smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1nc([N+](=O)[O-])cn1CC(=O)NCCO 2192124 ATKRYXJWIFHSLT-UHFFFAOYSA-N 228.208 -0.792 5 50 BBBA Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O 238626290 NEQFWNDHTRMCKT-UHFFFAOYSA-N 217.206 -0.176 5 50 BBBA in-vitro C[C@H]1C[N+]2(CCS(=O)(=O)CC2)C[C@@]1(C)CO 1615610696 MLIAKPJLTKOAQT-QWRGUYRKSA-N 248.368 -0.120 5 50 BBBA Cn1cc([N+](=O)[O-])c(OCC(=O)O)n1 231673192 IQFRNNSXMRCDKM-UHFFFAOYSA-N 201.138 -0.208 5 50 BBBA Cn1cnc([N+](=O)[O-])c1C(=O)NCCCO 2478578 QOGMDYZYGUDRDI-UHFFFAOYSA-N 228.208 -0.560 5 50 BBBA NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 3885828 IHLRXXTYALIWND-UHFFFAOYSA-N 217.206 -0.253 5 50 BBBA in-vitro NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1687183 QSFQGKRLZCXSPE-UHFFFAOYSA-N 217.206 -0.253 5 50 BBBA CC(=O)NCCn1nc([N+](=O)[O-])nc1[N+](=O)[O-] 12379535 ASNMTGUAVFUDSR-UHFFFAOYSA-N 244.167 -0.769 5 50 BBBA O=[N+]([O-])c1ccc(S(=O)(=O)NCCO)cc1 35610844 RRXYYTBAMKTKSY-UHFFFAOYSA-N 246.244 -0.135 5 50 BBBA O=C(O)c1ccn(Cn2cnc([N+](=O)[O-])n2)n1 4294570 QENUOBGKWZSZQI-UHFFFAOYSA-N 238.163 -0.413 5 50 BBBA O=[N+]([O-])c1cn(CCO)c([N+](=O)[O-])n1 3877924 WNURBLVAAMWYCX-UHFFFAOYSA-N 202.126 -0.308 5 50 BBBA CCNc1[nH]c(=O)n(C)c(=O)c1[N+](=O)[O-] 4085842 XDLRGGOOLPRLIJ-UHFFFAOYSA-N 214.181 -0.586 5 50 BBBA NC(=S)N/N=c1\cc[nH]cc1[N+](=O)[O-] 4190840 ZUDLWPIEJUPHEC-UHFFFAOYSA-N 213.222 -0.428 5 50 BBBA COC[C@H](O)Cn1ccnc1[N+](=O)[O-] 13283639 OBBCSXFCDPPXOL-ZCFIWIBFSA-N 201.182 -0.201 5 50 BBBA investigational COC(=O)CCNc1nc([N+](=O)[O-])nn1C 4558143 JUHZBIAXFVUTCQ-UHFFFAOYSA-N 229.196 -0.302 5 50 BBBA Cc1[nH]c(C)c([N+](=O)[O-])c(=O)c1C(N)=O 5350115 NXBKMQPLPPKZRL-UHFFFAOYSA-N 211.177 -0.001 5 50 BBBA N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 35764 OCYJXSUPZMNXEN-BDAKNGLRSA-N 212.205 -0.052 5 50 BBBA biogenic Nc1nc(N)c([N+](=O)[O-])nc1[N+](=O)[O-] 4185273 QZQFSFHCMJAFJA-UHFFFAOYSA-N 200.114 -0.543 5 50 BBBA Nc1ncnc(NCCOCCO)c1[N+](=O)[O-] 3912500 KNLYOGHWSCBSHM-UHFFFAOYSA-N 243.223 -0.612 5 50 BBBA N[C@@H](Cc1ccc([N+](=O)[O-])cn1)C(=O)O 687731240 PQXDFQLCEJBRQV-ZETCQYMHSA-N 211.177 -0.056 5 50 BBBA Cn1ncc([N+](=O)[O-])c1C(=O)N1CCOCC1 175417 LBJTZJNCOBAOKN-UHFFFAOYSA-N 240.219 -0.199 5 50 BBBA O=[N+]([O-])[C@H]1CS(=O)(=O)C=C1N1CCOCC1 4991996 VKEOBSWLTLRDMS-QMMMGPOBSA-N 248.260 -0.766 5 50 BBBA N[n+]1cnn(CC(=O)c2ccccc2[N+](=O)[O-])c1 17137879 ORJZHWRRRWMAGA-UHFFFAOYSA-N 248.222 -0.325 5 50 BBBA NS(=O)(=O)c1cc(C(=O)O)ccc1[N+](=O)[O-] 1857783364 HCSZZFGVFIYPRJ-UHFFFAOYSA-N 246.200 -0.060 5 50 BBBA O=[N+]([O-])c1cccc(-[n+]2noc(O)n2)c1 2489547 FQANKJJOZJUQAS-UHFFFAOYSA-O 209.141 -0.040 5 50 BBBA N=c1[nH]c2c([N+](=O)[O-])cccc2[n+](=O)[nH]1 334157673 FXMDGROZKALHLE-UHFFFAOYSA-N 208.157 -0.202 5 50 BBBA NC(=O)c1cc(C(N)=O)cc([N+](=O)[O-])c1 1678488 SDQJTJLJXCWVQR-UHFFFAOYSA-N 209.161 -0.207 5 50 BBBA Cn1c([N+](=O)[O-])cnc1S(C)(=O)=O 6072271 RSOPCRYPVDDVAX-UHFFFAOYSA-N 205.195 -0.268 5 50 BBBA in-vitro NC(=O)c1cccc(C(N)=O)c1[N+](=O)[O-] 32914681 SGVRCXLEYPXYIS-UHFFFAOYSA-N 209.161 -0.207 5 50 BBBA in-vitro O=[N+]([O-])c1cc([N+](=O)[O-])c(O)[n+]([O-])c1 4086423 VAUCKYMJJFWMFQ-UHFFFAOYSA-N 201.094 -0.158 5 50 BBBA NCCc1nc2ncc([N+](=O)[O-])cn2n1 1857780984 AXMSXGCUWLXIOY-UHFFFAOYSA-N 208.181 -0.466 5 50 BBBA N[n+]1cnn(CC(=O)c2ccc([N+](=O)[O-])cc2)c1 13633085 KFXXYEXKJMJRAI-UHFFFAOYSA-N 248.222 -0.325 5 50 BBBA O=C(Cn1cnc([N+](=O)[O-])c1)N1CCOCC1 336313 PRWAGRCGSYYBJE-UHFFFAOYSA-N 240.219 -0.350 5 50 BBBA CO[C@H](C)[C@H]1[C@@H]([N+](C)(C)C)CS1(=O)=O 16952661 VBKYKUMTHZPFBI-VGMNWLOBSA-N 222.330 -0.107 5 50 BBBA CCOC(=O)Cn1ncc([N+](=O)[O-])n1 169794913 QDIMUFLMPDLLSM-UHFFFAOYSA-N 200.154 -0.251 5 50 BBBA CN1CCN(c2ncnc(N)c2[N+](=O)[O-])CC1 3912675 HEDYFGRLHPGNND-UHFFFAOYSA-N 238.251 -0.281 5 50 BBBA C[C@H]1C[N+]2(CCS(=O)(=O)CC2)C[C@]1(C)CO 1615610698 MLIAKPJLTKOAQT-WDEREUQCSA-N 248.368 -0.120 5 50 BBBA NS(=O)(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c1 97756682 DGRCSZFTPTUQGS-UHFFFAOYSA-N 246.200 -0.060 5 50 BBBA CN1CC2([N+](=O)[O-])CN(C)CC([N+](=O)[O-])(C1)C2 19537287 XNLABIJSWHXLRJ-UHFFFAOYSA-N 244.251 -0.702 5 50 BBBA O=S1(=O)CC[N+]2(CC1)C[C@H](O)C[C@@H]2C1CC1 1615610572 LFJKKFTWQBQJFM-GHMZBOCLSA-N 246.352 -0.225 5 50 BBBA C[N+]1(CCCS(=O)(=O)O)CCOCC1 1720084 OUBXNWVHYCHHDP-UHFFFAOYSA-O 224.302 -0.259 5 50 BBBA in-vitro O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCCN1 408516699 PYANTUAMSSYRSW-UHFFFAOYSA-N 239.235 -0.082 5 50 BBBA Nc1nc(NCCC(=O)O)ncc1[N+](=O)[O-] 263528251 VCMYCIZYEWZAHU-UHFFFAOYSA-N 227.180 -0.146 5 50 BBBA CC(=O)CN(C)c1nc(N)[nH]c(=O)c1[N+](=O)[O-] 4085844 PJGDEDUDGXWLPM-UHFFFAOYSA-N 241.207 -0.715 5 50 BBBA O=S1(=O)CC[N+]2(CC1)C[C@H](O)C[C@H]2C1CC1 1615610573 LFJKKFTWQBQJFM-MNOVXSKESA-N 246.352 -0.225 5 50 BBBA CC(=O)CC(=O)N1[C@H](O)CC[N+]1(C)C 302446 CDJHZCULDFPFRB-MRVPVSSYSA-N 201.246 -0.492 5 50 BBBA COc1ncnc(OCCO)c1[N+](=O)[O-] 2027158 KHGJRBHVHHENIB-UHFFFAOYSA-N 215.165 -0.236 5 50 BBBA C[n+]1ccn(-c2ccc([N+](=O)[O-])c[n+]2[O-])c1 5378027 FMFUZGPOHRTKHS-UHFFFAOYSA-N 221.196 -0.157 5 50 BBBA NC(=O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 169256 XJXYMIGVSHJOCY-UHFFFAOYSA-N 237.171 -0.012 5 50 BBBA CC(=O)Cn1nc([N+](=O)[O-])n2ncnc12 1051424 MLAZWHMNUOUNGV-UHFFFAOYSA-N 210.153 -0.577 5 50 BBBA CNc1nc(N(C)C)[nH]c(=O)c1[N+](=O)[O-] 4085845 BJMDOQQABXMFRE-UHFFFAOYSA-N 213.197 -0.214 5 50 BBBA N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 35765 OCYJXSUPZMNXEN-RKDXNWHRSA-N 212.205 -0.052 5 50 BBBA biogenic,in-vitro O=[N+]([O-])c1ccc([C@H](O)[C@@H](O)CO)cc1 56786 IUZVZBIQZKBWCC-IUCAKERBSA-N 213.189 -0.019 5 50 BBBA in-vitro CN(C)S(=O)(=O)n1nccc1[N+](=O)[O-] 261493773 IYGGQQUXERCQIC-UHFFFAOYSA-N 220.210 -0.554 5 50 BBBA CCOC(=O)CNc1ncnc(N)c1[N+](=O)[O-] 3912539 SAZICPHDUKRFOB-UHFFFAOYSA-N 241.207 -0.058 5 50 BBBA O=S1(=O)CC[N+]2(CC[C@@H]3CC[C@@H](O)[C@@H]32)CC1 1615610481 IAMDOVNXLGTMPP-HBNTYKKESA-N 246.352 -0.225 5 50 BBBA O=c1ccc(=O)c2c(=O)c3ccccc3c(=O)c1=2 397790 KNCZUXHSQJQWIB-UHFFFAOYSA-N 238.198 -0.119 5 50 BBBA CC(CC[C@@H](O)CO)([N+](=O)[O-])[N+](=O)[O-] 19319988 HKKVEPQNDQLBLY-RXMQYKEDSA-N 208.170 -0.611 5 50 BBBA Cc1n[nH]c([S@@](=O)CC(=O)O)c1[N+](=O)[O-] 4243866 IZZBZKPDICQHEE-OAHLLOKOSA-N 233.205 -0.181 5 50 BBBA O=S1(=O)CC[N+]2(CC[C@@](F)(CO)C2)CC1 1775988809 JOIRDMBBOFGISX-VIFPVBQESA-N 238.304 -0.664 5 50 BBBA CSc1n[n+]2c(O)c([N+](=O)[O-])nnc2[nH]1 379420261 IOMLSYAUCJOLJF-UHFFFAOYSA-O 229.201 -0.726 5 50 BBBA O=S1(=O)CC[N+]2(CC1)C[C@H]1COC[C@H]1C2 1775988695 ASZDWMKBYSXRKZ-AOOOYVTPSA-N 232.325 -0.492 5 50 BBBA Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCO 2491697 PGWMXVZVOFOCEX-UHFFFAOYSA-N 242.235 -0.402 5 50 BBBA NS(=O)(=O)c1cccc([N+](=O)[O-])c1O 200421474 JLUCGKKSEGPWMK-UHFFFAOYSA-N 218.190 -0.052 5 50 BBBA in-vitro O=C(Cn1ccc([N+](=O)[O-])n1)N1CCOCC1 1428845 UNRAWXSUALYSGL-UHFFFAOYSA-N 240.219 -0.350 5 50 BBBA O=S1(=O)CC[N+]2(CC1)C[C@H]1C[C@H](CO)[C@H]1C2 1775986703 OMAUIIUEXXFGIL-MXWKQRLJSA-N 246.352 -0.510 5 50 BBBA O=S1(=O)CC[N+]2(CC1)C[C@@H](O)C[C@H]2C1CC1 1615610575 LFJKKFTWQBQJFM-QWRGUYRKSA-N 246.352 -0.225 5 50 BBBA O=[N+]([O-])c1ccc([C@@H](O)[C@H](O)CO)cc1 56785 IUZVZBIQZKBWCC-RKDXNWHRSA-N 213.189 -0.019 5 50 BBBA in-vitro Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 3885128 DZJCUJCWFQPICK-UHFFFAOYSA-N 217.206 -0.176 5 50 BBBA in-vitro COC(=O)Cn1cccc([N+](=O)[O-])c1=O 44136877 ZMKHLIVBMSVMCP-UHFFFAOYSA-N 212.161 -0.071 5 50 BBBA O=S1(=O)CC[N+]2(CC1)[C@H]1CC[C@H]2COC1 1775988778 HREHUVLJJBQOIO-UWVGGRQHSA-N 232.325 -0.207 5 50 BBBA N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 35766 OCYJXSUPZMNXEN-IUCAKERBSA-N 212.205 -0.052 5 50 BBBA biogenic,in-vitro CO[C@H](C)[C@H]1[C@H]([N+](C)(C)C)CS1(=O)=O 4973149 VBKYKUMTHZPFBI-HLTSFMKQSA-N 222.330 -0.107 5 50 BBBA C[N+](C)(CCO)CCCS(=O)(=O)O 2379127 CNXPCGBLGHKAIL-UHFFFAOYSA-O 212.291 -0.667 5 50 BBBA in-vitro NC(CO)(CO)[C@@H](O)c1ccccc1[N+](=O)[O-] 96027492 JOBLYRMWTOMJLX-VIFPVBQESA-N 242.231 -0.690 5 50 BBBA N[C@@H](Cc1cnc(O)c([N+](=O)[O-])c1)C(=O)O 687730513 QAPOTKRKOKECHG-YFKPBYRVSA-N 227.176 -0.350 5 50 BBBA O=[N+]([O-])c1ccc([C@@H](O)[C@@H](O)CO)cc1 56787 IUZVZBIQZKBWCC-DTWKUNHWSA-N 213.189 -0.019 5 50 BBBA in-vitro C[C@H]1COCC[N+]2(CCS(=O)(=O)CC2)C1 1775988761 GQBPHVKJUDJYHI-SNVBAGLBSA-N 234.341 -0.102 5 50 BBBA O=C(O)CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] 95831584 ALYGFHXDFBTXMD-UHFFFAOYSA-N 223.097 -0.665 5 50 BBBA NC(CO)(CO)[C@H](O)c1ccccc1[N+](=O)[O-] 96027493 JOBLYRMWTOMJLX-SECBINFHSA-N 242.231 -0.690 5 50 BBBA C1C[N+]2(CCO1)CC[N+]1(CCOCC1)CC2 406188 XYCLZGQKBCMLBY-UHFFFAOYSA-N 228.336 -0.306 5 50 BBBA O=[N+]([O-])c1ccccc1S(=O)(=O)NCCO 2468867 UUFFUHLKZMSVPW-UHFFFAOYSA-N 246.244 -0.135 5 50 BBBA COC(=O)c1nc(O)[nH]c(=O)c1[N+](=O)[O-] 1675970 KPNLMRWITBJHTK-UHFFFAOYSA-N 215.121 -0.830 5 50 BBBA in-vitro O=C(O)CNC(=O)c1[nH]ncc1[N+](=O)[O-] 4126608 AECAAXYDLMQZMB-UHFFFAOYSA-N 214.137 -0.868 5 50 BBBA NS(=O)(=O)c1ccc(C(=O)O)cc1[N+](=O)[O-] 145479360 CVNYDIJDUSXBSC-UHFFFAOYSA-N 246.200 -0.060 5 50 BBBA CCOC(=O)c1nc(O)[nH]c(=O)c1[N+](=O)[O-] 1043127 DAZDARINDDLSLS-UHFFFAOYSA-N 229.148 -0.440 5 50 BBBA in-vitro NC(=O)c1ccc([N+](=O)[O-])cc1C(N)=O 56712 XWCDSCYRIROFIO-UHFFFAOYSA-N 209.161 -0.207 5 50 BBBA in-vitro COc1nc(OC)nc([N+]2(C)CCOCC2)n1 2506531 NZBKIOJQXNGENQ-UHFFFAOYSA-N 241.271 -0.144 5 50 BBBA in-vitro CNC(=O)CN(C=O)c1ncc([N+](=O)[O-])s1 71773228 HCFSHUZEJMDSKX-UHFFFAOYSA-N 244.232 -0.240 5 50 BBBA Cn1nc(C(=O)O)c([N+](=O)[O-])c1C(=O)O 1238569 MJLKEYGTMZKPAL-UHFFFAOYSA-N 215.121 -0.275 5 50 BBBA O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H](O)C1 408074661 VBIXGNSNFPNTIO-RXMQYKEDSA-N 226.192 -0.475 5 50 BBBA N=c1[nH]c2ccc([N+](=O)[O-])cc2[n+](=O)[nH]1 334157674 INMFVDKQPWYWSI-UHFFFAOYSA-N 208.157 -0.202 5 50 BBBA COC(=O)c1n[nH]c(C(=O)OC)c1[N+](=O)[O-] 4837508 RRANRLASTUBGSJ-UHFFFAOYSA-N 229.148 -0.109 5 50 BBBA in-vitro NC(=O)c1c([N+](=O)[O-])cnn1CCF 223252089 ZIJOORNSZCKSRU-UHFFFAOYSA-N 202.145 -0.140 5 50 BBBA C[N+](C)(C)CC(CO)(CO)C[N+](C)(C)C 399613 XHIRTCACLJOOBT-UHFFFAOYSA-N 220.357 -0.630 5 50 BBBA NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 5714363 CFIQDWBHKKESDK-UHFFFAOYSA-N 223.188 -0.190 5 50 BBBA O=S1(=O)CC[N+]2(CC1)C[C@@H](F)C[C@H]2CO 1615610659 MAUPOFUIVZQARS-IUCAKERBSA-N 238.304 -0.666 5 50 BBBA Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] 3878087 SWKWFVUPJOATMR-UHFFFAOYSA-N 225.208 -0.196 5 50 BBBA O=C(O)Cn1nc([N+](=O)[O-])cc1C(=O)O 4294503 QGLGRVCKAUOUKV-UHFFFAOYSA-N 215.121 -0.426 5 50 BBBA O=[N+]([O-])[C@@H]1CS(=O)(=O)C=C1N1CCOCC1 1229597 VKEOBSWLTLRDMS-MRVPVSSYSA-N 248.260 -0.766 5 50 BBBA O=S1(=O)CC[N+]2(CC[C@](F)(CO)C2)CC1 1775988808 JOIRDMBBOFGISX-SECBINFHSA-N 238.304 -0.664 5 50 BBBA CCOC(=O)Cn1nnc([N+](=O)[O-])n1 1076054 FJSRIWJWANJPSM-UHFFFAOYSA-N 201.142 -0.856 5 50 BBBA O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOCC1 3833169 BDGUBBIJHWFIRT-UHFFFAOYSA-N 226.192 -0.210 5 50 BBBA CO[C@H](C)[C@@H]1[C@@H]([N+](C)(C)C)CS1(=O)=O 16952658 VBKYKUMTHZPFBI-HRDYMLBCSA-N 222.330 -0.107 5 50 BBBA Cc1n[nH]c([S@](=O)CC(=O)O)c1[N+](=O)[O-] 4243868 IZZBZKPDICQHEE-HNNXBMFYSA-N 233.205 -0.181 5 50 BBBA COC[C@@H](O)Cn1ccnc1[N+](=O)[O-] 510 OBBCSXFCDPPXOL-LURJTMIESA-N 201.182 -0.201 5 50 BBBA investigational N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 35767 OCYJXSUPZMNXEN-DTWKUNHWSA-N 212.205 -0.052 5 50 BBBA biogenic Cn1c([N+](=O)[O-])cnc1COC(N)=O 1482167 PQFRTXSWDXZRRS-UHFFFAOYSA-N 200.154 -0.076 5 50 BBBA biogenic,in-man CCOC(=O)Cn1cnc([N+](=O)[O-])n1 1094008 IJKYMLBNYHCLIH-UHFFFAOYSA-N 200.154 -0.251 5 50 BBBA in-vitro Cn1nc([N+](=O)[O-])nc1-n1cc([N+](=O)[O-])cn1 3617019 FGORKTMTFNCJNM-UHFFFAOYSA-N 239.151 -0.183 5 50 BBBA CC1(C)C2([N+](=O)[O-])CNCC1([N+](=O)[O-])CNC2 19882127 YPURPDUJCCOAIV-UHFFFAOYSA-N 244.251 -0.750 5 50 BBBA COc1ccc([N+](=O)[O-])c(S(N)(=O)=O)n1 71765901 MXJWSXSONRMCAS-UHFFFAOYSA-N 233.205 -0.354 5 50 BBBA C[C@@H]1COCC[N+]2(CCS(=O)(=O)CC2)C1 1775988760 GQBPHVKJUDJYHI-JTQLQIEISA-N 234.341 -0.102 5 50 BBBA CC(=O)CC(=O)N1[C@@H](O)CC[N+]1(C)C 302444 CDJHZCULDFPFRB-QMMMGPOBSA-N 201.246 -0.492 5 50 BBBA CO[C@H](C)[C@@H]1[C@H]([N+](C)(C)C)CS1(=O)=O 4973148 VBKYKUMTHZPFBI-IWSPIJDZSA-N 222.330 -0.107 5 50 BBBA O=[N+]([O-])c1ccc(N(CCO)CCO)nc1 20320640 YUUZSBYKTCADTD-UHFFFAOYSA-N 227.220 -0.219 5 50 BBBA in-vitro N[C@H](Cc1cnc(O)c([N+](=O)[O-])c1)C(=O)O 687762218 QAPOTKRKOKECHG-RXMQYKEDSA-N 227.176 -0.350 5 50 BBBA CCOC(=O)CNC(=O)c1[nH]ncc1[N+](=O)[O-] 4170488 PCIXYKHPINYCRR-UHFFFAOYSA-N 242.191 -0.389 5 50 BBBA CC(CC[C@H](O)CO)([N+](=O)[O-])[N+](=O)[O-] 19319397 HKKVEPQNDQLBLY-YFKPBYRVSA-N 208.170 -0.611 5 50 BBBA O=C(O)c1[nH]nc([N+](=O)[O-])c1[N+](=O)[O-] 8295268 WHCXFJISYFMZSN-UHFFFAOYSA-N 202.082 -0.076 5 50 BBBA C[C@@H]1C[N+]2(CCS(=O)(=O)CC2)C[C@@]1(C)CO 1615610695 MLIAKPJLTKOAQT-MNOVXSKESA-N 248.368 -0.120 5 50 BBBA O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC1 408522846 MOJWVCLWQOMHOL-UHFFFAOYSA-N 226.192 -0.392 5 50 BBBA O=[N+]([O-])c1cnn(CCc2nn[nH]n2)c1 2537038 DGBDNYFQRIJAJQ-UHFFFAOYSA-N 209.169 -0.453 5 50 BBBA O=[N+]([O-])c1ccc([C@H](O)[C@H](O)CO)cc1 56784 IUZVZBIQZKBWCC-BDAKNGLRSA-N 213.189 -0.019 5 50 BBBA in-vitro O=C(O)c1n[nH]c(C(=O)O)c1[N+](=O)[O-] 1295917 DEGBMJMGROCSHR-UHFFFAOYSA-N 201.094 -0.286 5 50 BBBA O=S1(=O)CC[N+]2(CC1)C[C@@H](O)C[C@@H]2C1CC1 1615610577 LFJKKFTWQBQJFM-WDEREUQCSA-N 246.352 -0.225 5 50 BBBA C[C@@H]1C[N+]2(CCS(=O)(=O)CC2)C[C@]1(C)CO 1615610690 MLIAKPJLTKOAQT-GHMZBOCLSA-N 248.368 -0.120 5 50 BBBA O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOCC1 54879 MVRYZUKTOQPUQE-UHFFFAOYSA-N 240.219 -0.350 5 50 BBBA Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O 34539234 SKATTZSUUSDLRS-UHFFFAOYSA-N 217.206 -0.176 5 50 BBBA in-vitro