-vitro C[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1 4301192 PXFUDSMGEYRNNC-LURJTMIESA-N 209.205 0.881 5 50 BCBA biogenic,in-vitro N[C@H](Cc1ccccc1[N+](=O)[O-])C(=O)O 2046239 SDZGVFSSLGTJAJ-SSDOTTSWSA-N 210.189 0.549 5 50 BCBA in-vitro NS(=O)(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 263625046 WGGXESNEYFPOLL-UHFFFAOYSA-N 238.171 0.520 5 50 BCBA COc1ccc([N+](=O)[O-])c2c(=O)oc(O)nc12 1857781054 HVBXMOUUDOHQQF-UHFFFAOYSA-N 238.155 0.810 5 50 BCBA CN(CCO)c1ccc2nonc2c1[N+](=O)[O-] 4894761 LYEQSHDWXLQAJR-UHFFFAOYSA-N 238.203 0.560 5 50 BCBA CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 33026325 FDPTYFWGUOZYDO-UHFFFAOYSA-N 209.205 0.996 5 50 BCBA in-vitro CCOC(=O)Cn1nc([N+](=O)[O-])cc1C 255455 GOSYRANHPYLOJW-UHFFFAOYSA-N 213.193 0.663 5 50 BCBA O=[N+]([O-])c1ccc([C@H](O)CN2CC2)cc1 3121381 JVKAAEKOBOXXEW-SNVBAGLBSA-N 208.217 0.944 5 50 BCBA COc1cc(C(N)=O)c([N+](=O)[O-])cc1OC 153557 KSBGGQRDBYVDSC-UHFFFAOYSA-N 226.188 0.711 5 50 BCBA in-vitro Cn1cnnc1Sc1nc([N+](=O)[O-])nn1C 1427917 YLJWWMWFYYJRNS-UHFFFAOYSA-N 241.236 0.003 5 50 BCBA O=c1c([N+](=O)[O-])cccn1Cc1ccon1 225393964 LDFYZGBBNSJZLZ-UHFFFAOYSA-N 221.172 0.793 5 50 BCBA COc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 4178752 JIYLSGFLLWXHGN-UHFFFAOYSA-N 241.159 0.611 5 50 BCBA O=CNC(NC=O)c1ccccc1[N+](=O)[O-] 1655696 XYMPZCZNXSJRPC-UHFFFAOYSA-N 223.188 0.085 5 50 BCBA CCCCOC[C@H]1Cn2nc([N+](=O)[O-])nc2O1 2871037 IHMRMRRBQZQJCX-SSDOTTSWSA-N 242.235 0.764 5 50 BCBA O=[N+]([O-])c1ccc2c(c1)CS(=O)(=O)O2 1710886 NKGKZWZGRMZCMO-UHFFFAOYSA-N 215.186 0.817 5 50 BCBA O=C(NCCO)c1cccc([N+](=O)[O-])c1 1685189 OXWSGQUZWFJATM-UHFFFAOYSA-N 210.189 0.317 5 50 BCBA in-vitro CCCCCNC[C@H](O)C[N+](C)(C)C 71785203 AVGUQYNFQSZMHD-NSHDSACASA-N 203.350 0.833 5 50 BCBA CCCOC[C@@H]1Cn2nc([N+](=O)[O-])nc2O1 2870816 HEMJDGFDXQWCHJ-LURJTMIESA-N 228.208 0.374 5 50 BCBA COC[C@@](C)([N+](=O)[O-])C(C)(C)[N+](=O)[O-] 25625728 LFXNWDGMWNVBHF-SSDOTTSWSA-N 206.198 0.724 5 50 BCBA O=C1CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)N1 4524677 HGNBEWLBSCSJGV-SECBINFHSA-N 249.226 0.812 5 50 BCBA COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 437470 SRHCLZBLAYUMEW-UHFFFAOYSA-N 238.199 0.498 5 50 BCBA COCCNC(=O)c1ccccc1[N+](=O)[O-] 2745586 KORPYKWAHOGXPV-UHFFFAOYSA-N 224.216 0.971 5 50 BCBA CC(C)Cc1nn(C)c(C(N)=O)c1[N+](=O)[O-] 4110414 BBWXHJPPGQOGEU-UHFFFAOYSA-N 226.236 0.626 5 50 BCBA NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1031283 QWKKYJLAUWFPDB-UHFFFAOYSA-N 202.191 0.242 5 50 BCBA in-vivo Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)O 2536937 KMZCUTVZUHLKMT-YFKPBYRVSA-N 213.193 0.820 5 50 BCBA COC(=O)C(C)(C)n1cnc([N+](=O)[O-])c1 117146153 MMZRRMWHKGPBGH-UHFFFAOYSA-N 213.193 0.699 5 50 BCBA CS(=O)(=O)c1ncccc1[N+](=O)[O-] 43827962 STJMXSFTAWNECC-UHFFFAOYSA-N 202.191 0.393 5 50 BCBA in-vitro CNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] 5209384 RZJVXIKQMVCDHG-UHFFFAOYSA-N 245.260 0.545 5 50 BCBA CCCc1nn(C)c(C(=O)O)c1[N+](=O)[O-] 168938 GFORSNBMYCLGIE-UHFFFAOYSA-N 213.193 0.979 5 50 BCBA biogenic,in-vitro C[C@@H](Nc1ccc([N+](=O)[O-])cn1)C(=O)O 4108490 ZQASKPADHUTSCC-RXMQYKEDSA-N 211.177 0.875 5 50 BCBA O=[N+]([O-])c1ccc(S(=O)(=O)O)c([N+](=O)[O-])c1 1680422 OVOJUAKDTOOXRF-UHFFFAOYSA-N 248.172 0.750 5 50 BCBA in-vitro O=C(Cn1cnc([N+](=O)[O-])c1)NC1CCCC1 336308 HHUSKCLQTVCPAY-UHFFFAOYSA-N 238.247 0.850 5 50 BCBA C[N+](C)(C)CCOC(=O)CCC(=O)O 2272642 JQLBLDAELQDYMK-UHFFFAOYSA-O 204.246 0.101 5 50 BCBA NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 12970888 HMMRSEKWXWQVIW-UHFFFAOYSA-N 247.188 0.150 5 50 BCBA O=c1c([N+](=O)[O-])c(O)nc2ccccn12 16545910 YHQPOWUWWJGTAP-UHFFFAOYSA-N 207.145 0.308 5 50 BCBA O=C(Cn1cc([N+](=O)[O-])cn1)n1cccn1 1422045 PQDHJRJSBZANPG-UHFFFAOYSA-N 221.176 0.328 5 50 BCBA CC(C)NC(=O)Cn1ccc([N+](=O)[O-])n1 1070564 RAPNXSOFMGJYRS-UHFFFAOYSA-N 212.209 0.316 5 50 BCBA Cc1cnn(C(=O)c2c([N+](=O)[O-])c(C)nn2C)c1 2777715 XZMOIDCJEZEGJQ-UHFFFAOYSA-N 249.230 0.830 5 50 BCBA Cc1cc(C)n(C(=O)Cn2cc([N+](=O)[O-])cn2)n1 1068790 SNBSZSZZCCADGA-UHFFFAOYSA-N 249.230 0.945 5 50 BCBA COCCNC(=O)c1ccc([N+](=O)[O-])cc1 2745288 GDRBGHXWHDMLEM-UHFFFAOYSA-N 224.216 0.971 5 50 BCBA O=C1O[C@H]2[C@H]3[C@H]4[C@@H]5[C@H]3[C@H]1[C@@H]1[C@@H]2[C@@H]4[C@H]([N+](=O)[O-])[C@@H]15 257358510 UXFUQCVDTNBUBL-ZZTORQMHSA-N 233.223 0.171 5 50 BCBA O=C(O)[C@H](O)c1cc(F)cc([N+](=O)[O-])c1F 263623400 HCXXQHTXQYGGOF-SSDOTTSWSA-N 233.126 0.991 5 50 BCBA COCn1nc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 34928900 GHESLFLQVFHCBO-UHFFFAOYSA-N 216.153 0.612 5 50 BCBA O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])n1 33353166 QFGZBGIZUAPDSC-UHFFFAOYSA-N 230.092 0.512 5 50 BCBA C[C@H]1[C@@H]([N+]2(C)CCCCC2)CS1(=O)=O 1711558 NOBNPHGJBCNQMW-UWVGGRQHSA-N 218.342 0.802 5 50 BCBA NC1CCN(c2ncccc2[N+](=O)[O-])CC1 19737388 LNUXRHMWVBPLJW-UHFFFAOYSA-N 222.248 0.917 5 50 BCBA CC[C@@H](CO)Nc1ncnc(N)c1[N+](=O)[O-] 3912511 DSZUQZJUTIBYRD-YFKPBYRVSA-N 227.224 0.150 5 50 BCBA C[C@H](Nc1ncc([N+](=O)[O-])cn1)c1ncn(C)n1 391931251 YILLVSNBKYBSRE-LURJTMIESA-N 249.234 0.686 5 50 BCBA COC(=O)[C@@H](C)Cn1cc([N+](=O)[O-])cn1 2732026 DAAZJGICJDQDDL-LURJTMIESA-N 213.193 0.600 5 50 BCBA CCOC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 95016 XQUYPKGOLQYZRE-UHFFFAOYSA-N 227.220 0.971 5 50 BCBA CS(=O)(=O)Nc1cccc([N+](=O)[O-])c1 374095 AMOWOCUREJPCKE-UHFFFAOYSA-N 216.218 0.966 5 50 BCBA in-vitro CCCCOC[C@@H]1Cn2nc([N+](=O)[O-])nc2O1 2871038 IHMRMRRBQZQJCX-ZETCQYMHSA-N 242.235 0.764 5 50 BCBA Cc1cc([N+](=O)[O-])nn1CCCC(=O)O 266310 VYLGYJSYRJTZMP-UHFFFAOYSA-N 213.193 0.965 5 50 BCBA O=[N+]([O-])c1ccc([C@@H](O)CN2CC2)cc1 3121382 JVKAAEKOBOXXEW-JTQLQIEISA-N 208.217 0.944 5 50 BCBA Cc1sc(S(N)(=O)=O)cc1[N+](=O)[O-] 117596044 OUGDKKIYXNBIPE-UHFFFAOYSA-N 222.247 0.612 5 50 BCBA O=C(O)c1ccc(C(=O)O)c([N+](=O)[O-])c1 85314 QUMITRDILMWWBC-UHFFFAOYSA-N 211.129 0.991 5 50 BCBA in-vitro NC[C@H](O)CNc1ccc([N+](=O)[O-])cc1Cl 4119384 NZJQJVVJMZHOKM-ZETCQYMHSA-N 245.666 0.980 5 50 BCBA O=[N+]([O-])c1ccc(N2CCOCC2)c(CO)c1 4336137 MDWRAXFULYTOCK-UHFFFAOYSA-N 238.243 0.924 5 50 BCBA CCOC(=O)CN(C)c1ccc([N+](=O)[O-])cn1 50086911 YFNDKYZZDYEFMN-UHFFFAOYSA-N 239.231 0.989 5 50 BCBA COCCNc1ccc([N+](=O)[O-])c(N)n1 86830301 JSBHJWWBPOACHR-UHFFFAOYSA-N 212.209 0.630 5 50 BCBA COC(=O)c1cc(C(C)=O)c([N+](=O)[O-])[nH]1 167158070 YZSBUCXXYJGFNU-UHFFFAOYSA-N 212.161 0.912 5 50 BCBA COc1cc(N)c([N+](=O)[O-])cc1C(=O)O 5141132 AOANPIGDKLHHIC-UHFFFAOYSA-N 212.161 0.884 5 50 BCBA in-vitro O=[N+]([O-])c1ccc([C@H](O)CNCCO)cc1 116843453 XMHWIPPLQOSERJ-SNVBAGLBSA-N 226.232 0.210 5 50 BCBA Cn1c(=O)c(=O)[nH]c2c(=O)oc3ccccc3c21 9605708 KCBXWPZKAQHYLO-UHFFFAOYSA-N 244.206 0.333 5 50 BCBA C[N+](C)(C)[C@]12CCCC[C@@H]1S(=O)(=O)C2 4973144 QOBVIUDAOJMQAC-UWVGGRQHSA-N 218.342 0.802 5 50 BCBA O=[N+]([O-])CC1(O)CCC2(CC1)OCCO2 44713435 HUDVAVREBBQAOY-UHFFFAOYSA-N 217.221 0.311 5 50 BCBA CONS(=O)(=O)c1ccc([N+](=O)[O-])cc1 70273212 ZXCCYNKVJANBQU-UHFFFAOYSA-N 232.217 0.435 5 50 BCBA Cn1c(=O)oc(=O)c2cc([N+](=O)[O-])ccc21 3199649 CUIMZCXFMNKTEE-UHFFFAOYSA-N 222.156 0.400 5 50 BCBA CN(C)/C=C/c1c[n+]([O-])ccc1[N+](=O)[O-] 35287573 FGBBTNYRURUPDI-HWKANZROSA-N 209.205 0.761 5 50 BCBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC2)cc1 261493422 ARCPXJGHOABUCN-UHFFFAOYSA-N 242.256 0.989 5 50 BCBA O=[N+]([O-])c1cc([S@@](=O)O)ccc1O 125976582 GBOGNOIDOXORLM-UHFFFAOYSA-N 203.175 0.881 5 50 BCBA Cn1c(N)nc(NC(C)(C)C)c([N+](=O)[O-])c1=O 4085848 FTUWORFBWQAQAX-UHFFFAOYSA-N 241.251 0.481 5 50 BCBA CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 4313584 SIAFPFYUZDZDQD-UHFFFAOYSA-N 230.245 0.845 5 50 BCBA in-vitro CCC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 1529575 UFAHZIUFPNSHSL-QMMMGPOBSA-O 218.273 0.489 5 50 BCBA endogenous,in-man NC(=O)CCc1cc2c(cc1[N+](=O)[O-])OCO2 71773343 XEQDGDRIBZKGNW-UHFFFAOYSA-N 238.199 0.741 5 50 BCBA CCCSc1nc(O)c([N+](=O)[O-])c(=O)[nH]1 95093213 PHMVMACIFWKESN-UHFFFAOYSA-N 231.233 0.886 5 50 BCBA CCN(CC)C(=O)Cn1cnc([N+](=O)[O-])n1 1061215 NQFRNQVFHZCIQQ-UHFFFAOYSA-N 227.224 0.055 5 50 BCBA CCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 1529541 QWYFHHGCZUCMBN-SECBINFHSA-O 232.300 0.879 5 50 BCBA endogenous,in-man O=C(O)CNC(=O)c1ccc([N+](=O)[O-])cc1 3841530 XCMUCRMMVDSVEL-UHFFFAOYSA-N 224.172 0.409 5 50 BCBA in-vitro O=C1Nc2cc([N+](=O)[O-])ccc2O[C@@H]1CCO 8873156 UUCMEEZSTSDRCR-SECBINFHSA-N 238.199 0.677 5 50 BCBA O=[N+]([O-])c1ccc(N2CCNCC2)c2nonc12 25757918 MVLWYDGJBGPXOL-UHFFFAOYSA-N 249.230 0.541 5 50 BCBA in-vitro COc1cc(C(=O)CN)c([N+](=O)[O-])cc1OC 96027744 MSBYILUIUQPUSH-UHFFFAOYSA-N 240.215 0.753 5 50 BCBA NS(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1 128954470 CDVJLNXXVCSKNN-UHFFFAOYSA-N 235.196 0.349 5 50 BCBA O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CO 99039 LCUYVSBMPMKCST-UHFFFAOYSA-N 222.156 0.141 5 50 BCBA O=C1NC(=O)/C(=C/c2ccccc2[N+](=O)[O-])N1 13546583 WRPWONRKBCAFDU-ALCCZGGFSA-N 233.183 0.775 5 50 BCBA O=C1N[S@@](=O)c2cc([N+](=O)[O-])ccc21 245238557 UNUPZDHGBOSWPV-AWEZNQCLSA-N 212.186 0.361 5 50 BCBA CNC(=O)COc1ccc([N+](=O)[O-])cc1 5060036 JPBSEPMSDPWLKY-UHFFFAOYSA-N 210.189 0.720 5 50 BCBA COCCCNC(=O)c1ccc([N+](=O)[O-])o1 2058263 OUZNQLSQWQPITG-UHFFFAOYSA-N 228.204 0.954 5 50 BCBA COc1ccc([N+](=O)[O-])cc1S(N)(=O)=O 22217267 DFYMHFOQTWMAFD-UHFFFAOYSA-N 232.217 0.251 5 50 BCBA COC(=O)c1cc(N)c(N)c([N+](=O)[O-])c1 147090303 PQPLMBAXAXYLST-UHFFFAOYSA-N 211.177 0.546 5 50 BCBA Nc1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1O 1683625 DQIVFTJHYKDOMZ-UHFFFAOYSA-N 234.189 0.129 5 50 BCBA in-vitro COC(=O)[C@@H](C)n1nc([N+](=O)[O-])cc1C 2537594 ZOTXPZYWJZCYOJ-ZCFIWIBFSA-N 213.193 0.834 5 50 BCBA O=[N+]([O-])c1ccc(N(CCO)CCO)cc1 5420807 CDEQUHCAZLSDTD-UHFFFAOYSA-N 226.232 0.386 5 50 BCBA CCOC(=O)COc1ncccc1[N+](=O)[O-] 5585676 XYNYNOQAHFLDQV-UHFFFAOYSA-N 226.188 0.932 5 50 BCBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCNCC1 91809 HIQSQKKHPVVUEJ-UHFFFAOYSA-N 235.243 0.640 5 50 BCBA in-vitro O=[N+]([O-])c1cn(CCN2CCOCC2)cn1 197378892 VDZAAIIQCHGJAD-UHFFFAOYSA-N 226.236 0.124 5 50 BCBA O=C(O)[C@H](O)c1cc(F)c(F)c([N+](=O)[O-])c1 258065207 AVGRNCGPYZXSNZ-SSDOTTSWSA-N 233.126 0.991 5 50 BCBA O=[N+]([O-])c1cccnc1N1CCOCCN1 289093776 KACHQTFMLDHTCB-UHFFFAOYSA-N 224.220 0.331 5 50 BCBA O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccnc1 1068138 GDSUCDPYSISPHB-UHFFFAOYSA-N 247.214 0.825 5 50 BCBA Cc1nn(C)c(SCC(=O)O)c1[N+](=O)[O-] 37504272 GQMVJWXTRWPZCF-UHFFFAOYSA-N 231.233 0.813 5 50 BCBA COc1ccc([N+](=O)[O-])cc1NS(C)(=O)=O 183471 ZYDWMQPKWZSZJG-UHFFFAOYSA-N 246.244 0.975 5 50 BCBA Nc1nc(O)c2c(N)c([N+](=O)[O-])ccc2n1 498049354 PCEUTCIRTZCFPY-UHFFFAOYSA-N 221.176 0.408 5 50 BCBA CN(C)S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 124766 NEDZHLALERRIPP-UHFFFAOYSA-N 245.260 0.813 5 50 BCBA O=C(O)c1c([N+](=O)[O-])cnn1CC(F)F 223250941 HJGFZMDFINFRDC-UHFFFAOYSA-N 221.119 0.755 5 50 BCBA Cc1ccc(S(=O)(=O)N[N+](C)(C)C)cc1 34521478 VJRABDDUVFIVDE-UHFFFAOYSA-N 229.325 0.895 5 50 BCBA O=[N+]([O-])c1ccc(NCCNCCO)cc1 3877841 IDMVTHVTTMCJEV-UHFFFAOYSA-N 225.248 0.589 5 50 BCBA C[C@H]1CC(=O)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] 120363 YPCIKCQPODDZAT-LYFYHCNISA-N 215.205 0.579 5 50 BCBA Cn1c(=O)c2nc3ccccc3nc2n(C)c1=O 291343 YEMGIXHLCZYUPK-UHFFFAOYSA-N 242.238 0.180 5 50 BCBA Cc1nc([N+](=O)[O-])c(NCCO)n1C 4342677 YRIUSIIUDRNFEG-UHFFFAOYSA-N 200.198 0.041 5 50 BCBA O=[N+]([O-])c1ccc(OC[C@@H](O)CO)cc1 5260535 YERGZLQRVWFVAZ-QMMMGPOBSA-N 213.189 0.327 5 50 BCBA in-vitro N[C@@H](Cc1cccc([N+](=O)[O-])c1)C(=O)O 1584113 YTHDRUZHNYKZGF-QMMMGPOBSA-N 210.189 0.549 5 50 BCBA in-vitro CCn1ncc([N+](=O)[O-])c1C(=O)N(C)C 2798553 VZKBHHVPROXEEJ-UHFFFAOYSA-N 212.209 0.513 5 50 BCBA NC(=O)c1sc2ncc([N+](=O)[O-])cc2c1N 4005548 ZUZRGXVIMFBFCV-UHFFFAOYSA-N 238.228 0.886 5 50 BCBA CN(C)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 97743311 MSXQRSWSBOLTQG-UHFFFAOYSA-N 245.260 0.308 5 50 BCBA in-vitro CS(=O)(=O)Nc1ccc(N)c([N+](=O)[O-])c1 39271105 COFHKEDMRYSCBR-UHFFFAOYSA-N 231.233 0.549 5 50 BCBA CN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 187086 URZRWUKJMJVQBP-UHFFFAOYSA-N 230.245 0.845 5 50 BCBA CC(=O)NCC(=O)c1ccc([N+](=O)[O-])cc1 1655487 JZXFEEAAHUBNQT-UHFFFAOYSA-N 222.200 0.914 5 50 BCBA O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCCC1 1067736 TUWWZBFZHUQMAI-UHFFFAOYSA-N 238.247 0.804 5 50 BCBA NC(=O)c1c(N)ncc2cc([N+](=O)[O-])ccc12 4786684 UFDHCFIEWMDVGE-UHFFFAOYSA-N 232.199 0.824 5 50 BCBA biogenic CCCc1nn(C)c(C(N)=O)c1[N+](=O)[O-] 168939 BMLPAJIEDKJHSB-UHFFFAOYSA-N 212.209 0.380 5 50 BCBA biogenic,in-vitro COCCNC(=O)c1cccc([N+](=O)[O-])c1 2055565 IXJSKLULBLVZNM-UHFFFAOYSA-N 224.216 0.971 5 50 BCBA in-vitro O=C(c1ccc([N+](=O)[O-])cn1)N1CCOCC1 95495968 PDTQCIBEKFNRBD-UHFFFAOYSA-N 237.215 0.462 5 50 BCBA in-vitro O=C(O)[C@@H](O)c1cc(F)cc([N+](=O)[O-])c1F 263623401 HCXXQHTXQYGGOF-ZETCQYMHSA-N 233.126 0.991 5 50 BCBA O=[N+]([O-])c1ccc(N2CCOCC2)cn1 4004127 JAJUAAWSTSRHAD-UHFFFAOYSA-N 209.205 0.826 5 50 BCBA in-vitro COc1cc([N+](=O)[O-])ccc1OCC(N)=O 4779455 DMZHFUIQNYZWLD-UHFFFAOYSA-N 226.188 0.468 5 50 BCBA CC(=O)NCC(=O)c1cccc([N+](=O)[O-])c1 34475436 ATKJOCFFJSSDBA-UHFFFAOYSA-N 222.200 0.914 5 50 BCBA COc1nc(N(C)C)nc(N)c1[N+](=O)[O-] 4085841 PATJRIOXKZSVOL-UHFFFAOYSA-N 213.197 0.042 5 50 BCBA Cc1cc2c(c([N+](=O)[O-])c1)OCC(=O)NC2 1426992 VVLQWQITYUYCME-UHFFFAOYSA-N 222.200 0.912 5 50 BCBA O=[N+]([O-])c1cnn(-c2cnc3ncnn3c2)c1 4809719 QLIWNJQRFXSJST-UHFFFAOYSA-N 231.175 0.218 5 50 BCBA COC(=O)c1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1 4342953 PXMURBICUSFNIK-UHFFFAOYSA-N 241.159 0.872 5 50 BCBA COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 5340833 JESBYSXPKUMFRV-UHFFFAOYSA-N 232.217 0.251 5 50 BCBA Cc1[nH]c(=O)c2c(c1[N+](=O)[O-])COC2=O 98849 LAKPWIPRNZPABO-UHFFFAOYSA-N 210.145 0.262 5 50 BCBA O=C1Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2N1 4369013 OHIHEPCCFSIXCK-UHFFFAOYSA-N 223.144 0.998 5 50 BCBA in-vitro COC(=O)COc1ccc(CO)cc1[N+](=O)[O-] 2529188 HNFVHTJFCGBTSS-UHFFFAOYSA-N 241.199 0.639 5 50 BCBA CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 186133 MQOIFAQSYCSLRF-UHFFFAOYSA-N 230.245 0.893 5 50 BCBA CS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 35333682 ZZNYBVMFYCWKIZ-UHFFFAOYSA-N 245.212 0.697 5 50 BCBA CN1CCN(c2ccc([N+](=O)[O-])cc2N)CC1 44560052 RRDHQVXJWUWDCY-UHFFFAOYSA-N 236.275 0.929 5 50 BCBA in-vitro COc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 22171811 MELAWMCOLMMBNG-UHFFFAOYSA-N 232.217 0.251 5 50 BCBA COc1ccc([N+](=O)[O-])cc1C(=O)C(=O)O 725262130 YEGIWSIODVKVFF-UHFFFAOYSA-N 225.156 0.871 5 50 BCBA COC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 2505983 QNNZLHWFLKRMPN-UHFFFAOYSA-N 227.220 0.971 5 50 BCBA O=C(c1ccc([N+](=O)[O-])o1)N1CCOCC1 4005877 ICWMNSOEVBHADK-UHFFFAOYSA-N 226.188 0.660 5 50 BCBA O=C(O)Cc1ccc(C(=O)O)cc1[N+](=O)[O-] 4369334 IKQGHWIOQHURNN-UHFFFAOYSA-N 225.156 0.920 5 50 BCBA in-vitro COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C(N)=O 3669637 ZAMOEFQZCCUBBM-UHFFFAOYSA-N 241.159 0.611 5 50 BCBA COC(=O)[C@H](C)Cn1nc([N+](=O)[O-])cc1C 2732112 NQFHYQHOYIOPHR-ZCFIWIBFSA-N 227.220 0.909 5 50 BCBA Cc1cc([N+](=O)[O-])cc(P(=O)(O)O)c1 3132639 SDCQMEQCOBYSQI-UHFFFAOYSA-N 217.117 0.706 5 50 BCBA NC(=O)NOCc1ccc([N+](=O)[O-])cc1 1384848 NIRQVZUQDNTANO-UHFFFAOYSA-N 211.177 0.695 5 50 BCBA COC(=O)c1ccc([N+](=O)[O-])c(CO)c1 145683633 UZYJUGUGWPESHO-UHFFFAOYSA-N 211.173 0.874 5 50 BCBA O=[N+]([O-])c1cccc(N2CNC=NC=N2)c1 22779318 YJHSJIDSIOTSMO-UHFFFAOYSA-N 219.204 0.934 5 50 BCBA CN(N)c1ccc([N+](=O)[O-])c2nonc12 14983413 GVUXVETWVIWDEV-UHFFFAOYSA-N 209.165 0.441 5 50 BCBA CC(=O)NCCNc1ccc([N+](=O)[O-])cn1 19852140 SBPYWTGBDFRJKI-UHFFFAOYSA-N 224.220 0.538 5 50 BCBA COc1cc(CC(=O)O)cc([N+](=O)[O-])c1O 34566642 ZGIZIBATHAJGOD-UHFFFAOYSA-N 227.172 0.936 5 50 BCBA CN1CCN(c2cccc(N)c2[N+](=O)[O-])CC1 116394079 XXUUIQMQPSMPJG-UHFFFAOYSA-N 236.275 0.929 5 50 BCBA COc1cc([N+](=O)[O-])ccc1P(=O)(O)O 1725593 BWDAHECHVSVBTM-UHFFFAOYSA-N 233.116 0.406 5 50 BCBA O=c1cc2ncc(-c3n[nH]cc3[N+](=O)[O-])cn2[nH]1 13114031 GRYUIUOQDGXQLC-UHFFFAOYSA-N 246.186 0.321 5 50 BCBA O=C1CNC(=O)N1c1cccc([N+](=O)[O-])c1 21085578 APYCGSAQAHNIQG-UHFFFAOYSA-N 221.172 0.651 5 50 BCBA in-vitro CON(C)C(=O)c1cccc([N+](=O)[O-])c1O 130285500 PYBBJOLVTUASBK-UHFFFAOYSA-N 226.188 0.934 5 50 BCBA O=c1[nH]c(O)nc2nc3ccccc3nc12 18804836 HAUGRYOERYOXHX-UHFFFAOYSA-N 214.184 0.572 5 50 BCBA biogenic,in-vivo COC(=O)c1nc(OC)ccc1[N+](=O)[O-] 95635134 DZOBPIKCXDRAJO-UHFFFAOYSA-N 212.161 0.785 5 50 BCBA in-vitro O=[N+]([O-])CS(=O)(=O)c1ccccc1 100026754 ADKLJTCVZHUANG-UHFFFAOYSA-N 201.203 0.695 5 50 BCBA O=C(O)c1ccc([N+](=O)[O-])cc1C(=O)O 157056 SLBQXWXKPNIVSQ-UHFFFAOYSA-N 211.129 0.991 5 50 BCBA biogenic,in-vitro CCOC(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1 2534334 ACEYKTXCOYTLGM-ZCFIWIBFSA-N 213.193 0.915 5 50 BCBA O=[N+]([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)O)c1 4794846 DHEZBDZMYYAOKR-UHFFFAOYSA-N 248.172 0.750 5 50 BCBA NC(=O)c1noc2cc([N+](=O)[O-])ccc12 3051224 GPMCCQPWDYRRIJ-UHFFFAOYSA-N 207.145 0.835 5 50 BCBA O=S1(=O)CC[N+]2(CC1)Cc1ccccc1C2 1776005253 FKZRVUZWKKYSFR-UHFFFAOYSA-N 238.332 0.945 5 50 BCBA NC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-] 1604804 IGLWGHRTQOYFDV-UHFFFAOYSA-N 210.145 0.392 5 50 BCBA in-vitro N[C@H](C(=O)O)[C@H](O)c1ccccc1[N+](=O)[O-] 3882982 HICBGALJKFSUJH-JGVFFNPUSA-N 226.188 0.040 5 50 BCBA CN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1 4725318 UGTXFEIKAVQIJR-UHFFFAOYSA-N 237.259 0.886 5 50 BCBA O=[N+]([O-])c1ccc(N2CCC(O)CC2)nc1 19735903 JHDAKLOFMCIERS-UHFFFAOYSA-N 223.232 0.951 5 50 BCBA O=C(O)c1cc([N+](=O)[O-])cc(C(=O)O)n1 79052243 BMTDAQKFBHYKLJ-UHFFFAOYSA-N 212.117 0.386 5 50 BCBA Nc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-] 4014040 RMVUGEPUWQMQPR-UHFFFAOYSA-N 227.132 0.783 5 50 BCBA in-vitro O=C(O)CCn1cc(Cl)c([N+](=O)[O-])n1 2549516 FSXPGXHGUGQSMX-UHFFFAOYSA-N 219.584 0.919 5 50 BCBA NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3875662 SPZGXONNVLTQDE-UHFFFAOYSA-N 236.636 0.896 5 50 BCBA O=[N+]([O-])c1ncn(Cc2ccccn2)n1 109358 YKJFLRUBBAMBON-UHFFFAOYSA-N 205.177 0.630 5 50 BCBA C[C@H](O)[C@H](O)NCc1ccc([N+](=O)[O-])cc1 4829030 BCYKZYMJWQJPDM-XVKPBYJWSA-N 226.232 0.384 5 50 BCBA O=[N+]([O-])c1cc[n+]([O-])cc1N1CCCC1 137078369 QWJJZEGAFRUEAH-UHFFFAOYSA-N 209.205 0.828 5 50 BCBA Cc1cc(C(=O)Nn2cnnc2)ccc1[N+](=O)[O-] 231404 IIBJJZSBFKQGOA-UHFFFAOYSA-N 247.214 0.879 5 50 BCBA NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 22515119 AJBITZYPLDRBOE-UHFFFAOYSA-N 216.218 0.383 5 50 BCBA in-vitro Cc1c(Cn2cc([N+](=O)[O-])cn2)cnn1C 2538862 MCLOQNDCZDEZIZ-UHFFFAOYSA-N 221.220 0.882 5 50 BCBA O=[N+]([O-])c1cccc(S(=O)(=O)N2CC2)c1 4566193 VCUCDKQRUFADOG-UHFFFAOYSA-N 228.229 0.599 5 50 BCBA N[C@H](C(=O)O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4795543 INIGODASXCUILV-ZETCQYMHSA-N 241.159 0.587 5 50 BCBA O=C(Nn1cnnc1)c1cccc([N+](=O)[O-])c1 368767 NXIBPLVJFDWATM-UHFFFAOYSA-N 233.187 0.570 5 50 BCBA O=CN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 19635909 BHXKGHHMCAUTAT-UHFFFAOYSA-N 249.270 0.869 5 50 BCBA O=C(O)[C@@H](O)c1cc(F)c(F)c([N+](=O)[O-])c1 258065209 AVGRNCGPYZXSNZ-ZETCQYMHSA-N 233.126 0.991 5 50 BCBA CC(C)(C)OC(=O)N1CC(O)(C[N+](=O)[O-])C1 72267052 DUYWGUJDIRKARQ-UHFFFAOYSA-N 232.236 0.245 5 50 BCBA in-vitro CS(=O)(=O)c1ccc([N+](=O)[O-])cc1C=O 95218036 BDHKAEHESAVNOE-UHFFFAOYSA-N 229.213 0.811 5 50 BCBA in-vitro Cc1ncc([N+](=O)[O-])n1CC1OCCO1 133452683 ANVUKJOUPWJLIF-UHFFFAOYSA-N 213.193 0.473 5 50 BCBA COC(=O)c1cnc(OC)c([N+](=O)[O-])c1 127685 YVGHVJUGJZGYPW-UHFFFAOYSA-N 212.161 0.785 5 50 BCBA NC(=O)c1cccc([N+](=O)[O-])c1C(=O)O 2171641 QYLIVYPDIARSHA-UHFFFAOYSA-N 210.145 0.392 5 50 BCBA COC(=O)c1ccc(CO)c([N+](=O)[O-])c1 44198609 VJFYRPYYFMEHPF-UHFFFAOYSA-N 211.173 0.874 5 50 BCBA biogenic O=C(Nc1nnn[nH]1)c1ccccc1[N+](=O)[O-] 6473641 HIKKGCYAILVAHC-UHFFFAOYSA-N 234.175 0.360 5 50 BCBA NC(=O)c1c(N)cc([N+](=O)[O-])cc1[N+](=O)[O-] 2185838 DUENZDMSNPGBEE-UHFFFAOYSA-N 226.148 0.184 5 50 BCBA CCN(CC)c1ncc([N+](=O)[O-])cc1C(N)=O 19732741 XSVYDMUHWIZLIF-UHFFFAOYSA-N 238.247 0.935 5 50 BCBA Cc1nn(CC(=O)NC(C)C)c(C)c1[N+](=O)[O-] 1070571 IYPYUAVHVLCQFB-UHFFFAOYSA-N 240.263 0.933 5 50 BCBA O=C1N[C@@H]([C@H](O)c2ccc([N+](=O)[O-])cc2)CO1 34409424 CGFNTQLZINKEQB-RKDXNWHRSA-N 238.199 0.737 5 50 BCBA CS(=O)(=O)Nc1ncccc1[N+](=O)[O-] 216702942 DCLURAATCADOIR-UHFFFAOYSA-N 217.206 0.361 5 50 BCBA C[C@@H]1C[N+](C)(C)C[C@@H]1CS(=O)(=O)O 5530557 GVMSSDONHVHGNP-HTQZYQBOSA-O 208.303 0.217 5 50 BCBA Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[S@@](=O)C1 309498863 KZXLFGDWDUJING-XABCROFNSA-N 244.276 0.261 5 50 BCBA COC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1 437761 XAELFDMNATUYGP-UHFFFAOYSA-N 238.199 0.498 5 50 BCBA Cn1cc(Cn2cccc([N+](=O)[O-])c2=O)cn1 225533709 CAIQYWNRBBZDAM-UHFFFAOYSA-N 234.215 0.538 5 50 BCBA O=[N+]([O-])c1ccccc1NCCn1ncnn1 352045632 QGOADHLJAYLFED-UHFFFAOYSA-N 234.219 0.693 5 50 BCBA COC(=O)[C@H](N)Cc1ccc(O)c([N+](=O)[O-])c1 226226 WMZFQRWZCGEEOA-SSDOTTSWSA-N 240.215 0.343 5 50 BCBA O=[N+]([O-])c1ccc(CN2CC(O)C2)cc1 70917040 UJEJTDCCIWWPBL-UHFFFAOYSA-N 208.217 0.771 5 50 BCBA CS(=O)(=O)NCCc1ccc([N+](=O)[O-])cc1 6019459 NJCUPWWIUJMALZ-UHFFFAOYSA-N 244.272 0.687 5 50 BCBA CCCCS(=O)(=O)CC[N+](C)(C)C 71786987 CAFRYVHHJCHTGN-UHFFFAOYSA-N 208.347 0.908 5 50 BCBA Cc1nn([C@@H]2CCNC2=O)cc1[N+](=O)[O-] 408155487 UZDPGXBHRNRDMB-ZCFIWIBFSA-N 210.193 0.161 5 50 BCBA COC[C@H](C)Nc1ncnc(N)c1[N+](=O)[O-] 3912495 SICNPRUADPRLNB-YFKPBYRVSA-N 227.224 0.414 5 50 BCBA CCN(c1ncccc1[N+](=O)[O-])S(C)(=O)=O 217048237 SMEIRBBVPJCFBA-UHFFFAOYSA-N 245.260 0.776 5 50 BCBA Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)O 4365812 LTASFWDWBYFZQQ-UHFFFAOYSA-N 218.190 0.424 5 50 BCBA in-vitro O=[N+]([O-])C[C@]12O[C@H]3[C@@H]4[C@H]5C[C@H]([C@@H]41)[C@@H]1[C@@H]5[C@@H]3[C@@H]12 239378292 ONOSZFXFPMJTBZ-NWRDUWNISA-N 219.240 0.788 5 50 BCBA NS(=O)(=O)c1cc(F)c([N+](=O)[O-])cc1F 263623942 LZSZLLLGEWKBCJ-UHFFFAOYSA-N 238.171 0.520 5 50 BCBA CS(=O)(=O)Nc1cccnc1[N+](=O)[O-] 196212192 MUHOSHAETPYMIB-UHFFFAOYSA-N 217.206 0.361 5 50 BCBA CN1CCN(c2ccc([N+](=O)[O-])c(N)c2)CC1 3877863 MWLBMGPQZJDFKZ-UHFFFAOYSA-N 236.275 0.929 5 50 BCBA in-vitro C[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])cc1 10774536 DJKCJZWSXXVJRE-ZETCQYMHSA-N 224.216 0.705 5 50 BCBA O=C(O)COc1cc(CO)ccc1[N+](=O)[O-] 670429347 YPHQATUFVKOHGC-UHFFFAOYSA-N 227.172 0.551 5 50 BCBA O=C(O)CN1Cc2ccc([N+](=O)[O-])cc2C1=O 266929 CGLRVRCSFIJQGS-UHFFFAOYSA-N 236.183 0.635 5 50 BCBA O=[N+]([O-])c1ccc(N2CCNCC2)cn1 20282959 UBCDLQPOKISIDX-UHFFFAOYSA-N 208.221 0.399 5 50 BCBA CS(=O)(=O)N1CCc2cc([N+](=O)[O-])ccc21 4524403 NRBRMCAQIDGPNX-UHFFFAOYSA-N 242.256 0.917 5 50 BCBA O=c1[nH]c(=O)c2cc([N+](=O)[O-])ccc2[nH]1 330539 TWJZVXRMXVNSIE-UHFFFAOYSA-N 207.145 0.125 5 50 BCBA in-vitro COCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 2755589 PEWDUUWAKMTEFC-UHFFFAOYSA-N 238.243 0.900 5 50 BCBA Cc1cc(C(=O)NCCO)ccc1[N+](=O)[O-] 2938221 NDGDSOBTOQTAPO-UHFFFAOYSA-N 224.216 0.625 5 50 BCBA C[C@H](O)CNCCNc1ccc([N+](=O)[O-])cc1 4045475 DCCCLSPCSLEACH-VIFPVBQESA-N 239.275 0.977 5 50 BCBA CN(CCO)c1ccc([N+](=O)[O-])cc1C(N)=O 226818207 YAXIHGYVPVMHKW-UHFFFAOYSA-N 239.231 0.122 5 50 BCBA C[N+](C)(C)[C@@]12CCCC[C@H]1S(=O)(=O)C2 4973145 QOBVIUDAOJMQAC-NXEZZACHSA-N 218.342 0.802 5 50 BCBA O=C1O[C@H]2[C@H]3[C@H]4[C@H]5[C@H]3[C@H]1[C@@H]1[C@@H]2[C@@H]4[C@H]([N+](=O)[O-])[C@H]51 257358507 UXFUQCVDTNBUBL-ACWJXZFHSA-N 233.223 0.171 5 50 BCBA CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 305118 DLJPYODODWSDBI-UHFFFAOYSA-N 216.218 0.503 5 50 BCBA in-vitro Nc1nc(N)c2cc([N+](=O)[O-])ccc2n1 4243021 YZMJNZRTRWPJFY-UHFFFAOYSA-N 205.177 0.702 5 50 BCBA CS(=O)(=O)c1cc(C(=O)O)ccc1[N+](=O)[O-] 95217923 MXGMNAUBXXGJMP-UHFFFAOYSA-N 245.212 0.697 5 50 BCBA CCCCOC[C@H]1C[N+]23CCO[B-]2(OCC3)O1 195829825 PZXCSRDDHIXQML-PNESKVBLSA-N 243.112 0.515 5 50 BCBA O=C(O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 522758 PIXUDTSYBZWQLQ-UHFFFAOYSA-N 248.198 0.933 5 50 BCBA CN(C)/C=C\c1c[n+]([O-])ccc1[N+](=O)[O-] 72427633 FGBBTNYRURUPDI-HYXAFXHYSA-N 209.205 0.761 5 50 BCBA in-vitro Cn1c(=O)n(C)c2c([N+](=O)[O-])nccc21 197651 GQHCAZWFYKUUEF-UHFFFAOYSA-N 208.177 0.180 5 50 BCBA O=[N+]([O-])c1ccccc1S(=O)(=O)O 2041231 HWTDMFJYBAURQR-UHFFFAOYSA-N 203.175 0.842 5 50 BCBA in-vitro O=[N+]([O-])c1no[n+]([O-])c1-c1ccccc1 4955491 XIEWBGZOLGSTEO-UHFFFAOYSA-N 207.145 0.883 5 50 BCBA Cn1ncc([N+](=O)[O-])c1/C=C/N1CCOCC1 49570619 KDURESZCUMGJOR-NSCUHMNNSA-N 238.247 0.631 5 50 BCBA O=C(Cn1cnnn1)Nc1cccc([N+](=O)[O-])c1 307463 IWGZRESKZKWXII-UHFFFAOYSA-N 248.202 0.220 5 50 BCBA O=[N+]([O-])c1ccc(O)c(S(=O)(=O)O)c1 1724272 AFVVQKCFSIFDER-UHFFFAOYSA-N 219.174 0.547 5 50 BCBA OCC[N@@+]12CCCC[C@@H]1[C@H](CO)CCC2 245297228 QVZWEBDEFQVARW-XQQFMLRXSA-N 214.329 0.750 5 50 BCBA biogenic COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 1737586 UMELTKSLWXJXNZ-UHFFFAOYSA-N 242.143 0.995 5 50 BCBA in-vitro O=C(NCCCO)c1cccc([N+](=O)[O-])c1 4955798 KVYOMCQNUAPHBB-UHFFFAOYSA-N 224.216 0.707 5 50 BCBA COC[C@@H](O)CSc1nc(C)[nH]c1[N+](=O)[O-] 13122931 WKFNVEYGFFSVQG-ZCFIWIBFSA-N 247.276 0.726 5 50 BCBA O=C(O)[C@@H](O)c1cc(F)c([N+](=O)[O-])c(F)c1 263623527 IFXUQTXIPMOXMX-ZETCQYMHSA-N 233.126 0.991 5 50 BCBA CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 5211163 AXEHDVUAWILBRN-UHFFFAOYSA-N 216.218 0.966 5 50 BCBA in-vitro Nc1ncnc(NC[C@H]2CCCO2)c1[N+](=O)[O-] 3912528 WHRFTAISDOZEOQ-ZCFIWIBFSA-N 239.235 0.558 5 50 BCBA Cc1[nH]nc(SCC(=O)O)c1[N+](=O)[O-] 5800363 JGDROEATVKVVNF-UHFFFAOYSA-N 217.206 0.803 5 50 BCBA Nc1nc(-c2ccccc2[N+](=O)[O-])n[nH]1 6557523 OXVOSTFDRAAYSZ-UHFFFAOYSA-N 205.177 0.962 5 50 BCBA COC(=O)CCNc1ncccc1[N+](=O)[O-] 37485724 IEMSOECFYUXXLD-UHFFFAOYSA-N 225.204 0.965 5 50 BCBA in-vitro C[C@](N)(C(=O)O)[C@@H](O)c1ccc([N+](=O)[O-])cc1 322432 CKVZILNVXVAJQX-WCBMZHEXSA-N 240.215 0.430 5 50 BCBA O=C1NCCNc2c1cccc2[N+](=O)[O-] 6732061 ZSLHWCFNYIEQJJ-UHFFFAOYSA-N 207.189 0.750 5 50 BCBA in-vitro O=C(O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 2508557 ZVCHVNGMLDMGIN-UHFFFAOYSA-N 234.171 0.874 5 50 BCBA Cc1nnnn1C[C@H](O)c1cccc([N+](=O)[O-])c1 193412397 TWMBSOWRMMXTIT-JTQLQIEISA-N 249.230 0.623 5 50 BCBA CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 61043 JBCHWGTZAAZJKG-UHFFFAOYSA-N 206.157 0.821 5 50 BCBA biogenic,in-vitro COc1nc(OC)c([N+](=O)[O-])nc1[N+](=O)[O-] 4343287 QAIYTLSIVZELOS-UHFFFAOYSA-N 230.136 0.310 5 50 BCBA O=[N+]([O-])c1cncn1CCN1CCOCC1 26167988 MDJFHRLTPRPZLY-UHFFFAOYSA-N 226.236 0.124 5 50 BCBA investigational O=C(O)[C@@H](O)c1c(F)cc(F)cc1[N+](=O)[O-] 263623906 LRYXDPIUPMAISH-ZETCQYMHSA-N 233.126 0.991 5 50 BCBA CN1CCN(Cc2ccc([N+](=O)[O-])o2)CC1 237666 JFHFZTUSQAMAPJ-UHFFFAOYSA-N 225.248 0.935 5 50 BCBA O=[N+]([O-])c1ccc(O)c(OS(=O)(=O)O)c1 2046903 XMCCOOONGGUOLA-UHFFFAOYSA-N 235.173 0.482 5 50 BCBA in-vivo O=C(O)C1(c2ccc([N+](=O)[O-])cc2)COC1 95630854 BWZUDZZWFYBRSQ-UHFFFAOYSA-N 223.184 0.947 5 50 BCBA C[N@+]1(CCO)C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 252441380 SXZDIEOMZTVPMJ-HSMVNMDESA-N 249.334 0.404 5 50 BCBA biogenic O=C(Cn1cnc([N+](=O)[O-])n1)NC1CCCC1 53325 FYURTHVEGXRKAG-UHFFFAOYSA-N 239.235 0.245 5 50 BCBA O=c1[nH]nc([N+](=O)[O-])c(Cl)c1Cl 2561312 SCNATHDZNWMBOX-UHFFFAOYSA-N 209.976 0.985 5 50 BCBA N[C@H](C(=O)O)[C@@H](O)c1ccccc1[N+](=O)[O-] 1797311 HICBGALJKFSUJH-YUMQZZPRSA-N 226.188 0.040 5 50 BCBA COC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C 12396736 ATSYZMHCCKREQD-UHFFFAOYSA-N 233.611 0.926 5 50 BCBA CCOC(=O)[C@H](C)n1cc([N+](=O)[O-])cn1 2731925 ACEYKTXCOYTLGM-LURJTMIESA-N 213.193 0.915 5 50 BCBA COC[C@H](O)CSc1nc(C)[nH]c1[N+](=O)[O-] 13122932 WKFNVEYGFFSVQG-LURJTMIESA-N 247.276 0.726 5 50 BCBA CO[C@@H]1CC[N+]2(CCS(=O)(=O)CC2)[C@H](C)C1 1775988848 MFSRCXWBYLBIRF-GHMZBOCLSA-N 248.368 0.429 5 50 BCBA CC(C)(C)OC(=O)N1CC([N+](=O)[O-])C1 95740518 NWGAORDHJOIORF-UHFFFAOYSA-N 202.210 0.882 5 50 BCBA in-vitro O=C(O)Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 1761868 MLVYQQLUGFSXQH-UHFFFAOYSA-N 242.143 0.836 5 50 BCBA biogenic,in-vitro COC[C@](C)([N+](=O)[O-])C(C)(C)[N+](=O)[O-] 25625737 LFXNWDGMWNVBHF-ZETCQYMHSA-N 206.198 0.724 5 50 BCBA COC(=O)CSc1n[nH]c(C)c1[N+](=O)[O-] 34927096 JSUQLACDAOHKPV-UHFFFAOYSA-N 231.233 0.891 5 50 BCBA O=[N+]([O-])c1ccccc1N1CCN[C@H](CO)C1 952994215 NKCZIXAVDXPFNK-VIFPVBQESA-N 237.259 0.365 5 50 BCBA Nc1cc(N2CCNCC2)ccc1[N+](=O)[O-] 3877854 GKHFASZRZGVHRT-UHFFFAOYSA-N 222.248 0.587 5 50 BCBA in-vitro COc1ccc(C[C@@H](N)C(=O)O)cc1[N+](=O)[O-] 1783481 MZNPRACFHIBIGU-SSDOTTSWSA-N 240.215 0.558 5 50 BCBA O=C1CC(c2ccc([N+](=O)[O-])cc2)=NN1 100641498 JKHLBOGGRVDLGP-UHFFFAOYSA-N 205.173 0.819 5 50 BCBA CC[C@](C)(NC(=O)[C@H]1C[C@H]1[N+](=O)[O-])C(=O)OC 248229245 KJECIIZOKMHFCI-PJKMHFRUSA-N 244.247 0.110 5 50 BCBA COC(=O)[C@H](C)Cn1cc([N+](=O)[O-])cn1 2534361 DAAZJGICJDQDDL-ZCFIWIBFSA-N 213.193 0.600 5 50 BCBA O=[N+]([O-])c1ccc(OCCO)c(OCCO)c1 2024038 DAESZPUCWAQPBS-UHFFFAOYSA-N 243.215 0.337 5 50 BCBA biogenic Cc1cc(C)n2nc(N)c([N+](=O)[O-])c2n1 4612937 IZSWMQUXXZAZOR-UHFFFAOYSA-N 207.193 0.837 5 50 BCBA N[C@@H](C(=O)O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4795544 INIGODASXCUILV-SSDOTTSWSA-N 241.159 0.587 5 50 BCBA COc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] 31777068 AJRGEVFKZSWGFX-UHFFFAOYSA-N 221.172 0.840 5 50 BCBA Nc1ncn(C(=O)c2cccc([N+](=O)[O-])c2)n1 462446 NPXDAEZIARCUHI-UHFFFAOYSA-N 233.187 0.457 5 50 BCBA O=[N+]([O-])c1cc(F)c(NC[C@H](O)CO)c(F)c1 231630794 OVESAPVDFXYQBY-LURJTMIESA-N 248.185 0.638 5 50 BCBA O=C(O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 120070 PDTLZWITKYGYDN-UHFFFAOYSA-N 238.199 0.799 5 50 BCBA in-vitro CC(=O)n1c(=O)n(C)c2ccc([N+](=O)[O-])cc21 310336 LKYXVBGTTQGTEE-UHFFFAOYSA-N 235.199 0.908 5 50 BCBA NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 3851727 VYLIVAAMSLPRIS-UHFFFAOYSA-N 216.218 0.383 5 50 BCBA biogenic,in-vitro Cc1ccc([N+](=O)[O-])cc1S(N)(=O)=O 3865903 CLXWMMGXFSZUNP-UHFFFAOYSA-N 216.218 0.551 5 50 BCBA in-vitro O=C1[C@@H]2C([N+](=O)[O-])[C@H]2C(=O)N1Cc1ccccc1 101172788 WQIUUYJXPBMPQC-IUCAKERBSA-N 246.222 0.447 5 50 BCBA O=C1Nc2ccc([N+](=O)[O-])cc2C12OCCO2 4105368 ZOVHMRBVMUOGSF-UHFFFAOYSA-N 236.183 0.747 5 50 BCBA Cc1cc([N+](=O)[O-])nn1C[C@@H](C)C(=O)O 2732054 KMZCUTVZUHLKMT-RXMQYKEDSA-N 213.193 0.820 5 50 BCBA Nc1ncnc(NCc2ccncc2)c1[N+](=O)[O-] 5065130 QIVKEFGTOUFERT-UHFFFAOYSA-N 246.230 0.974 5 50 BCBA O=C1NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)N1 13139309 UXLLZDWZJYMJKG-VMPITWQZSA-N 233.183 0.775 5 50 BCBA NCCNC(=O)c1cc([N+](=O)[O-])ccc1F 37902402 MCGZMECFYLSKJG-UHFFFAOYSA-N 227.195 0.422 5 50 BCBA CN(C)S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 34101818 WSOMANNJPFZGIH-UHFFFAOYSA-N 246.244 0.551 5 50 BCBA O=[N+]([O-])c1cc[n+]([O-])cc1Br 1792794 YZQMKADIENBVLH-UHFFFAOYSA-N 218.994 0.991 5 50 BCBA in-vitro C[C@@H]1CC(=O)[C@H](CC(=O)O)[C@H]1C[N+](=O)[O-] 2944600 YPCIKCQPODDZAT-QYNIQEEDSA-N 215.205 0.579 5 50 BCBA biogenic,in-vitro CNc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 4014427 ILIUZQHDWNJBGW-UHFFFAOYSA-N 240.175 0.644 5 50 BCBA O=[N+]([O-])c1cc[n+]([O-])cc1N1CCOCC1 230552683 HWWWSEDRYKOLCC-UHFFFAOYSA-N 225.204 0.065 5 50 BCBA CS(=O)(=O)c1ccc([N+](=O)[O-])cc1O 95495694 HDHMWKLBELIIAO-UHFFFAOYSA-N 217.202 0.704 5 50 BCBA O=C(O)Cn1cc([N+](=O)[O-])c(C(F)F)n1 223251154 UPFRECIAPNFUAB-UHFFFAOYSA-N 221.119 0.814 5 50 BCBA CC(=O)N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 99400 BDARQNMFLZLTSL-UHFFFAOYSA-N 234.167 0.737 5 50 BCBA O=C(O)[C@H](O)c1c(F)cc([N+](=O)[O-])cc1F 263623720 KAIXPYDQMMYQOV-SSDOTTSWSA-N 233.126 0.991 5 50 BCBA O=C1N[S@](=O)c2cc([N+](=O)[O-])ccc21 245238558 UNUPZDHGBOSWPV-CQSZACIVSA-N 212.186 0.361 5 50 BCBA CN1CC[C@@](Br)([N+](=O)[O-])C1 958528309 MERCNXKDNSATED-RXMQYKEDSA-N 209.043 0.690 5 50 BCBA Cc1cc(=O)n2ccc([N+](=O)[O-])c(O)c2n1 300826 YACWMJDBGIHQCH-UHFFFAOYSA-N 221.172 0.617 5 50 BCBA C[N+](C)(C)CCON1C(=O)c2ccccc2C1=O 406271 BNFSJOFLMRFOLS-UHFFFAOYSA-N 249.290 0.920 5 50 BCBA CCOC(=O)c1nc2ncc([N+](=O)[O-])cn2n1 1230169 IFAAKHLFOBVSRR-UHFFFAOYSA-N 237.175 0.209 5 50 BCBA O=C1COCCN1c1ccc([N+](=O)[O-])cc1 63110887 OWMGEFWSGOTGAU-UHFFFAOYSA-N 222.200 0.958 5 50 BCBA in-vitro O=[N+]([O-])c1ncn(CCN2CCCCC2)n1 359012344 MAOMBORSXIYQTG-UHFFFAOYSA-N 225.252 0.672 5 50 BCBA Cc1[nH]c(=O)c(C(=O)O)c(C)c1[N+](=O)[O-] 140411 GJSAGPKAERRLKB-UHFFFAOYSA-N 212.161 0.598 5 50 BCBA COCCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 72446992 LWHCNUGGVWDHPB-LLVKDONJSA-N 240.259 0.864 5 50 BCBA O=C(Cn1cnc([N+](=O)[O-])c1)N1CCCCC1 2917026 PJVFFXWJGVWUIW-UHFFFAOYSA-N 238.247 0.804 5 50 BCBA Cc1cc(C(=O)n2cnnc2N)ccc1[N+](=O)[O-] 467423 ZFXNGUKUQBAKCR-UHFFFAOYSA-N 247.214 0.765 5 50 BCBA O=C1N[C@H]([C@@H](O)c2ccc([N+](=O)[O-])cc2)CO1 169541156 CGFNTQLZINKEQB-IUCAKERBSA-N 238.199 0.737 5 50 BCBA C[C@H](C(=O)n1cccn1)n1cc([N+](=O)[O-])cn1 1422067 UDTKUEBCPIYCKK-SSDOTTSWSA-N 235.203 0.889 5 50 BCBA O=c1c2ccccc2nc2ccc3nnnn3n12 4771098 YEGYCTPHNUGESR-UHFFFAOYSA-N 238.210 0.285 5 50 BCBA Cn1c(=O)n(C)c2cc([N+](=O)[O-])ccc21 73664 HGEXWKZJLRGOOB-UHFFFAOYSA-N 207.189 0.785 5 50 BCBA in-vitro COC(=O)C[C@@H](CC[N+](=O)[O-])C(=O)OC 1857796739 KJTDRYWLKFVPES-ZCFIWIBFSA-N 219.193 0.006 5 50 BCBA O=C1N[C@H]([C@H](O)c2ccc([N+](=O)[O-])cc2)CO1 169541167 CGFNTQLZINKEQB-DTWKUNHWSA-N 238.199 0.737 5 50 BCBA N=c1c[n+](CCc2ccc([N+](=O)[O-])cc2)[nH]o1 6883162 HUSXSGHAZVQHLT-UHFFFAOYSA-N 235.223 0.526 5 50 BCBA NC(=S)NCCc1ccc([N+](=O)[O-])cc1 71772963 LWTRUICAPOUZQG-UHFFFAOYSA-N 225.273 0.971 5 50 BCBA Cc1cc(C)n(C(=O)Cn2ccc([N+](=O)[O-])n2)n1 1069358 VSCNZQQBRVNYLT-UHFFFAOYSA-N 249.230 0.945 5 50 BCBA C[C@@](N)(Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O 71773835 BNAMVZKDPUIYLG-SNVBAGLBSA-N 240.215 0.645 5 50 BCBA C[N+]1([O-])CC[N+]([O-])(C2CCNCC2)CC1 231433132 QWSFTQOGNXLFJU-UHFFFAOYSA-N 215.297 0.011 5 50 BCBA COC(=O)c1ccc(OC)c([N+](=O)[O-])n1 91297586 OCQAYEZVBSVDLF-UHFFFAOYSA-N 212.161 0.785 5 50 BCBA in-vitro O=[N+]([O-])c1cnn(C2CCS(=O)(=O)CC2)c1 146704262 WHPNXSNFKAVLJP-UHFFFAOYSA-N 245.260 0.541 5 50 BCBA CCOC(=O)C(=O)Nc1ncc([N+](=O)[O-])s1 4860531 QSWNJRYMPUDHGF-UHFFFAOYSA-N 245.216 0.553 5 50 BCBA NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 5553438 BSZQFSAYLOJFHR-UHFFFAOYSA-N 220.181 0.381 5 50 BCBA in-vitro COc1nn(CCCN)cc1[N+](=O)[O-] 12357752 PBLXFPJYQILWOA-UHFFFAOYSA-N 200.198 0.149 5 50 BCBA O=[N+]([O-])c1ccc(C(=S)NCCO)cc1 45068189 BNYDTSLEYCFLDU-UHFFFAOYSA-N 226.257 0.852 5 50 BCBA Cc1cn([C@H]2CCN(C)C2=O)nc1[N+](=O)[O-] 281244805 UEYDWRWOJPNXMX-ZETCQYMHSA-N 224.220 0.503 5 50 BCBA NC(=O)c1cc([N+](=O)[O-])cc(F)c1F 72797093 DIAZKPONYLLKQD-UHFFFAOYSA-N 202.116 0.972 5 50 BCBA CCn1c(C)c([N+](=O)[O-])c(=O)n(CC)c1=O 2172992 DQAWDNPKOKNXLO-UHFFFAOYSA-N 227.220 0.266 5 50 BCBA COCCNC[C@H](O)c1cccc([N+](=O)[O-])c1 72446991 LWHCNUGGVWDHPB-NSHDSACASA-N 240.259 0.864 5 50 BCBA O=[N+]([O-])c1ccc(F)c(-c2nnn[nH]2)c1 40350944 FPUYMBWDUWZGHY-UHFFFAOYSA-N 209.140 0.914 5 50 BCBA in-vitro COc1cc([N+](=O)[O-])ccc1-n1cnnn1 274985 PUUBTZPNPWNQHW-UHFFFAOYSA-N 221.176 0.579 5 50 BCBA O=C(O)[C@@H]1[C@@H]2C[C@@H]2CN1c1ncccc1[N+](=O)[O-] 4108299 BIWRJKPISBSCHS-BHNWBGBOSA-N 249.226 0.899 5 50 BCBA O=[N+]([O-])C1(CO)COC(c2ccccc2)OC1 122633 GSYGDSOGHWKWBS-UHFFFAOYSA-N 239.227 0.740 5 50 BCBA CC(=O)N/C(=C/c1ccc([N+](=O)[O-])cc1)C(N)=O 458949 NYBIPZWTUIUHQR-UXBLZVDNSA-N 249.226 0.557 5 50 BCBA C[N+](C)(C)CCOCCOCC[N+](C)(C)C 1851760 BFJORURXTHFTPC-UHFFFAOYSA-N 234.384 0.432 5 50 BCBA Cc1cc([N+](=O)[O-])nn1CC(=O)NC(C)C 1069113 XKHSWYUTMDLQEW-UHFFFAOYSA-N 226.236 0.624 5 50 BCBA CON(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1678446 ZCNOWADAAVTGCH-UHFFFAOYSA-N 246.244 0.777 5 50 BCBA CC(C)C(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 5359087 LRCNOZRCYBNMEP-SECBINFHSA-O 232.300 0.735 5 50 BCBA endogenous,in-man COC(=O)Cc1ccc(N)c([N+](=O)[O-])c1 85224863 KMSVFPDFFCHFRV-UHFFFAOYSA-N 210.189 0.893 5 50 BCBA in-vitro O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCCC1 126521 VEYAPFSMPGWTMG-UHFFFAOYSA-N 238.247 0.804 5 50 BCBA CCOC(=O)c1cc([N+](=O)[O-])c[nH]c1=O 38537054 FRPVIVOIVRFMPE-UHFFFAOYSA-N 212.161 0.460 5 50 BCBA C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O 208899 CDWLBVRKGYDUCH-LURJTMIESA-N 238.199 0.625 5 50 BCBA COc1cc(C(=O)C(=O)O)cc([N+](=O)[O-])c1 725261687 BUIHCGNYSXYUQD-UHFFFAOYSA-N 225.156 0.871 5 50 BCBA O=C(O)C1(c2cccc([N+](=O)[O-])c2)COC1 95630853 MWXBBJGVGNFHQM-UHFFFAOYSA-N 223.184 0.947 5 50 BCBA Cc1ccc(S(=O)(=O)NN)cc1[N+](=O)[O-] 3885830 GNPGZKATRFZRMU-UHFFFAOYSA-N 231.233 0.055 5 50 BCBA in-vitro O=[N+]([O-])c1cc[n+]([O-])c2[nH]cc([N+](=O)[O-])c12 309381297 YCXOEFLBTWYYSM-UHFFFAOYSA-N 224.132 0.618 5 50 BCBA C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O 208901 CDWLBVRKGYDUCH-ZCFIWIBFSA-N 238.199 0.625 5 50 BCBA CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 4699496 YNPGXKCSXPQMET-UHFFFAOYSA-N 237.215 0.669 5 50 BCBA O=CNc1cc([N+](=O)[O-])ccc1C(=O)O 2159899 UCTBZLSBPLZVRV-UHFFFAOYSA-N 210.145 0.861 5 50 BCBA O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2O 4126179 HZZFBUZSKAVIOV-UHFFFAOYSA-N 228.185 0.602 5 50 BCBA biogenic,in-vitro O=C1NC(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)N1 13546537 BDFAXSQHSAMCFA-ZZXKWVIFSA-N 249.182 0.481 5 50 BCBA Cc1nn(C(C)(C)C(N)=O)cc1[N+](=O)[O-] 139926320 WJDDVKQDZUPKRU-UHFFFAOYSA-N 212.209 0.320 5 50 BCBA O=[N+]([O-])c1ccccc1N1CCN[C@@H](CO)C1 952994214 NKCZIXAVDXPFNK-SECBINFHSA-N 237.259 0.365 5 50 BCBA CCn1nc([N+](=O)[O-])c(NC(C)(C)C)[n+]1[O-] 22342543 YJNKLCSIKGRCMG-UHFFFAOYSA-N 229.240 0.655 5 50 BCBA CCCCNC(=O)c1cc([N+](=O)[O-])[nH]n1 3833276 DHMSBHOASRAIOM-UHFFFAOYSA-N 212.209 0.848 5 50 BCBA COC(=O)/C(=C/N(C)C)n1cc([N+](=O)[O-])cn1 252486285 HKSDGOQJZLUDAM-VURMDHGXSA-N 240.219 0.324 5 50 BCBA Cc1cccc(-n2nc([N+](=O)[O-])c[n+]2[O-])c1 2879281 OWPYQLMRJPAHEF-UHFFFAOYSA-N 220.188 0.722 5 50 BCBA O=[N+]([O-])c1cccnc1N1CCC(O)CC1 19735904 IUWCLUATWALWKQ-UHFFFAOYSA-N 223.232 0.951 5 50 BCBA in-vitro N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O 43864 GTVVZTAFGPQSPC-QMMMGPOBSA-N 210.189 0.549 5 50 BCBA biogenic,in-vitro O=C(O)[C@H](O)c1cc(F)c([N+](=O)[O-])cc1F 263622781 AWNGVDZJAVCBJL-SSDOTTSWSA-N 233.126 0.991 5 50 BCBA COC[C@@H](C)Nc1ncnc(N)c1[N+](=O)[O-] 3912496 SICNPRUADPRLNB-RXMQYKEDSA-N 227.224 0.414 5 50 BCBA CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC 19994446 NMAGMLURYJERAC-UHFFFAOYSA-N 246.244 0.512 5 50 BCBA O=[N+]([O-])C[C@@]12O[C@@H]3[C@H]4[C@@H]1[C@@H]1[C@@H]5C[C@H]([C@@H]3[C@@H]52)[C@@H]41 239378290 ONOSZFXFPMJTBZ-MEPSXNPDSA-N 219.240 0.788 5 50 BCBA c1ccc2c(c1)[nH]c1nc3nnnn3nc12 121950 TUGGCCLOIIFIRO-UHFFFAOYSA-N 211.188 0.549 5 50 BCBA Cc1nn([C@H]2CCNC2=O)cc1[N+](=O)[O-] 408155486 UZDPGXBHRNRDMB-LURJTMIESA-N 210.193 0.161 5 50 BCBA O=C(O)c1cccc([N+](=O)[O-])c1C(=O)O 149795 KFIRODWJCYBBHY-UHFFFAOYSA-N 211.129 0.991 5 50 BCBA biogenic,in-vitro COCCNC(=O)Cc1ccccc1[N+](=O)[O-] 5051509 SIMJMPJKCLXQDP-UHFFFAOYSA-N 238.243 0.900 5 50 BCBA CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1604726 JFZRLYPCHVXTRQ-UHFFFAOYSA-N 225.160 0.863 5 50 BCBA biogenic NCCCNc1ccc([N+](=O)[O-])c(N)c1 5335278 RCHYYQOZCPCLPU-UHFFFAOYSA-N 210.237 0.938 5 50 BCBA O=[N+]([O-])c1ccc(N2CCOCC2)nc1 19638656 FYJXIPHXFGFEGT-UHFFFAOYSA-N 209.205 0.826 5 50 BCBA in-vitro NC(=O)c1ncc(Br)cc1[N+](=O)[O-] 85482091 OTFOXVHWINGUKW-UHFFFAOYSA-N 246.020 0.851 5 50 BCBA in-vitro O=[N+]([O-])c1cccc([C@@H]2CNCCN2)c1 4222972 VGANTLKDSNLDDD-JTQLQIEISA-N 207.233 0.829 5 50 BCBA CC[C@](C)(NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)OC 248229246 KJECIIZOKMHFCI-XSSZXYGBSA-N 244.247 0.110 5 50 BCBA S=C1[N]N=C(c2ccncc2)[N+]12CCOCC2 334156958 DLXFZBXYQGSMFM-UHFFFAOYSA-N 248.311 0.493 5 50 BCBA NC(=O)NC(=O)c1cccc([N+](=O)[O-])c1 1693952 QKQRYUWLAKVQOQ-UHFFFAOYSA-N 209.161 0.403 5 50 BCBA in-vitro O=C(O)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3866254 RQPREKYEHBAOAR-UHFFFAOYSA-N 241.159 1.000 5 50 BCBA biogenic,in-vitro CCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 1529576 UFAHZIUFPNSHSL-MRVPVSSYSA-O 218.273 0.489 5 50 BCBA endogenous,in-man O=C1CC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)N1 4524676 HGNBEWLBSCSJGV-VIFPVBQESA-N 249.226 0.812 5 50 BCBA in-vitro NS(=O)(=O)c1cc(F)c(F)c([N+](=O)[O-])c1 263624756 TXZSIMTWVFZMSW-UHFFFAOYSA-N 238.171 0.520 5 50 BCBA COc1ccc([N+](=O)[O-])cc1Cn1nnnc1C 131839376 DMLAOPZBUCVJID-UHFFFAOYSA-N 249.230 0.947 5 50 BCBA Cc1ccc(C(=O)Nn2cnnc2)cc1[N+](=O)[O-] 183302 ZISSAVKYRJUPOX-UHFFFAOYSA-N 247.214 0.879 5 50 BCBA C[C@@](N)(C(=O)O)[C@@H](O)c1ccc([N+](=O)[O-])cc1 322434 CKVZILNVXVAJQX-WPRPVWTQSA-N 240.215 0.430 5 50 BCBA O=C(Cn1cnc([N+](=O)[O-])n1)N1CCCCC1 328146 FSGULPGIJPQUTO-UHFFFAOYSA-N 239.235 0.199 5 50 BCBA CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 4369120 TXJRJTMIPLQFGN-UHFFFAOYSA-N 230.245 0.893 5 50 BCBA in-vitro