smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=Cc1ccnn1-c1ccc([N+](=O)[O-])cc1 72190452 QMJGAVAAQIPYGB-UHFFFAOYSA-N 217.184 1.593 5 30 BDBC CC(C)(C)OC(=O)c1cc([N+](=O)[O-])cnc1N 19801147 JWBBINOQQUNVBV-UHFFFAOYSA-N 239.231 1.527 5 30 BDBC O=C(Nc1ccc([N+](=O)[O-])cn1)C(F)(F)F 5390871 MVLRICCEEDVTRN-UHFFFAOYSA-N 235.121 1.491 5 30 BDBC CCNC(=O)NC(=O)c1csc([N+](=O)[O-])c1 143233 SIQGAPSHMMGEPC-UHFFFAOYSA-N 243.244 1.116 5 30 BDBC CC(C)(F)Cn1cc([N+](=O)[O-])ccc1=O 2265378599 VXGMPSMJVFAGBK-UHFFFAOYSA-N 214.196 1.505 5 30 BDBC COc1cc(NCCO)ccc1[N+](=O)[O-] 82523363 IFQQXDNTTZOEFA-UHFFFAOYSA-N 212.205 1.008 5 30 BDBC O=[N+]([O-])c1ccsc1SCCO 4361737 FBGFXSJSFIBBFT-UHFFFAOYSA-N 205.260 1.741 5 30 BDBC Nc1ncc(Cc2ccc([N+](=O)[O-])cc2)c(N)n1 13726673 AIZLSGCCJQCUJL-UHFFFAOYSA-N 245.242 1.140 5 30 BDBC CC(=O)Nc1cc(C(=O)O)c([N+](=O)[O-])cc1C 4726919 IGZVJBLUWSNLCT-UHFFFAOYSA-N 238.199 1.560 5 30 BDBC CNc1ccc(C2(N)CC2)cc1[N+](=O)[O-] 90505418 XFOQPVYRINYXTA-UHFFFAOYSA-N 207.233 1.584 5 30 BDBC CC(=O)Nc1c(C)cc(O)cc1[N+](=O)[O-] 39108931 RCRRWHLTIBBXKY-UHFFFAOYSA-N 210.189 1.567 5 30 BDBC COc1ccc([N+](=O)[O-])cc1N1CCNCC1 3716170 HGXYVYNKYQZXMX-UHFFFAOYSA-N 237.259 1.013 5 30 BDBC NC(=S)c1cc(F)ccc1[N+](=O)[O-] 39115539 LWCWCBZMHWQVSK-UHFFFAOYSA-N 200.194 1.368 5 30 BDBC O=[N+]([O-])c1ccc(F)c(F)c1N1CCOCC1 139805583 XVOGVXCGIQDLOD-UHFFFAOYSA-N 244.197 1.710 5 30 BDBC O=[N+]([O-])c1c(F)c(F)c(O)c(F)c1F 32238139 KNJXINITCLHHAV-UHFFFAOYSA-N 211.070 1.857 5 30 BDBC COC(=O)COc1cccc([N+](=O)[O-])c1 20302641 KOBGHVWHICNPFH-UHFFFAOYSA-N 211.173 1.147 5 30 BDBC O=C1COc2cc([N+](=O)[O-])c(F)cc2N1 74942311 STDKYNXGCODEDD-UHFFFAOYSA-N 212.136 1.065 5 30 BDBC in-vitro CC[N+](C)(CC)CCc1cccc[n+]1C 3636462 ZCJNLFLPYOFCDS-UHFFFAOYSA-N 208.349 1.540 5 30 BDBC Cn1cnc([N+](=O)[O-])c1Oc1cccc(N)c1 38056469 CKIUCMZNQPJPLI-UHFFFAOYSA-N 234.215 1.703 5 30 BDBC in-vitro COc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 6019391 YKGDYDUGVHEJSG-UHFFFAOYSA-N 221.172 1.653 5 30 BDBC CC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 34119904 AAXBMKYEADPDFG-UHFFFAOYSA-N 239.187 1.770 5 30 BDBC Cn1c(=N)sc2cc([N+](=O)[O-])ccc21 2455275 YNEYOQIUYCTUST-UHFFFAOYSA-N 209.230 1.627 5 30 BDBC CCOc1ccc([N+](=O)[O-])c(C=O)c1O 39099805 MYNCDHXTXUZFMC-UHFFFAOYSA-N 211.173 1.512 5 30 BDBC O=C(O)c1cc(Cl)c([N+](=O)[O-])c(Cl)n1 215686097 ZYXYWPPPPRSSDN-UHFFFAOYSA-N 236.998 1.995 5 30 BDBC CC(=O)C[C@H](O)c1ccc([N+](=O)[O-])cc1 22002966 DKESASVLMZGECV-JTQLQIEISA-N 209.201 1.607 5 30 BDBC O=C1CC[C@@H]([N+](=O)[O-])[C@H](C2CCCCC2)N1 100966 FZTTVMXAWJJCSB-KOLCDFICSA-N 226.276 1.491 5 30 BDBC O=[N+]([O-])c1ccc(CCCCO)c([N+](=O)[O-])c1 16697711 PVTJRLPFWHICBH-UHFFFAOYSA-N 240.215 1.818 5 30 BDBC COC(=O)[C@H](C)Nc1ccc([N+](=O)[O-])cc1 35661044 IVJIPLQGUWDKSX-ZETCQYMHSA-N 224.216 1.568 5 30 BDBC in-vitro O=[N+]([O-])c1c(Cl)ccc2nncc(O)c12 98180464 PUHDGVZFMDHNQZ-UHFFFAOYSA-N 225.591 1.897 5 30 BDBC C[C@H](CC(=O)O)Oc1ccccc1[N+](=O)[O-] 85110 PWCWZTCUWINPMT-SSDOTTSWSA-N 225.200 1.837 5 30 BDBC Nc1nccc(Oc2ccc([N+](=O)[O-])cc2)n1 147878546 IWJNMSWNXYOZAQ-UHFFFAOYSA-N 232.199 1.759 5 30 BDBC CS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 88611735 TYIZMRLEAFVDSG-UHFFFAOYSA-N 219.193 1.137 5 30 BDBC in-vitro CC(=O)Nc1c(C(=O)O)cccc1[N+](=O)[O-] 4336021 YLXNPMSVXYVEHU-UHFFFAOYSA-N 224.172 1.251 5 30 BDBC CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 33948377 BKJRHIYYEKJYTP-UHFFFAOYSA-N 220.228 1.499 5 30 BDBC C[C@H](N)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 82195860 USMLPLKAUZIPIG-YFKPBYRVSA-N 211.177 1.523 5 30 BDBC NNC(=C[N+](=O)[O-])Nc1ccc(Cl)cc1 2265263995 LTSHFFRMSMRSGJ-UHFFFAOYSA-N 228.639 1.291 5 30 BDBC O=[N+]([O-])c1ccc(N2CCN(C3CC3)CC2)nc1 49390415 OGJSSFRQEPZNOV-UHFFFAOYSA-N 248.286 1.274 5 30 BDBC CCCNc1ncnc(Cl)c1[N+](=O)[O-] 4243328 JAQFNGADDHFSFM-UHFFFAOYSA-N 216.628 1.860 5 30 BDBC O=C(O)c1cnc2c([N+](=O)[O-])c[nH]c2c1 44712939 HVLTYCFBJVUXIL-UHFFFAOYSA-N 207.145 1.169 5 30 BDBC in-vitro NNc1nc2cccc([N+](=O)[O-])c2s1 45237196 ZBSDVUHAWSBWMC-UHFFFAOYSA-N 210.218 1.490 5 30 BDBC CCCc1nn(CC)c(C(=O)O)c1[N+](=O)[O-] 14985174 HKDQYTGOBJQNDQ-UHFFFAOYSA-N 227.220 1.462 5 30 BDBC COCC(=O)N1CCc2c1cccc2[N+](=O)[O-] 78149360 NKPXGZDFBIIWJC-UHFFFAOYSA-N 236.227 1.130 5 30 BDBC in-vitro C=CC(=O)OCC[N+](C)(C)Cc1ccccc1 2525492 CQLNQGQDXMGDBC-UHFFFAOYSA-N 234.319 1.992 5 30 BDBC O=[N+]([O-])c1cc([N+](=O)[O-])c2[nH]cnc2c1 19865973 VKFZSYDZDJCTRL-UHFFFAOYSA-N 208.133 1.379 5 30 BDBC O=C(O)COc1cc([N+](=O)[O-])ccc1F 75880746 NAJQWZGUHSCKNV-UHFFFAOYSA-N 215.136 1.197 5 30 BDBC C=C(OC)c1cc(C)nc(OC)c1[N+](=O)[O-] 35570178 PDPVFYDNNMTBKX-UHFFFAOYSA-N 224.216 1.924 5 30 BDBC O=C1CCN(c2ccc([N+](=O)[O-])cc2Cl)N1 196820749 FQHVIQXWFXTMJF-UHFFFAOYSA-N 241.634 1.490 5 30 BDBC Nc1c([N+](=O)[O-])cnn1C1CCCCC1 43669783 XQICHMKXWYTWJC-UHFFFAOYSA-N 210.237 1.879 5 30 BDBC CCOC(=O)CNc1ccc([N+](=O)[O-])cc1 31623143 ZJSORJPYCPRKMN-UHFFFAOYSA-N 224.216 1.570 5 30 BDBC O=C(O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 20594110 YNFNUXHAUWHDHQ-SECBINFHSA-N 236.183 1.172 5 30 BDBC Cc1cc(CO)nn1-c1ccc([N+](=O)[O-])cc1 164690 MEWXYPSNZMYBKX-UHFFFAOYSA-N 233.227 1.581 5 30 BDBC COC(=O)c1cc(F)c(C)cc1[N+](=O)[O-] 200309129 QEEMLDCQRNZRCH-UHFFFAOYSA-N 213.164 1.829 5 30 BDBC C[C@@H](CC(=O)O)Oc1ccccc1[N+](=O)[O-] 85107 PWCWZTCUWINPMT-ZETCQYMHSA-N 225.200 1.837 5 30 BDBC O=C(O)C[C@@H](C[N+](=O)[O-])c1ccccc1 14984888 YCOCGPQYZANFEB-VIFPVBQESA-N 209.201 1.522 5 30 BDBC in-vitro O=C(O)c1nnc(-c2ccc([N+](=O)[O-])cc2)[nH]1 95756792 OHYCHJFQJKRZOM-UHFFFAOYSA-N 234.171 1.078 5 30 BDBC CC(=O)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 5046500 FZUDMWLMAWINRV-UHFFFAOYSA-N 226.144 1.411 5 30 BDBC Cc1cc2cc([N+](=O)[O-])ccc2c(=O)[nH]1 221284851 JFUCNOQBVVYZNT-UHFFFAOYSA-N 204.185 1.745 5 30 BDBC in-vitro O=C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 19868681 LNXHZQNFRZOOAW-UHFFFAOYSA-N 221.216 1.159 5 30 BDBC Cc1nc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-] 35570047 SMTSVFRZTHCNRS-UHFFFAOYSA-N 217.568 1.860 5 30 BDBC O=[N+]([O-])c1ccc2c(c1)c([N+](=O)[O-])cc[n+]2[O-] 33650049 QERNYYPEFOVKMT-UHFFFAOYSA-N 235.155 1.290 5 30 BDBC O=[N+]([O-])c1csnc1Br 521398997 URSKGLODXRZCTH-UHFFFAOYSA-N 209.024 1.814 5 30 BDBC CNc1ncnc(N2CCCCC2)c1[N+](=O)[O-] 4362543 YYDKPWDEAPAYDS-UHFFFAOYSA-N 237.263 1.417 5 30 BDBC CCSCCn1c([N+](=O)[O-])cnc1C 5114921 MFRJPLQSIRTHSZ-UHFFFAOYSA-N 215.278 1.853 5 30 BDBC in-vitro COC(=O)[C@H](C)Oc1cccc([N+](=O)[O-])c1 47915265 VSADNSNVQLWDNW-ZETCQYMHSA-N 225.200 1.535 5 30 BDBC CC(=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 2576269 DKESASVLMZGECV-SNVBAGLBSA-N 209.201 1.607 5 30 BDBC Cn1cnc(Br)c1[N+](=O)[O-] 13207661 BGLUVFAUVMTRAM-UHFFFAOYSA-N 205.999 1.091 5 30 BDBC CN(C)CCOc1cc(F)ccc1[N+](=O)[O-] 82237753 REJKRTLCPQUTOG-UHFFFAOYSA-N 228.223 1.674 5 30 BDBC C=CC(=O)O[C@@H](C)C[N+](C)(CC)CC 38644585 NNGYYZNYIFAELU-JTQLQIEISA-N 200.302 1.591 5 30 BDBC O=c1c2ccccc2nc2oc3cccnc3n12 38237233 IIIPMKJSGVIWCB-UHFFFAOYSA-N 237.218 1.989 5 30 BDBC Nc1nc(Cl)nc2c([N+](=O)[O-])cccc12 238653186 KPYHIXNTSYQJAL-UHFFFAOYSA-N 224.607 1.774 5 30 BDBC O=C(O)CCc1cc([N+](=O)[O-])ccc1F 141499406 OKDGAVZCEGWDJM-UHFFFAOYSA-N 213.164 1.751 5 30 BDBC O=C1NCCN1Cc1ccccc1[N+](=O)[O-] 95220984 PGKCZESBFBSIFE-UHFFFAOYSA-N 221.216 1.120 5 30 BDBC in-vitro CC(C)n1nnc(-c2cccc([N+](=O)[O-])c2)n1 90104 DKIRHMWYJOROFI-UHFFFAOYSA-N 233.231 1.829 5 30 BDBC O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)O 39650995 CAYLYXRCMNCWDM-UHFFFAOYSA-N 237.620 1.495 5 30 BDBC O=[N+]([O-])c1cc(CO)ccc1N1CCCC1 4336136 LHEPSAPNTLYTOW-UHFFFAOYSA-N 222.244 1.687 5 30 BDBC O=[N+]([O-])c1ccc(S)c([N+](=O)[O-])c1 1841365 MHKRINONGZJSSL-UHFFFAOYSA-N 200.175 1.792 5 30 BDBC O=[n+]1c2cccc(O)c2n(O)c2cccc(O)c21 73369231 CFLFEQWSCCJQLQ-UHFFFAOYSA-O 245.214 1.358 5 30 BDBC COc1cc(C(C)=O)c([N+](=O)[O-])cc1F 71624987 UUCBLRQJSNMHPG-UHFFFAOYSA-N 213.164 1.945 5 30 BDBC O=[N+]([O-])c1cc(Cl)cc2c1OC[C@@H](CO)O2 96327188 MGLATQBXHTZVGI-ZCFIWIBFSA-N 245.618 1.380 5 30 BDBC O=[N+]([O-])c1ccc2onc(CCO)c2c1 90367350 BVYQKAZZWPVWEF-UHFFFAOYSA-N 208.173 1.271 5 30 BDBC O=[N+]([O-])c1ccc(Cn2ccnc2[N+](=O)[O-])cc1 13282328 RWPFPGHZOBMJRL-UHFFFAOYSA-N 248.198 1.748 5 30 BDBC Cc1nn(C)c(NCCCN(C)C)c1[N+](=O)[O-] 4323852 IVPXTFLABZAQBY-UHFFFAOYSA-N 241.295 1.000 5 30 BDBC O=[N+]([O-])c1ccc(C2=CSC3=NCCN23)o1 100521964 QWNNGDMXFGRSPJ-UHFFFAOYSA-N 237.240 1.905 5 30 BDBC in-man Cc1[nH]c(C)c([N+](=O)[O-])c(=O)c1Br 35569863 BPDBKFAYZOYNFN-UHFFFAOYSA-N 247.048 1.662 5 30 BDBC COC(=O)c1ccc(F)c(OC)c1[N+](=O)[O-] 888087677 AJHQZTUQXNJCQD-UHFFFAOYSA-N 229.163 1.529 5 30 BDBC O=[N+]([O-])c1cnn(-c2ccccc2)c1F 238854540 OHUHNIVOBAHRJR-UHFFFAOYSA-N 207.164 1.920 5 30 BDBC O=C(O)[C@@H]1Cc2cccc([N+](=O)[O-])c2C1 39087004 DBDFIUAOEDQFQG-SSDOTTSWSA-N 207.185 1.394 5 30 BDBC CN(C)C(=O)Nc1cccc([N+](=O)[O-])c1O 38171526 LCECVJGHMHPVSW-UHFFFAOYSA-N 225.204 1.394 5 30 BDBC O=[N+]([O-])c1cncc(Br)c1F 306815815 DFHDITMOUQZLKS-UHFFFAOYSA-N 220.985 1.891 5 30 BDBC CN1CCc2cccc([N+](=O)[O-])c2C1=O 60245944 SNDUZGSNHUZYPS-UHFFFAOYSA-N 206.201 1.223 5 30 BDBC C[n+]1ccc2c(ccc3c2ccc[n+]3C)c1 2525048 NXFLVINZUUPYQU-UHFFFAOYSA-N 210.280 1.642 5 30 BDBC O=[N+]([O-])CS(=O)(=O)c1cccc(Cl)c1 100375745 IBCPLIUGYBHORX-UHFFFAOYSA-N 235.648 1.348 5 30 BDBC O=[N+]([O-])/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2 2559223 WWYLHVBUDLOVIP-OWOJBTEDSA-N 238.155 1.571 5 30 BDBC CN(C)c1nc(Cl)ncc1[N+](=O)[O-] 4243389 WUJAUSCPTXDTTK-UHFFFAOYSA-N 202.601 1.104 5 30 BDBC O=C(O)c1cnc(Br)c([N+](=O)[O-])c1 1597530 VXLXYUKVRAJUMP-UHFFFAOYSA-N 247.004 1.451 5 30 BDBC CNc1ncnc(SC(C)C)c1[N+](=O)[O-] 4362539 NDAZOMZXHDJYMW-UHFFFAOYSA-N 228.277 1.927 5 30 BDBC O=[N+]([O-])c1cc(Cl)cc2c1OC[C@H](CO)O2 96327187 MGLATQBXHTZVGI-LURJTMIESA-N 245.618 1.380 5 30 BDBC C=CC(=O)OCC(C)(C)C[N+](C)(C)C 38635859 PFABZGMJZAZWHB-UHFFFAOYSA-N 200.302 1.448 5 30 BDBC O=[N+]([O-])c1cc[n+]([O-])c2c([N+](=O)[O-])cccc12 5845293 VTEYIVXQGGFQFY-UHFFFAOYSA-N 235.155 1.290 5 30 BDBC O=[N+]([O-])c1ccc(Cl)c2c1CCNC2 215211056 ZZLGMXMGXLVCSE-UHFFFAOYSA-N 212.636 1.894 5 30 BDBC CC(=O)Oc1cccc(OC(C)=O)c1[N+](=O)[O-] 170570 IMZBZTLSMCOIJA-UHFFFAOYSA-N 239.183 1.445 5 30 BDBC Nc1ccc(/C=C/c2ccc([N+](=O)[O-])o2)nn1 4217120 XDWLRMBWIWKFNC-HNQUOIGGSA-N 232.199 1.730 5 30 BDBC in-man CCNc1ncnc(Cl)c1[N+](=O)[O-] 4243315 CVAWZTXOPAHHAZ-UHFFFAOYSA-N 202.601 1.470 5 30 BDBC C[N+](C)(CCO)CCC[Si](C)(C)C 195785234 IWJNVCBBAVFRCI-UHFFFAOYSA-N 204.410 1.783 5 30 BDBC CC(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c1 197492549 VIKPVZAYPSZGGE-UHFFFAOYSA-N 209.157 1.496 5 30 BDBC Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)no1 66729 ZVUUDWRAIFMIFP-UHFFFAOYSA-N 237.171 1.737 5 30 BDBC COC(=O)Cc1noc2ccc([N+](=O)[O-])cc12 95752012 NOVRJWNUKYEYCI-UHFFFAOYSA-N 236.183 1.452 5 30 BDBC O=C1NCC[C@@H]1c1ccc([N+](=O)[O-])cc1 95221121 XLERBMMVUHGRIU-SECBINFHSA-N 206.201 1.198 5 30 BDBC in-vitro O=[N+]([O-])c1ccc2ccn(CCO)c2c1 88266802 UAULJBHBEJWSGW-UHFFFAOYSA-N 206.201 1.542 5 30 BDBC O=C(O)[C@H]1CCc2ccc([N+](=O)[O-])cc21 39087019 PWEDZHJBRIDVHB-QMMMGPOBSA-N 207.185 1.709 5 30 BDBC CC(C)Nc1ncnc(Cl)c1[N+](=O)[O-] 4148945 UOIJIZBXRZREBE-UHFFFAOYSA-N 216.628 1.859 5 30 BDBC CC(C)NC(=O)/C=C/c1ccc([N+](=O)[O-])o1 2039074 APOAEUBPCAZTDV-HWKANZROSA-N 224.216 1.726 5 30 BDBC CCc1ccc(CC(=O)OC)c([N+](=O)[O-])c1 39102456 UUZVZQDPIRWMPF-UHFFFAOYSA-N 223.228 1.873 5 30 BDBC CCOc1cc(C=O)c([N+](=O)[O-])cc1O 39099788 AIMAXLPHCZQHCU-UHFFFAOYSA-N 211.173 1.512 5 30 BDBC O=[N+]([O-])c1cnc(Br)c(CO)c1 307012042 PPFJMTXMTDXYQW-UHFFFAOYSA-N 233.021 1.245 5 30 BDBC O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Cl 34238110 VGYXWJYREWOTFV-UHFFFAOYSA-N 246.631 1.283 5 30 BDBC O=[N+]([O-])c1cc(F)cc(N2CCOCC2)c1 86336182 VPWVCQWWHPZJOA-UHFFFAOYSA-N 226.207 1.571 5 30 BDBC in-vitro Cc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)n1C 6069606 AENIZEZXKCBOIO-UHFFFAOYSA-N 233.227 1.393 5 30 BDBC COC(=O)Cc1ccc([N+](=O)[O-])c(OC)c1 139744694 VXKMMODEJNGIRD-UHFFFAOYSA-N 225.200 1.319 5 30 BDBC CC(C)(C)C(=N)NC(=O)c1ccc([N+](=O)[O-])o1 20412776 DRHSNGBDWYCMNQ-UHFFFAOYSA-N 239.231 1.941 5 30 BDBC C[C@H]1O[C@]2(CS1)C[N+]1([O-])CCC2CC1 44699398 DWWHPWWQQISZCA-XEAZBWPWSA-N 215.318 1.573 5 30 BDBC in-vitro COC(=O)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 35661045 IVJIPLQGUWDKSX-SSDOTTSWSA-N 224.216 1.568 5 30 BDBC in-vitro O=C1CC[C@@H]([N+](=O)[O-])[C@@H](C2CCCCC2)N1 100968 FZTTVMXAWJJCSB-MWLCHTKSSA-N 226.276 1.491 5 30 BDBC CN(C)c1cc(F)c(C(=O)O)cc1[N+](=O)[O-] 98209966 WUEQHJJDPRMPAS-UHFFFAOYSA-N 228.179 1.498 5 30 BDBC in-vitro COc1cc(CO)c([N+](=O)[O-])cc1Cl 306525864 RSRSRWOPVRQZQW-UHFFFAOYSA-N 217.608 1.749 5 30 BDBC COC(=O)Cc1cccc([N+](=O)[O-])c1O 95616976 VHYLVMMZRLBKLI-UHFFFAOYSA-N 211.173 1.016 5 30 BDBC O=c1ccc([N+](=O)[O-])cn1[C@@H]1CCCCO1 136449 KCGJEAFCUKIIPI-JTQLQIEISA-N 224.216 1.456 5 30 BDBC O=[N+]([O-])c1ccc(N2CCSCC2)cc1O 20413274 WPHUXQNQLFSVOT-UHFFFAOYSA-N 240.284 1.854 5 30 BDBC Cc1cc2c(c([N+](=O)[O-])c1)NC(=O)C2=O 31866885 NTRUHSPDGGDANP-UHFFFAOYSA-N 206.157 1.038 5 30 BDBC CN1CCC(NCc2ccc([N+](=O)[O-])cc2)CC1 37248569 JVHVGAASBFXUSS-UHFFFAOYSA-N 249.314 1.779 5 30 BDBC C[S@@](=N)(=O)c1ccc([N+](=O)[O-])c(F)c1 2242137812 YAMCQOQSEPTKQN-CQSZACIVSA-N 218.209 1.769 5 30 BDBC CC(C)(C)OC(=O)N1CC=C([N+](=O)[O-])CC1 1083809861 WDZBNWKLJGVIJN-UHFFFAOYSA-N 228.248 1.788 5 30 BDBC C=CC(=O)OCc1ccccc1[N+](=O)[O-] 33506732 CVTDDZYPSGYVNN-UHFFFAOYSA-N 207.185 1.824 5 30 BDBC CCCS(=O)(=O)c1ccccc1[N+](=O)[O-] 33606662 VXRVZVNWVDJRGL-UHFFFAOYSA-N 229.257 1.779 5 30 BDBC COC(=O)Cc1cc(F)cc([N+](=O)[O-])c1 231463871 UWECGABYPSXPQF-UHFFFAOYSA-N 213.164 1.449 5 30 BDBC Cc1n[nH]c(=O)c2c([N+](=O)[O-])cccc12 3632463 HDAONGFMJJTPQU-UHFFFAOYSA-N 205.173 1.140 5 30 BDBC O=[N+]([O-])c1cccnc1NCc1ccccn1 20019290 ONKFTKZSASNPJY-UHFFFAOYSA-N 230.227 1.997 5 30 BDBC O=c1[nH]ccc2c1c(=O)[nH]c1ccccc12 155476 AYFFBQWUOFFAIC-UHFFFAOYSA-N 212.208 1.370 5 30 BDBC CNc1ccc(N(C)CCO)cc1[N+](=O)[O-] 5424586 WFQYZMBZJONURU-UHFFFAOYSA-N 225.248 1.065 5 30 BDBC O=[N+]([O-])c1ccccc1OP(=O)(O)O 5847966 BUBWKNKRFRMZNS-UHFFFAOYSA-N 219.089 1.066 5 30 BDBC O=C(O)c1cccc2c1nc1ccccc1[n+]2[O-] 14651176 HWNCZHJYKQCHML-UHFFFAOYSA-N 240.218 1.720 5 30 BDBC O=C(Nc1ccccc1[N+](=O)[O-])C1CCNCC1 37029545 ZPFNXKJEIXQWKK-UHFFFAOYSA-N 249.270 1.533 5 30 BDBC CCOC(=N)[C@H](O)c1ccccc1[N+](=O)[O-] 39135045 UAXJPXNLKDPSLD-SECBINFHSA-N 224.216 1.642 5 30 BDBC Nc1ccc(C(=O)C2CC2)cc1[N+](=O)[O-] 33506169 CWGGORUVLAOGPD-UHFFFAOYSA-N 206.201 1.770 5 30 BDBC O=Cc1ccnn1-c1ccccc1[N+](=O)[O-] 72190451 KOXGCYXEIVBUBY-UHFFFAOYSA-N 217.184 1.593 5 30 BDBC CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)O 91301980 CNLJIEQUDKSTHL-UHFFFAOYSA-N 242.162 1.391 5 30 BDBC COC(=O)c1cnc(Cl)cc1[N+](=O)[O-] 79045929 RYZFRSGPJAKWFB-UHFFFAOYSA-N 216.580 1.430 5 30 BDBC O=c1[nH]c(=S)oc2c([N+](=O)[O-])cccc12 3615412 PMKOYZPSGYYYGN-UHFFFAOYSA-N 224.197 1.759 5 30 BDBC Nc1ncnc(Nc2cccc([N+](=O)[O-])c2)n1 90032 UYRICMUNMNVOCU-UHFFFAOYSA-N 232.203 1.106 5 30 BDBC CC(=O)OCCc1cccc([N+](=O)[O-])c1 5161445 DHCRSUDNZBCHMQ-UHFFFAOYSA-N 209.201 1.700 5 30 BDBC CN(C)c1cc([N+](=O)[O-])cc(Cl)n1 234264822 GFXFHGGMGILCEK-UHFFFAOYSA-N 201.613 1.709 5 30 BDBC CCOC(=O)c1noc2cc([N+](=O)[O-])ccc12 96321012 IUOFIXUHTHGITL-UHFFFAOYSA-N 236.183 1.913 5 30 BDBC CN1CCC(n2cc([N+](=O)[O-])cn2)CC1 116516442 DSEUPOQICWKBQE-UHFFFAOYSA-N 210.237 1.058 5 30 BDBC Cc1c([N+](=O)[O-])cc(NO)cc1[N+](=O)[O-] 2570874 HTTDEAQRSCMCQS-UHFFFAOYSA-N 213.149 1.613 5 30 BDBC biogenic,in-vitro COC(=O)c1cc([N+](=O)[O-])cc(F)c1F 54207618 CHSQRPBCMNNOMR-UHFFFAOYSA-N 217.127 1.660 5 30 BDBC CCOC(=O)[C@H](N)c1ccccc1[N+](=O)[O-] 39186808 ZICLRTSSQWUNIR-SECBINFHSA-N 224.216 1.158 5 30 BDBC CCOC(=O)c1ncc(Cl)cc1[N+](=O)[O-] 209776401 KZGVBJBLWYSVKP-UHFFFAOYSA-N 230.607 1.820 5 30 BDBC Cc1n[nH]c(C)c1-c1ncccc1[N+](=O)[O-] 117521 ZCZCBBPGSQTELH-UHFFFAOYSA-N 218.216 1.997 5 30 BDBC COC(=O)c1c(Cl)ccc([N+](=O)[O-])c1N 37475445 VKAANPGYTOPKLN-UHFFFAOYSA-N 230.607 1.617 5 30 BDBC in-vitro O=[N+]([O-])c1ccc(N2CCCC2)c(CO)c1 4336139 VKAPZEAZRQDVIK-UHFFFAOYSA-N 222.244 1.687 5 30 BDBC Nc1cc([N+](=O)[O-])c(F)cc1OC(F)F 575623972 DVBFIBOOYOMVOL-UHFFFAOYSA-N 222.122 1.918 5 30 BDBC C[C@@H](N)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 83291744 NBJDRZKPGXNVQI-RXMQYKEDSA-N 211.177 1.523 5 30 BDBC C=CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 4336008 KTPWOMFFSYSOIM-UHFFFAOYSA-N 218.212 1.670 5 30 BDBC CN(C)c1ccc2nsnc2c1[N+](=O)[O-] 4362000 DREQNHIYBAZRBH-UHFFFAOYSA-N 224.245 1.666 5 30 BDBC O=[N+]([O-])c1cc[n+]([O-])c2c(F)cccc12 5845291 MUTKSEVUOWYGKA-UHFFFAOYSA-N 208.148 1.521 5 30 BDBC Cc1nnc(S)n1-c1ccccc1[N+](=O)[O-] 95829636 ZUFLYWDFAZENKO-UHFFFAOYSA-N 236.256 1.773 5 30 BDBC Cc1c(F)ccc([N+](=O)[O-])c1[N+](=O)[O-] 14985732 RIZQVBDXSQYWAE-UHFFFAOYSA-N 200.125 1.951 5 30 BDBC in-vitro O=c1c([N+](=O)[O-])c(O)c2cccc3c2n1CCC3 100294361 QLMBHOQBBXZBQL-UHFFFAOYSA-N 246.222 1.562 5 30 BDBC C[C@@H](C(=O)O)c1ccc([N+](=O)[O-])cc1F 95348259 RDQCPNADYHADDM-RXMQYKEDSA-N 213.164 1.922 5 30 BDBC in-vitro Cn1cc(C=O)c2nc3ccccc3cc2c1=O 3886838 CNSVXCBJOOVDSK-UHFFFAOYSA-N 238.246 1.899 5 30 BDBC O=c1ccc([N+](=O)[O-])cn1[C@H]1CCCCO1 136447 KCGJEAFCUKIIPI-SNVBAGLBSA-N 224.216 1.456 5 30 BDBC O=[N+]([O-])c1ccc(C2OCCO2)s1 139993 VTRXHPYVLDJELJ-UHFFFAOYSA-N 201.203 1.702 5 30 BDBC Nc1nnc(-c2ccc([N+](=O)[O-])cc2F)s1 43570816 BSGZFCCIFBAKRN-UHFFFAOYSA-N 240.219 1.835 5 30 BDBC O=C(O)c1ccnc(Br)c1[N+](=O)[O-] 82164643 PCEFRLFLQALRPP-UHFFFAOYSA-N 247.004 1.451 5 30 BDBC in-vitro CN(C)C(=O)Nc1ccc([N+](C)(C)C)cc1 38171657 QDCNUQUZNYLNIZ-UHFFFAOYSA-O 222.312 1.977 5 30 BDBC COC(=O)c1cc(C)c([N+](=O)[O-])s1 95764218 ZMPNEFDRDQESSG-UHFFFAOYSA-N 201.203 1.751 5 30 BDBC O=[N+]([O-])c1ccc(NCCCCCCO)nc1 180211398 UGGNVOVMNVELCV-UHFFFAOYSA-N 239.275 1.954 5 30 BDBC O=CNc1nc2ccc([N+](=O)[O-])cc2s1 45236847 DRUCGHHPLLIOIL-UHFFFAOYSA-N 223.213 1.773 5 30 BDBC C=C(C(=O)OCC)c1ncccc1[N+](=O)[O-] 95348062 WPOULMXZPCFYBB-UHFFFAOYSA-N 222.200 1.566 5 30 BDBC in-vitro O=C(O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 20594109 YNFNUXHAUWHDHQ-VIFPVBQESA-N 236.183 1.172 5 30 BDBC C[C@@H]1O[C@]2(CS1)C[N+]1([O-])CCC2CC1 44699397 DWWHPWWQQISZCA-VKAADOFISA-N 215.318 1.573 5 30 BDBC in-vitro O=[N+]([O-])c1cnn(-c2cnc3ccccc3n2)c1 82164419 HAENXKZHCAHQHL-UHFFFAOYSA-N 241.210 1.724 5 30 BDBC in-vitro CC(=O)Nc1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 170669 WYEPRMHEKVKNRJ-UHFFFAOYSA-N 246.226 1.943 5 30 BDBC COC(=O)c1c([N+](=O)[O-])ccc2[nH]ncc12 44699942 RZLUWMNBRGUNLT-UHFFFAOYSA-N 221.172 1.258 5 30 BDBC in-vitro Cc1cc(=O)[nH]n1-c1ccccc1[N+](=O)[O-] 21988826 CNZVRWLKPKJJBO-UHFFFAOYSA-N 219.200 1.382 5 30 BDBC COc1cc(O)cc(N2CC[N+](C)(C)CC2)c1 2265364183 SAVJKPYSJIEZMW-UHFFFAOYSA-O 237.323 1.297 5 30 BDBC O=C(O)CCc1cc(F)c(F)cc1[N+](=O)[O-] 1535859244 YCFMPOYEQCAXAN-UHFFFAOYSA-N 231.154 1.890 5 30 BDBC C[C@@H]1CO[C@@H](c2cccc([N+](=O)[O-])c2)N1 20412917 BPDUIEUBOUBPNB-XCBNKYQSSA-N 208.217 1.602 5 30 BDBC O=C(O)c1cc([N+](=O)[O-])cc2c1NCC2 29311756 UGSBYHSBFBUBJO-UHFFFAOYSA-N 208.173 1.261 5 30 BDBC C[C@H]1CO[C@@H](c2cccc([N+](=O)[O-])c2)N1 20412920 BPDUIEUBOUBPNB-XVKPBYJWSA-N 208.217 1.602 5 30 BDBC N=C(NO)c1cc2c([N+](=O)[O-])cccc2o1 38817396 ZWGGMQBPUBGNFN-UHFFFAOYSA-N 221.172 1.645 5 30 BDBC CCCc1ccc(S(=O)(=O)C[N+](=O)[O-])cc1 100375578 JZGUUAOWXLXKOU-UHFFFAOYSA-N 243.284 1.647 5 30 BDBC C[S@](=N)(=O)c1ccc([N+](=O)[O-])c(F)c1 2242137811 YAMCQOQSEPTKQN-AWEZNQCLSA-N 218.209 1.769 5 30 BDBC COc1ccc(-n2ccnc2)c([N+](=O)[O-])c1 70163656 AMHMQVYBILXHQS-UHFFFAOYSA-N 219.200 1.789 5 30 BDBC O=[N+]([O-])c1ccc2c(O)nc(Cl)nc2c1 91301627 AXZHXOUENOJTBD-UHFFFAOYSA-N 225.591 1.897 5 30 BDBC CC1(C)NC(=O)c2cc([N+](=O)[O-])ccc2O1 40443203 LBGSTFDBDFLFBL-UHFFFAOYSA-N 222.200 1.453 5 30 BDBC C[C@@H]1CO[C@H](c2cccc([N+](=O)[O-])c2)N1 20412923 BPDUIEUBOUBPNB-GMSGAONNSA-N 208.217 1.602 5 30 BDBC CN(C)c1ncnc(Cl)c1[N+](=O)[O-] 4148950 RIZZEVDOTSTXCG-UHFFFAOYSA-N 202.601 1.104 5 30 BDBC Cn1c(Br)cnc1[N+](=O)[O-] 98181384 VOFCKMBHQUDTAI-UHFFFAOYSA-N 205.999 1.091 5 30 BDBC O=C(Nc1cccc([N+](=O)[O-])c1)C1CCNCC1 34939023 HLRYJHHLEXGRTC-UHFFFAOYSA-N 249.270 1.533 5 30 BDBC Nc1nccc(-c2ccc([N+](=O)[O-])s2)n1 95935479 RPGPNYPYBUYNTJ-UHFFFAOYSA-N 222.229 1.696 5 30 BDBC CCOC(=O)CCNc1ccncc1[N+](=O)[O-] 41676762 AULABXFAZRCETQ-UHFFFAOYSA-N 239.231 1.355 5 30 BDBC Nc1cccc2nc3c(N)cccc3nc12 5161744 FKTKBFVVAFESPW-UHFFFAOYSA-N 210.240 1.947 5 30 BDBC Cc1nc(Cc2ccc([N+](=O)[O-])cc2)no1 117067 BIBQUOMJIXIKBS-UHFFFAOYSA-N 219.200 1.877 5 30 BDBC O=C(O)C1(c2cccc([N+](=O)[O-])c2)CC1 59673082 NWBHLEMEJAGMDV-UHFFFAOYSA-N 207.185 1.711 5 30 BDBC NCCc1ccc(Br)cc1[N+](=O)[O-] 95634992 UFIXIPOOVGSPSH-UHFFFAOYSA-N 245.076 1.859 5 30 BDBC C[C@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)O 21951441 IABGQMFXJVXIMY-LURJTMIESA-N 210.189 1.480 5 30 BDBC COC(Cc1ccc([N+](=O)[O-])cc1)OC 96334571 VXOYCTCFTVQQBU-UHFFFAOYSA-N 211.217 1.756 5 30 BDBC COc1ccc([N+](=O)[O-])c(CC(=O)O)c1F 313519439 DJGAMMPZTGWIIZ-UHFFFAOYSA-N 229.163 1.370 5 30 BDBC COc1cc([N+](=O)[O-])c2[nH]c(C(=O)O)cc2c1 14985704 YMZANWFSYUKLNT-UHFFFAOYSA-N 236.183 1.783 5 30 BDBC CCOC(=N)[C@@H](O)c1ccccc1[N+](=O)[O-] 39135046 UAXJPXNLKDPSLD-VIFPVBQESA-N 224.216 1.642 5 30 BDBC CN1C(=S)Cc2cc([N+](=O)[O-])ccc21 38673145 UUWSVJZUKCLPSM-UHFFFAOYSA-N 208.242 1.915 5 30 BDBC O=C(O)Cc1ccc([N+](=O)[O-])c(Cl)c1 2507572 KSQUWMUXPVUNQK-UHFFFAOYSA-N 215.592 1.875 5 30 BDBC NNc1cc(Br)cc([N+](=O)[O-])c1 306560589 RWQRAYLXFMORIG-UHFFFAOYSA-N 232.037 1.643 5 30 BDBC C=CC(=O)OC(C)(C)[N+](C)(CC)CC 38644913 TXBBEOBJXAKZSC-UHFFFAOYSA-N 200.302 1.938 5 30 BDBC Cc1c([N+](=O)[O-])c(/C=C/N(C)C)nn1C 59594385 BGIAMSDXBXSVOK-AATRIKPKSA-N 210.237 1.169 5 30 BDBC O=C(O)c1cc(=O)c2cc([N+](=O)[O-])ccc2o1 33966706 BRACGNXKPXZOEP-UHFFFAOYSA-N 235.151 1.399 5 30 BDBC O=[N+]([O-])c1ccc([C@]23CNC[C@H]2C3)cc1 39332074 WYVXKKHXLDXLOM-KOLCDFICSA-N 204.229 1.456 5 30 BDBC O=[N+]([O-])c1cc([N+](=O)[O-])c2onnc2c1 2041213 IFYCOVMLDMKOHK-UHFFFAOYSA-N 210.105 1.039 5 30 BDBC O=C(O)C[C@H](C[N+](=O)[O-])c1ccccc1 14984889 YCOCGPQYZANFEB-SECBINFHSA-N 209.201 1.522 5 30 BDBC in-vitro NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 103998422 IVMMVWKAROMENU-UHFFFAOYSA-N 234.133 1.713 5 30 BDBC COC(=O)c1cc(Cl)c([N+](=O)[O-])cn1 306909807 HSVVBNLOJAYAGW-UHFFFAOYSA-N 216.580 1.430 5 30 BDBC O=C1C[C@@H](c2ccccc2[N+](=O)[O-])CN1 238628700 VXYWCDWFIPAOPF-SSDOTTSWSA-N 206.201 1.198 5 30 BDBC O=C(O)[C@H]1Cc2cccc([N+](=O)[O-])c2C1 39087005 DBDFIUAOEDQFQG-ZETCQYMHSA-N 207.185 1.394 5 30 BDBC C[C@H]1O[C@@]2(CS1)C[N+]1([O-])CCC2CC1 44699400 DWWHPWWQQISZCA-QPBDYMMBSA-N 215.318 1.573 5 30 BDBC O=C(O)C1(c2ccc([N+](=O)[O-])cn2)CC1 306310159 ZPGPTSMNPUKZNA-UHFFFAOYSA-N 208.173 1.106 5 30 BDBC O=[N+]([O-])c1ccc2sc(NCCO)nc2c1 33606779 ZIOCRCDLXZNNCB-UHFFFAOYSA-N 239.256 1.609 5 30 BDBC CNc1ncnc(N2CCCC2)c1[N+](=O)[O-] 4362547 GZHQUMAFKZQFLI-UHFFFAOYSA-N 223.236 1.027 5 30 BDBC CC(=O)N1CCc2cccc([N+](=O)[O-])c2C1 39040192 UAZOMFBCFGLWAL-UHFFFAOYSA-N 220.228 1.499 5 30 BDBC NCCc1ccc([N+](=O)[O-])cc1Br 53301879 HSUSGZXJAIKRQT-UHFFFAOYSA-N 245.076 1.859 5 30 BDBC COc1cc([N+](=O)[O-])ccc1-n1ccnc1 115093873 RCHPLYXDHICZAF-UHFFFAOYSA-N 219.200 1.789 5 30 BDBC Cc1nc(Br)c([N+](=O)[O-])n1C 13209691 ZNTMHCHYIKJJMI-UHFFFAOYSA-N 220.026 1.399 5 30 BDBC CCc1c([N+](=O)[O-])cc(N)cc1[N+](=O)[O-] 39101503 BNTIGSBCIDBMOK-UHFFFAOYSA-N 211.177 1.648 5 30 BDBC Nc1nc(Cl)c(Cl)nc1[N+](=O)[O-] 39384811 YPKQEGJKVUTYPH-UHFFFAOYSA-N 208.992 1.274 5 30 BDBC O=C(O)c1c(Br)cncc1[N+](=O)[O-] 307492716 JKAMFKSJMRTSAO-UHFFFAOYSA-N 247.004 1.451 5 30 BDBC O=[N+]([O-])c1ccc2c(c1)c(NO)cc[n+]2[O-] 95882212 KXRDUCMDYLHYRL-UHFFFAOYSA-N 221.172 1.183 5 30 BDBC O=[N+]([O-])c1c(O)nc(Cc2ccccc2)nc1O 607716114 WWHHTGDKSCNQID-UHFFFAOYSA-N 247.210 1.387 5 30 BDBC O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCNC1 34939004 PNPWZWHXQLOTRJ-SECBINFHSA-N 249.270 1.533 5 30 BDBC COc1cc(N2CCNCC2)cc([N+](=O)[O-])c1 131111691 MEVRBTXZFVDGGX-UHFFFAOYSA-N 237.259 1.013 5 30 BDBC C=C(C)C(=O)O[C@H](C)C[N+](C)(C)CC 141713953 BFTHLNOKBCJGDV-SNVBAGLBSA-N 200.302 1.591 5 30 BDBC NCCc1ccc(Cl)cc1[N+](=O)[O-] 53301881 CJQZOISWBWFQGS-UHFFFAOYSA-N 200.625 1.749 5 30 BDBC in-vitro COC(=O)C[C@@H](N)c1cccc([N+](=O)[O-])c1 15440689 WCYSVIMUYDWOPM-SECBINFHSA-N 224.216 1.158 5 30 BDBC O=[N+]([O-])c1ccc(OCc2ccccn2)nc1 196999644 IFTLUSMGMNIWMV-UHFFFAOYSA-N 231.211 1.964 5 30 BDBC O=C(O)c1cc(Cl)cc([N+](=O)[O-])n1 95765936 ZSCYJDMXFRUNJE-UHFFFAOYSA-N 202.553 1.341 5 30 BDBC CC(C)(CC(=O)OCC[N+](C)(C)C)[N+](C)(C)C 1851756 ZDOKINDJAMZRLV-UHFFFAOYSA-N 246.395 1.111 5 30 BDBC CNCc1c(Cl)cccc1[N+](=O)[O-] 33610908 KLVFNRYOUGSYDE-UHFFFAOYSA-N 200.625 1.968 5 30 BDBC COC(=O)c1cc([N+](=O)[O-])cc(C)c1N 39084092 LVXLIYJRATZLAT-UHFFFAOYSA-N 210.189 1.272 5 30 BDBC O=[N+]([O-])c1cccnc1NCCCn1ccnc1 20298804 XWNJUVYCJYPQOE-UHFFFAOYSA-N 247.258 1.689 5 30 BDBC O=C1CCCOc2ccc([N+](=O)[O-])cc21 34325345 HCJDDRWAVYLBCZ-UHFFFAOYSA-N 207.185 1.950 5 30 BDBC Cc1c([N+](=O)[O-])cc(C=O)cc1[N+](=O)[O-] 95830058 ATRPDICPDXLRLL-UHFFFAOYSA-N 210.145 1.624 5 30 BDBC COC(=O)CCCOc1cccc([N+](=O)[O-])c1 37286785 OXKQRXUDMCYHBP-UHFFFAOYSA-N 239.227 1.927 5 30 BDBC COc1ccc2ncncc2c1[N+](=O)[O-] 95830751 CNDJORSHNJUFTO-UHFFFAOYSA-N 205.173 1.547 5 30 BDBC O=C1NCC[C@H]1c1ccc([N+](=O)[O-])cc1 95221119 XLERBMMVUHGRIU-VIFPVBQESA-N 206.201 1.198 5 30 BDBC in-vitro Nc1ccc([N+](=O)[O-])cc1OC(F)F 32627886 HAPKGVHPTPDQFC-UHFFFAOYSA-N 204.132 1.778 5 30 BDBC in-vitro CC(=O)Nc1ccc([N+](=O)[O-])c(Cl)n1 33884087 KKTGQJSKUMYTQA-UHFFFAOYSA-N 215.596 1.602 5 30 BDBC COc1ccc(NCCO)c([N+](=O)[O-])c1 5319265 WCBLXRCPLCDWCS-UHFFFAOYSA-N 212.205 1.008 5 30 BDBC Cc1cc(O)c([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-] 100126565 VIGWOECDNBSOGQ-UHFFFAOYSA-N 243.131 1.425 5 30 BDBC CC(C)(C)OC(=O)NCCC[N+](=O)[O-] 39093255 AWMPLPNIAJLJME-UHFFFAOYSA-N 204.226 1.178 5 30 BDBC O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCNC1 34939022 NYXDOHMIYFVMKI-VIFPVBQESA-N 249.270 1.533 5 30 BDBC O=c1[nH]c(=O)c2cc3ccccc3cc2[nH]1 32249480 TUYHDHWBWUTAQM-UHFFFAOYSA-N 212.208 1.370 5 30 BDBC in-vitro C[C@]12CCC(C[N+](=O)[O-])=C[C@@]1(O)CCC2=O 39096062 BUQLCDHJHRKDMP-MNOVXSKESA-N 225.244 1.084 5 30 BDBC O=C(O)c1c(Cl)cncc1[N+](=O)[O-] 306922735 WSHKZBAVUGWAGE-UHFFFAOYSA-N 202.553 1.341 5 30 BDBC COC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc2c1=O 2265385400 RXSVGYTWAAYWAO-UHFFFAOYSA-N 248.194 1.223 5 30 BDBC CC(=O)OCCc1ccccc1[N+](=O)[O-] 2040328 JTDNAYJQWWTNDA-UHFFFAOYSA-N 209.201 1.700 5 30 BDBC Cc1ccc(=O)n(Cc2ccc([N+](=O)[O-])cc2)n1 92328 FZHDUNUJWGGPEQ-UHFFFAOYSA-N 245.238 1.508 5 30 BDBC CC(=O)N1Cc2cc([N+](=O)[O-])ccc2CO1 2015785 FFRVMAQKEPCGOM-UHFFFAOYSA-N 222.200 1.389 5 30 BDBC Cc1nc2[nH]nc(N)c2c(C)c1[N+](=O)[O-] 6295176 XSJMHSFYNFSOAI-UHFFFAOYSA-N 207.193 1.065 5 30 BDBC O=C(O)c1cc(Br)c([N+](=O)[O-])[nH]1 32628414 AKWUJHJMCIYFJO-UHFFFAOYSA-N 234.993 1.384 5 30 BDBC O=c1oc2cccc3c4ccccc4c(=O)n1c23 39136204 DZIYIXAQZHETBG-UHFFFAOYSA-N 237.214 1.997 5 30 BDBC CCOCCOC(=O)c1ccc([N+](=O)[O-])cc1 5858978 JVKUSNIMTZCOMW-UHFFFAOYSA-N 239.227 1.788 5 30 BDBC CNc1c(Br)cncc1[N+](=O)[O-] 88190265 JLGVVVSGJJMCJH-UHFFFAOYSA-N 232.037 1.794 5 30 BDBC Cn1c(=O)ccc2c([N+](=O)[O-])cccc21 115481462 FNEPMMJDCROXSK-UHFFFAOYSA-N 204.185 1.447 5 30 BDBC C=C(C)C(=O)O[C@@H](C)C[N+](C)(C)CC 141714135 BFTHLNOKBCJGDV-JTQLQIEISA-N 200.302 1.591 5 30 BDBC Nc1ncc(/C=C/c2ccc([N+](=O)[O-])o2)nn1 4216369 RWOLIGKRDWLZSV-OWOJBTEDSA-N 233.187 1.125 5 30 BDBC in-man O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCNC1 34939005 PNPWZWHXQLOTRJ-VIFPVBQESA-N 249.270 1.533 5 30 BDBC O=[N+]([O-])c1ccc(F)nc1Br 261508252 QWDBPCRXRKMIQG-UHFFFAOYSA-N 220.985 1.891 5 30 BDBC O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCNC1 34939021 NYXDOHMIYFVMKI-SECBINFHSA-N 249.270 1.533 5 30 BDBC COc1cccc(OC)c1/C=C/[N+](=O)[O-] 2244077 HWHAPEJTWCSVGR-VOTSOKGWSA-N 209.201 1.951 5 30 BDBC CC(=O)OC(OC(C)=O)c1coc([N+](=O)[O-])c1 71973275 KBBDSHFKRKOQQK-UHFFFAOYSA-N 243.171 1.313 5 30 BDBC O=C1NCCN1c1cccc([N+](=O)[O-])c1 1728432 RTPRBBVFDDGLFS-UHFFFAOYSA-N 207.189 1.124 5 30 BDBC C=CC(=O)O[C@H](C)C[N+](C)(CC)CC 38644582 NNGYYZNYIFAELU-SNVBAGLBSA-N 200.302 1.591 5 30 BDBC C[C@H]1CO[C@H](c2cccc([N+](=O)[O-])c2)N1 20412925 BPDUIEUBOUBPNB-OIBJUYFYSA-N 208.217 1.602 5 30 BDBC CCOC(=O)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 49374311 HAPKSNABPNGVAR-MRVPVSSYSA-N 238.243 1.958 5 30 BDBC CCc1ccc([N+](=O)[O-])cc1C(=O)OC 146060287 QCBAWUWFMSIGNL-UHFFFAOYSA-N 209.201 1.944 5 30 BDBC in-vitro COC(=O)c1cc([N+](=O)[O-])cc(C)c1F 96300665 NZJCEXRMQOTMOX-UHFFFAOYSA-N 213.164 1.829 5 30 BDBC in-vitro CC(=O)OCc1ncc(C)c([N+](=O)[O-])c1C 139608658 NQXDXTJWDZWWAX-UHFFFAOYSA-N 224.216 1.670 5 30 BDBC CC(C)(C)OC(=O)NCCCC[N+](=O)[O-] 39094179 YZRQAKGDAIRQIT-UHFFFAOYSA-N 218.253 1.568 5 30 BDBC O=C1C[C@H](c2ccccc2[N+](=O)[O-])CN1 238643478 VXYWCDWFIPAOPF-ZETCQYMHSA-N 206.201 1.198 5 30 BDBC Nc1sc2ccc([N+](=O)[O-])cc2[n+]1[O-] 45237654 BNBUXPUKZWBTKB-UHFFFAOYSA-N 211.202 1.025 5 30 BDBC NNc1nc2c([N+](=O)[O-])cccc2s1 45237203 AVDOFMGETZDDRR-UHFFFAOYSA-N 210.218 1.490 5 30 BDBC CCOC(=O)C1CCC([N+](=O)[O-])CC1 261008095 VKAWQOZWOJYETD-UHFFFAOYSA-N 201.222 1.385 5 30 BDBC CNC(=C[N+](=O)[O-])NCc1ccc(Cl)nc1 2265222012 HVEUAXZJMGUHAT-UHFFFAOYSA-N 242.666 1.120 5 30 BDBC NNc1cc(Br)ccc1[N+](=O)[O-] 83730392 JVOKKQCLTWZTJS-UHFFFAOYSA-N 232.037 1.643 5 30 BDBC NNc1nc2cc([N+](=O)[O-])ccc2s1 45237198 MCZYTJKXOWEBIH-UHFFFAOYSA-N 210.218 1.490 5 30 BDBC Nc1cc(F)c([N+](=O)[O-])cc1C(=O)O 74942615 NVZBXVCRFGPOAJ-UHFFFAOYSA-N 200.125 1.014 5 30 BDBC in-vitro O=C(Nc1ccc([N+](=O)[O-])cc1)C1CCNCC1 34939006 JFBDQUQRCYWIMW-UHFFFAOYSA-N 249.270 1.533 5 30 BDBC Cc1cc([N+](=O)[O-])c(F)c(C(=O)O)c1F 238853264 IWBHXFCZDSPONS-UHFFFAOYSA-N 217.127 1.880 5 30 BDBC in-vitro Cc1cc(-c2ccccc2[N+](=O)[O-])nc(N)n1 52837918 BFNMGPJXQIENRW-UHFFFAOYSA-N 230.227 1.942 5 30 BDBC CCCNc1nc(OC)ccc1[N+](=O)[O-] 33637290 MVGVWQWWDOENQW-UHFFFAOYSA-N 211.221 1.820 5 30 BDBC C[C@H](N)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 83291876 NBJDRZKPGXNVQI-YFKPBYRVSA-N 211.177 1.523 5 30 BDBC NCCc1ccc(Cl)c([N+](=O)[O-])c1 107746167 DXNPBTRGBSRSFD-UHFFFAOYSA-N 200.625 1.749 5 30 BDBC Cc1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1C 26897403 MHTNLJYRURGLAC-UHFFFAOYSA-N 211.177 1.702 5 30 BDBC COC(=O)Cc1c(F)ccc([N+](=O)[O-])c1F 36467778 JJPRWZKMLLWYBW-UHFFFAOYSA-N 231.154 1.589 5 30 BDBC C[N+](C)(C)CCOc1cccc2c1OCCO2 31622898 BJJCKAUOWLFUME-UHFFFAOYSA-N 238.307 1.543 5 30 BDBC O=[N+]([O-])c1cnc(-c2ccccc2)nc1O 34079353 IXJREEIUKMAKFN-UHFFFAOYSA-N 217.184 1.757 5 30 BDBC CC[N+](CC)(CC)CCSC(=N)N 5688363 DRNOMFMICOLNOD-UHFFFAOYSA-N 204.363 1.490 5 30 BDBC COc1cc(CCN)cc([N+](=O)[O-])c1OC 84918244 QMLBQSDDRNQUMC-UHFFFAOYSA-N 226.232 1.113 5 30 BDBC O=C1CCOc2c1cc(F)cc2[N+](=O)[O-] 60052738 GQTVYGLTUVIQTG-UHFFFAOYSA-N 211.148 1.699 5 30 BDBC in-vitro CCOC(=O)c1nc2cc([N+](=O)[O-])ccc2[nH]1 71778153 UTHOELAKGYBOIJ-UHFFFAOYSA-N 235.199 1.648 5 30 BDBC CSc1nc(C)c([N+](=O)[O-])c(O)n1 238435807 HGGGBWXHXAZESB-UHFFFAOYSA-N 201.207 1.121 5 30 BDBC Nc1ncnc2c1c(=O)oc1ccccc12 201283984 ANSYCHQJSHLCLB-UHFFFAOYSA-N 213.196 1.318 5 30 BDBC O=[N+]([O-])c1ccc(CN2CCOCC2)cc1F 89065007 ACIOGCCQBJMRIE-UHFFFAOYSA-N 240.234 1.566 5 30 BDBC C[C@@H](N)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 82195862 USMLPLKAUZIPIG-RXMQYKEDSA-N 211.177 1.523 5 30 BDBC O=C(O)[C@@H]1CCc2ccc([N+](=O)[O-])cc21 39087018 PWEDZHJBRIDVHB-MRVPVSSYSA-N 207.185 1.709 5 30 BDBC Nc1cc2nc3ccccc3[nH]c-2cc1=O 100489695 QYKLYNXYTWZIRG-UHFFFAOYSA-N 211.224 1.610 5 30 BDBC C[C@H](C(=O)O)c1ccc([N+](=O)[O-])cc1F 95348258 RDQCPNADYHADDM-YFKPBYRVSA-N 213.164 1.922 5 30 BDBC in-vitro O=CNc1nc(-c2ccc([N+](=O)[O-])[nH]2)cs1 2001619 VWOLSYJETLROAW-UHFFFAOYSA-N 238.228 1.615 5 30 BDBC CC1(C)CC([N+](C)(C)CCO)CC(C)(C)N1[O] 104962553 OEEBLQXRNFLSEO-UHFFFAOYSA-N 244.379 1.422 5 30 BDBC Nc1ccn(-c2ccc([N+](=O)[O-])cc2)n1 34330033 UGUPUADULADGJC-UHFFFAOYSA-N 204.189 1.363 5 30 BDBC Cc1noc(/C=C/c2ccn[nH]2)c1[N+](=O)[O-] 5212103 KHJAWCIKDNZIMP-NSCUHMNNSA-N 220.188 1.785 5 30 BDBC Cc1cccc2c([N+](=O)[O-])cc[n+]([O-])c12 5782726 QWHBQAQVJHCYHB-UHFFFAOYSA-N 204.185 1.690 5 30 BDBC CN(C)c1ccnc(Cl)c1[N+](=O)[O-] 606275985 VEHQLCXTIQUNJI-UHFFFAOYSA-N 201.613 1.709 5 30 BDBC O=[N+]([O-])c1cccc(CN2CC[C@H](O)C2)c1 38538862 LKEWGWDXLPFRKT-NSHDSACASA-N 222.244 1.161 5 30 BDBC in-vitro CCN(CC)c1c([N+](=O)[O-])cncc1[N+](=O)[O-] 35569867 AHPIGBFMVWMRGM-UHFFFAOYSA-N 240.219 1.744 5 30 BDBC O=c1ccc2ccc3ccc(=O)[nH]c3c2[nH]1 139672793 OMZLSNCPNSHOHQ-UHFFFAOYSA-N 212.208 1.370 5 30 BDBC O=[N+]([O-])c1ccc2nn([N+](=O)[O-])c(Cl)c2c1 1572341 TZUUMLAKXRSPRV-UHFFFAOYSA-N 242.578 1.638 5 30 BDBC O=[N+]([O-])c1ccc2c(c1)N1CCN=C1S2 38635879 VCOKDIGXZMLYQD-UHFFFAOYSA-N 221.241 1.877 5 30 BDBC O=[N+]([O-])c1c(CO)ccc2ncccc12 44138474 CFORJIXMWLPLLM-UHFFFAOYSA-N 204.185 1.635 5 30 BDBC COC(=O)[C@@H](C)Oc1cccc([N+](=O)[O-])c1 47915267 VSADNSNVQLWDNW-SSDOTTSWSA-N 225.200 1.535 5 30 BDBC O=[N+]([O-])c1cnc2ccc(Cl)nc2c1O 96032305 FURSTBLOQYSOEM-UHFFFAOYSA-N 225.591 1.897 5 30 BDBC O=[N+]([O-])c1ccc(F)c(N2CCOCC2)c1 114012651 QAGRLLGFZROGAS-UHFFFAOYSA-N 226.207 1.571 5 30 BDBC CC(=O)N1CCC(=O)c2ccc([N+](=O)[O-])cc21 299805460 PGZIPZFMYPCXTI-UHFFFAOYSA-N 234.211 1.534 5 30 BDBC CCOC(=O)[C@@H](N)c1ccccc1[N+](=O)[O-] 39186809 ZICLRTSSQWUNIR-VIFPVBQESA-N 224.216 1.158 5 30 BDBC O=[N+]([O-])c1cc(F)cc2cc(O)cnc12 143156124 NNRYPWDBUNYNGE-UHFFFAOYSA-N 208.148 1.988 5 30 BDBC COC(=O)c1cc(C)nc(Cl)c1[N+](=O)[O-] 82346476 UYMZCNRHBIFZAK-UHFFFAOYSA-N 230.607 1.738 5 30 BDBC in-vitro