smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=[N+]([O-])c1ccc(CCO)c(F)c1 219093988 MVVPCXHRMBDTBV-UHFFFAOYSA-N 185.154 1.269 5 30 ADBC C[N+](C)(C)c1cccc(N)c1 403610 LMLUMAXYHUEBJH-UHFFFAOYSA-N 151.233 1.466 5 30 ADBC CCn1cccc1[N+](=O)[O-] 39078736 NOQHSYHYGOYCMI-UHFFFAOYSA-N 140.142 1.416 5 30 ADBC O=[N+]([O-])c1cncc2cc[nH]c12 89220878 YJRIZPDKNHISKT-UHFFFAOYSA-N 163.136 1.471 5 30 ADBC in-vitro Cc1nc2[nH]cc(N)c2cc1[N+](=O)[O-] 16678052 ZTTVWMZUDPJIRK-UHFFFAOYSA-N 192.178 1.362 5 30 ADBC C[N+](C)(C)CCOc1ccccc1 1446433 VCXBSHBJVUIQHJ-UHFFFAOYSA-N 180.271 1.772 5 30 ADBC NCc1cc([N+](=O)[O-])c(F)cc1F 37184035 QLSXWYLTLLIMGM-UHFFFAOYSA-N 188.133 1.332 5 30 ADBC O=c1ccccc2nc3ccccc3n12 95923155 DRLZWJWLLHPTAP-UHFFFAOYSA-N 196.209 1.848 5 30 ADBC Cn1c([N+](=O)[O-])nc2ccccc21 5116713 YGVJTZIZVPQREL-UHFFFAOYSA-N 177.163 1.482 5 30 ADBC Cc1ccc([N+](=O)[O-])cc1CN 2524627 GKYCQKHYOMZCHE-UHFFFAOYSA-N 166.180 1.362 5 30 ADBC Nc1c([N+](=O)[O-])ccc2cccnc12 196133077 GKEHJLSFVXBUPA-UHFFFAOYSA-N 189.174 1.725 5 30 ADBC O=C(O)C=CC1=CCC[C@@H]([N+](=O)[O-])C1 2265326427 PEYXGOWSKLZBEO-MRVPVSSYSA-N 197.190 1.383 5 30 ADBC C[N@+]1([O-])CCC[C@H]1c1ccc[n+]([O-])c1 250844683 GSXMRZNVDIMTTQ-JQWIXIFHSA-N 194.234 1.099 5 30 ADBC O=[N+]([O-])c1cc2c(Cl)nccn2n1 2265384462 DYPUAHYRLXTQHZ-UHFFFAOYSA-N 198.569 1.291 5 30 ADBC O=[N+]([O-])c1cccc([C@H]2C[C@@H](O)C2)c1 238853073 IGSLJEPUFNWWQH-WAAGHKOSSA-N 193.202 1.833 5 30 ADBC O=[N+]([O-])c1cnc(Cl)c2nc[nH]c12 6740820 KEJIDRWGWWHUBD-UHFFFAOYSA-N 198.569 1.520 5 30 ADBC C[C@H](O)c1ccc(O)c([N+](=O)[O-])c1 14492571 YFJFHPWXFUVRCD-YFKPBYRVSA-N 183.163 1.354 5 30 ADBC O=[N+]([O-])c1cnc(F)c(Cl)c1 306813260 AEOGTIHVOKJMOS-UHFFFAOYSA-N 176.534 1.782 5 30 ADBC CC(C)Oc1c[n+]([O-])ccc1[N+](=O)[O-] 39117329 MVFXFRFRZKJDQK-UHFFFAOYSA-N 198.178 1.015 5 30 ADBC Cc1c(O)ccc([N+](=O)[O-])c1[N+](=O)[O-] 33649248 IUOFDOCUNLJHFO-UHFFFAOYSA-N 198.134 1.517 5 30 ADBC Nc1cc([N+](=O)[O-])cc2[nH]cnc12 95922765 RBEIMJLWILGYLD-UHFFFAOYSA-N 178.151 1.053 5 30 ADBC O=[N+]([O-])[C@@H](F)[C@H](O)c1ccccc1 39055011 CITFHQIDQZQOMU-HTQZYQBOSA-N 185.154 1.292 5 30 ADBC C[N+]1(C)C[C@@H]2CCC[C@H](C1)C2=O 214086251 IWPBJJZMIYNCCR-DTORHVGOSA-N 168.260 1.062 5 30 ADBC Nc1csc([N+](=O)[O-])c1 81144695 QUICPOIQCAJAJL-UHFFFAOYSA-N 144.155 1.239 5 30 ADBC NC(=S)c1ccccc1[N+](=O)[O-] 6513772 YERIUXACOMCCJG-UHFFFAOYSA-N 182.204 1.229 5 30 ADBC in-vitro Cc1c([N+](=O)[O-])ccc(N)c1C(=O)O 34516240 MLRJGGLSAKYLRT-UHFFFAOYSA-N 196.162 1.184 5 30 ADBC CSc1ccc([N+](=O)[O-])c(N)c1 38996195 NWHJZKYOSJGALD-UHFFFAOYSA-N 184.220 1.899 5 30 ADBC CC[N+](C#N)(CC)CC 114038020 ZDVOVXJBWWKMSA-UHFFFAOYSA-N 127.211 1.344 5 30 ADBC COc1cc(C)cc([N+](=O)[O-])c1O 28617735 XCCSGOQCJPMXBK-UHFFFAOYSA-N 183.163 1.617 5 30 ADBC O=Cc1ccoc1[N+](=O)[O-] 39060889 ZHBVTFWXCLZIEG-UHFFFAOYSA-N 141.082 1.000 5 30 ADBC C[C@H](N)c1ccc(F)c([N+](=O)[O-])c1 75416865 JIYHZAWZKXXOQJ-YFKPBYRVSA-N 184.170 1.754 5 30 ADBC CN(C)Cc1ccc(N)c([N+](=O)[O-])c1 50792921 ZVIOAVVHBYSARU-UHFFFAOYSA-N 195.222 1.239 5 30 ADBC in-vitro O=[N+]([O-])c1cc(CO)cs1 37472388 MEFGIBFSOQRRAZ-UHFFFAOYSA-N 159.166 1.149 5 30 ADBC CC(C)(C)OCC[N+](=O)[O-] 2539592 JQXURDVBNVDPPC-UHFFFAOYSA-N 147.174 1.078 5 30 ADBC O=[N+]([O-])c1ccccc1[C@H]1CCNC1 71506065 PCJGXIRZPSIJGH-QMMMGPOBSA-N 192.218 1.672 5 30 ADBC COc1cc(CCO)ccc1[N+](=O)[O-] 85223407 JCFZFLNOEQDXIZ-UHFFFAOYSA-N 197.190 1.138 5 30 ADBC CCn1nc(C)c([N+](=O)[O-])c1Cl 85019151 JUEYFGYMSCITJF-UHFFFAOYSA-N 189.602 1.773 5 30 ADBC in-vitro C[C@@H](O)c1cc([N+](=O)[O-])ccc1F 95637094 PCSJHPZLGMEIIY-RXMQYKEDSA-N 185.154 1.787 5 30 ADBC O=c1ccc2ccc([N+](=O)[O-])cc2o1 22064613 XSECDQPYFOEVPU-UHFFFAOYSA-N 191.142 1.701 5 30 ADBC in-vitro Cc1cc(N)c(F)cc1[N+](=O)[O-] 306395984 HNNNLHBGIDMNAK-UHFFFAOYSA-N 170.143 1.625 5 30 ADBC Cc1ccc(N)c(C)c1[N+](=O)[O-] 39625631 MCRYBELDVGNCFW-UHFFFAOYSA-N 166.180 1.794 5 30 ADBC COc1nc2[nH]ccc2cc1[N+](=O)[O-] 95919833 BJTMAZBBFMOCIT-UHFFFAOYSA-N 193.162 1.480 5 30 ADBC in-vitro C[C@H]([C@@H](O)c1ccccc1F)[N+](=O)[O-] 141692371 ZEOLJLDCYNVQTL-HZGVNTEJSA-N 199.181 1.524 5 30 ADBC O=[N+]([O-])c1c[nH]c2ncc(F)cc12 44712678 CPULWMIJMOUHBL-UHFFFAOYSA-N 181.126 1.610 5 30 ADBC CCOC(CC[N+](=O)[O-])OCC 96336885 GYOMHDIHFFHNJY-UHFFFAOYSA-N 177.200 1.052 5 30 ADBC O=[N+]([O-])c1ccc2c(c1)CONC2 2015793 ZOZABKCYUYXXRS-UHFFFAOYSA-N 180.163 1.130 5 30 ADBC COc1cc(C)c([N+](=O)[O-])c(OC)c1 337717 GRNKAWLLLBFVTO-UHFFFAOYSA-N 197.190 1.920 5 30 ADBC CNc1cc(NC)c([N+](=O)[O-])cc1F 72266582 JSPGKQOVOPWMNL-UHFFFAOYSA-N 199.185 1.817 5 30 ADBC in-vitro O=C(CF)c1cccc([N+](=O)[O-])c1 38338716 RCWJMAXPPJAFCJ-UHFFFAOYSA-N 183.138 1.747 5 30 ADBC COc1c(O)cccc1[N+](=O)[O-] 34122856 JBDBITFUVSELQN-UHFFFAOYSA-N 169.136 1.309 5 30 ADBC CCC(CC)[N+](=O)[O-] 101103940 RXPKOTQRDGEKFY-UHFFFAOYSA-N 117.148 1.452 5 30 ADBC CC(C)Oc1cccc(N)c1[N+](=O)[O-] 87841301 BMJUWZJMAOEMBH-UHFFFAOYSA-N 196.206 1.964 5 30 ADBC Nc1cc([N+](=O)[O-])c2cn[nH]c2c1 16678112 YRASALICQLGFBA-UHFFFAOYSA-N 178.151 1.053 5 30 ADBC in-vitro O=[N+]([O-])c1ccccc1[C@@H]1CCNC1 71506064 PCJGXIRZPSIJGH-MRVPVSSYSA-N 192.218 1.672 5 30 ADBC O=[N+]([O-])[C@H](F)[C@@H](O)c1ccccc1 39055012 CITFHQIDQZQOMU-YUMQZZPRSA-N 185.154 1.292 5 30 ADBC O=C1O[C@H]([N+](=O)[O-])Cc2ccccc21 69280 MABHGIDDOAIINX-QMMMGPOBSA-N 193.158 1.002 5 30 ADBC C[C@@H]([C@H](O)c1ccccc1F)[N+](=O)[O-] 196077261 ZEOLJLDCYNVQTL-RCOVLWMOSA-N 199.181 1.524 5 30 ADBC O=[N+]([O-])c1cnc(F)s1 39088348 BCVQTNQOJXCIMX-UHFFFAOYSA-N 148.118 1.190 5 30 ADBC C[C@@H](C(=O)O)c1ccccc1[N+](=O)[O-] 98087574 BCYIUCVPTJDUPV-ZCFIWIBFSA-N 195.174 1.783 5 30 ADBC O=[N+]([O-])c1ccc2ncn(O)c2c1 45238276 BYDHDSPHNDAGLR-UHFFFAOYSA-N 179.135 1.182 5 30 ADBC O=[N+]([O-])c1ccc2c(CO)noc2c1 71973197 WOTLJABKEIVBCC-UHFFFAOYSA-N 194.146 1.228 5 30 ADBC O=C(O)c1cc([N+](=O)[O-])ccc1S 34108885 YHKUPPYODIHLRV-UHFFFAOYSA-N 199.187 1.582 5 30 ADBC Cc1cc([N+](=O)[O-])c(F)cn1 79185385 WVRFCQAUQGMHBV-UHFFFAOYSA-N 156.116 1.437 5 30 ADBC O=[N+]([O-])c1cnccc1NCC1CC1 20370203 OYGSYNARICHCKO-UHFFFAOYSA-N 193.206 1.812 5 30 ADBC N[C@H]1CCCc2c1cccc2[N+](=O)[O-] 95786708 CFQUNEMTUSTEBY-VIFPVBQESA-N 192.218 1.931 5 30 ADBC Cc1[nH]ccc1[N+](=O)[O-] 34514919 NQCYQNKJWSCCGX-UHFFFAOYSA-N 126.115 1.231 5 30 ADBC O=[N+]([O-])[C@H](F)[C@H](O)c1ccccc1 39055013 CITFHQIDQZQOMU-SFYZADRCSA-N 185.154 1.292 5 30 ADBC O=C(O)c1cc([N+](=O)[O-])c(Cl)[nH]1 108268280 JDTGWHIJVBCPIN-UHFFFAOYSA-N 190.542 1.275 5 30 ADBC Cc1n[nH]c2c(N)cc([N+](=O)[O-])cc12 89200622 LQFKGBKRZQEICA-UHFFFAOYSA-N 192.178 1.362 5 30 ADBC Nc1ccc([CH][N+](=O)[O-])cc1 223561582 ZKNWACYNETWSLJ-UHFFFAOYSA-N 151.145 1.055 5 30 ADBC O=Cc1c([N+](=O)[O-])ccc2c1OCO2 39240409 NFIMAKMUYBBCOI-UHFFFAOYSA-N 195.130 1.136 5 30 ADBC Cn1c([N+](=O)[O-])cnc1C1CC1 5116568 DQOYEOYSZVBYQN-UHFFFAOYSA-N 167.168 1.206 5 30 ADBC C[C@@H]1CC[C@H](C[N+](C)(C)C)[C@H]1O 6031002 GYLNYMAKTYJKEZ-BBBLOLIVSA-N 172.292 1.100 5 30 ADBC Cc1c([N+](=O)[O-])ccc(F)c1N 216715067 BKPALQLYSLKWGR-UHFFFAOYSA-N 170.143 1.625 5 30 ADBC O=[N+]([O-])/C=C/C(F)(F)Cl 90367182 KDGMJXVWZYLJAY-OWOJBTEDSA-N 157.503 1.608 5 30 ADBC CCCCC(=O)OCC[N+](C)(C)C 1569575 NDWNNGOMAATBHL-UHFFFAOYSA-N 188.291 1.426 5 30 ADBC O=[N+]([O-])c1cnccc1N1CCCC1 146437101 VPDKFZFEMLJRDJ-UHFFFAOYSA-N 193.206 1.590 5 30 ADBC COc1c(N)ccc(F)c1[N+](=O)[O-] 575727995 YSVDABATHQBBKE-UHFFFAOYSA-N 186.142 1.325 5 30 ADBC NCc1cccc([N+](=O)[O-])c1F 226171348 FTAJZDNAYOSQMO-UHFFFAOYSA-N 170.143 1.193 5 30 ADBC O=C(O)c1cc(S)ccc1[N+](=O)[O-] 2046780 GANZODCWZFAEGN-UHFFFAOYSA-N 199.187 1.582 5 30 ADBC in-vivo NCc1cccc(Cl)c1[N+](=O)[O-] 83341238 IQPCFFSRDQPOIU-UHFFFAOYSA-N 186.598 1.707 5 30 ADBC COc1ccc(CCN)cc1[N+](=O)[O-] 14492581 VVURPGSRPLBVFO-UHFFFAOYSA-N 196.206 1.105 5 30 ADBC COc1ccc2[nH]cc([N+](=O)[O-])c2n1 44712856 BXFCYFNGVXEGTI-UHFFFAOYSA-N 193.162 1.480 5 30 ADBC in-vitro CN(C)c1ccc([N+](=O)[O-])cc1CO 20468216 OPCYVWYGJNKLES-UHFFFAOYSA-N 196.206 1.153 5 30 ADBC Cc1cc([N+](=O)[O-])ccc1NC(=N)N 21986932 STXXMCQQEVOHHE-UHFFFAOYSA-N 194.194 1.209 5 30 ADBC in-vitro O=[N+]([O-])[C@@H]1C[C@@H]2C=C[C@H]1CC2 4683078 QPTQFVXHLZJUIK-GJMOJQLCSA-N 153.181 1.618 5 30 ADBC Cc1ccc([N+](=O)[O-])c(F)c1O 306576379 KFAZLBABZSSUGP-UHFFFAOYSA-N 171.127 1.748 5 30 ADBC CC(=O)Nc1sncc1[N+](=O)[O-] 38434549 XAIQJNBBVILKCH-UHFFFAOYSA-N 187.180 1.010 5 30 ADBC CC(C)(O)c1cccc([N+](=O)[O-])c1 146805929 FSTBHXLXUYXNKJ-UHFFFAOYSA-N 181.191 1.822 5 30 ADBC O=[N+]([O-])c1cnc2ccncc2c1 39384901 IWVPIEGKWBOSSO-UHFFFAOYSA-N 175.147 1.538 5 30 ADBC O=[N+]([O-])c1cnccc1OC(F)F 238531635 FEVJSTPDIPGFNA-UHFFFAOYSA-N 190.105 1.591 5 30 ADBC in-vitro O=[N+]([O-])c1ccc2ncncc2c1 32220211 RPTKRGHYKSBDJL-UHFFFAOYSA-N 175.147 1.538 5 30 ADBC O=Cc1cscc1[N+](=O)[O-] 39063166 KBCAIPIBEOQNDJ-UHFFFAOYSA-N 157.150 1.469 5 30 ADBC COc1cc(F)cc(N)c1[N+](=O)[O-] 217945914 CDBVQSPCFPKING-UHFFFAOYSA-N 186.142 1.325 5 30 ADBC O=[N+]([O-])c1cc2[nH]ccc2cn1 14985689 NKDYJOFWMSSDFZ-UHFFFAOYSA-N 163.136 1.471 5 30 ADBC in-vitro O=[N+]([O-])c1cc(Cl)ncc1F 214935386 YTVIFRUTAIUPNR-UHFFFAOYSA-N 176.534 1.782 5 30 ADBC Nc1ncnc2ccc([N+](=O)[O-])cc12 39384142 ZFFCTRQTOAVIJS-UHFFFAOYSA-N 190.162 1.120 5 30 ADBC Cc1cc(N)c([N+](=O)[O-])c(C)c1N 95670458 NXFZKAWSZHWLSZ-UHFFFAOYSA-N 181.195 1.376 5 30 ADBC CCOc1ccc([N+](=O)[O-])nc1 71623935 IXVHPVKSEBHJDB-UHFFFAOYSA-N 168.152 1.389 5 30 ADBC COCCNc1ccncc1[N+](=O)[O-] 20370169 FEZKICYLLLNWNN-UHFFFAOYSA-N 197.194 1.048 5 30 ADBC in-vitro CNc1ccc([N+](=O)[O-])cc1F 20474732 QOMGYYDCVLVQOT-UHFFFAOYSA-N 170.143 1.776 5 30 ADBC Nc1cncc2cccc([N+](=O)[O-])c12 261508795 WYTWWVZLRYQEBC-UHFFFAOYSA-N 189.174 1.725 5 30 ADBC C[S@@](=O)Cc1ccc([N+](=O)[O-])cc1 34534804 XJQGAIWLCGGJBP-ZDUSSCGKSA-N 199.231 1.473 5 30 ADBC O=c1[nH]ccc2cccc([N+](=O)[O-])c12 82767312 DKSDBIADEHKAKZ-UHFFFAOYSA-N 190.158 1.436 5 30 ADBC CN(C)[C@@H](c1ccccc1)[N+](=O)[O-] 33610874 NJACXLNZLIIPJQ-SECBINFHSA-N 180.207 1.524 5 30 ADBC Nc1cnc2ccccc2c1[N+](=O)[O-] 39648837 GXZGVMWJYIYFPU-UHFFFAOYSA-N 189.174 1.725 5 30 ADBC CCc1nn(C)c(Cl)c1[N+](=O)[O-] 85018528 AEMZISRFJQRMBE-UHFFFAOYSA-N 189.602 1.544 5 30 ADBC in-vitro O=c1cc[nH]c2cccc([N+](=O)[O-])c12 34450064 BVZBDPJGFIMXLC-UHFFFAOYSA-N 190.158 1.436 5 30 ADBC O=[N+]([O-])c1cncc(Cl)n1 78237573 WJUQEURLLVJUFK-UHFFFAOYSA-N 159.532 1.038 5 30 ADBC Cc1cc([N+](=O)[O-])c2cn[nH]c2c1 14984629 DLKUQAHLXGZFPM-UHFFFAOYSA-N 177.163 1.780 5 30 ADBC in-vitro CCc1n[nH]c(CC)c1[N+](=O)[O-] 306223757 YVRKFRZHQQSEQH-UHFFFAOYSA-N 169.184 1.443 5 30 ADBC Cc1cc(N)cc([N+](=O)[O-])c1O 96332012 UDLIJCWLNMTQCF-UHFFFAOYSA-N 168.152 1.191 5 30 ADBC C[S@](=O)Cc1ccc([N+](=O)[O-])cc1 34534805 XJQGAIWLCGGJBP-CYBMUJFWSA-N 199.231 1.473 5 30 ADBC O=Cc1ccc([N+](=O)[O-])c(Cl)n1 107132392 YRORVDGQYVNXQD-UHFFFAOYSA-N 186.554 1.456 5 30 ADBC O=C(O)c1ccc([N+](=O)[O-])c(S)c1 116319021 AIZFMMQFUASJCC-UHFFFAOYSA-N 199.187 1.582 5 30 ADBC Cc1c(CCO)cccc1[N+](=O)[O-] 136462550 LBOLDCCWPUYOFS-UHFFFAOYSA-N 181.191 1.438 5 30 ADBC in-vitro Cc1ncc([N+](=O)[O-])s1 6072175 YIFARGVNPMLZTQ-UHFFFAOYSA-N 144.155 1.360 5 30 ADBC O=[N+]([O-])c1cc(C(F)F)ns1 2265360073 YBHOZSZDWVZQOH-UHFFFAOYSA-N 180.135 1.989 5 30 ADBC C=Cc1c(C(=O)O)cccc1[N+](=O)[O-] 39083846 QYRLGZIKRAGEQG-UHFFFAOYSA-N 193.158 1.936 5 30 ADBC CNc1nccc(C)c1[N+](=O)[O-] 34091028 XBJWTEGSOBZOOB-UHFFFAOYSA-N 167.168 1.340 5 30 ADBC O=[N+]([O-])c1cc(Br)c[nH]1 306308692 QRDPPSULJJCBEX-UHFFFAOYSA-N 190.984 1.685 5 30 ADBC N[C@@H]1CCCc2c1cccc2[N+](=O)[O-] 95786763 CFQUNEMTUSTEBY-SECBINFHSA-N 192.218 1.931 5 30 ADBC O=[N+]([O-])[C@@H]1C[C@H]1C(F)(F)F 958678531 NSFSOHGRROEBMR-PWNYCUMCSA-N 155.075 1.214 5 30 ADBC Cc1ccoc1[N+](=O)[O-] 39438373 WVEBQLYBLXZPNF-UHFFFAOYSA-N 127.099 1.496 5 30 ADBC C[C@@H](O)c1ccc(O)c([N+](=O)[O-])c1 14492568 YFJFHPWXFUVRCD-RXMQYKEDSA-N 183.163 1.354 5 30 ADBC CC(=O)Nc1cc([N+](=O)[O-])c(C)o1 39126320 RGXNGAFGDOGDMP-UHFFFAOYSA-N 184.151 1.455 5 30 ADBC CN(C)[C@H](c1ccccc1)[N+](=O)[O-] 33610873 NJACXLNZLIIPJQ-VIFPVBQESA-N 180.207 1.524 5 30 ADBC O=[N+]([O-])C1=CC[CH]C=C1 100133414 DOOVMQDCXRUFNK-UHFFFAOYSA-N 124.119 1.311 5 30 ADBC COc1cc(O)c(C)c([N+](=O)[O-])c1 14986323 YGWXHISJUYYMSR-UHFFFAOYSA-N 183.163 1.617 5 30 ADBC in-vitro O=[N+]([O-])c1cc(F)nc(F)c1 306651427 SECYBHQWKXUPOB-UHFFFAOYSA-N 160.079 1.268 5 30 ADBC O=C(O)Cc1cccc([N+](=O)[O-])c1F 226172313 BCNJSZZIANNVFH-UHFFFAOYSA-N 199.137 1.361 5 30 ADBC CCC(=O)c1ccc(O)c([N+](=O)[O-])c1 36262885 ZXXQSUUUGORSCV-UHFFFAOYSA-N 195.174 1.893 5 30 ADBC Cc1ccnc([N+](=O)[O-])c1C 39123506 WGARJWGAZMETKS-UHFFFAOYSA-N 152.153 1.607 5 30 ADBC CCOc1cc([N+](=O)[O-])ccc1O 31490212 GIHYKBDWFSOKNN-UHFFFAOYSA-N 183.163 1.699 5 30 ADBC O=[N+]([O-])c1cccc2c1NCCN2 39114182 MOSZQDFXODVKPF-UHFFFAOYSA-N 179.179 1.432 5 30 ADBC Cc1cc2c(cc1[N+](=O)[O-])NCC2 90225737 BMGLKQQAARHMOW-UHFFFAOYSA-N 178.191 1.871 5 30 ADBC in-vitro O=[N+]([O-])[C@@H]1CCCC[C@H]1F 39088301 UTHRTOMJXHRMMT-PHDIDXHHSA-N 147.149 1.544 5 30 ADBC CC(=O)c1ccc(CO)c([N+](=O)[O-])c1 95830697 NOMJRIWSCRRZEG-UHFFFAOYSA-N 195.174 1.290 5 30 ADBC O=[N+]([O-])c1cc2ocnc2cc1F 74942303 IMNFCYSLWDDQRS-UHFFFAOYSA-N 182.110 1.875 5 30 ADBC Nc1c([N+](=O)[O-])oc2ccccc12 84305350 XDEOQDXQNVFRGE-UHFFFAOYSA-N 178.147 1.923 5 30 ADBC O=[N+]([O-])c1cc[nH]c1Cl 104709012 DRVGSTOYBHWTRB-UHFFFAOYSA-N 146.533 1.576 5 30 ADBC in-vitro C[N+](C)(C)CCC[n+]1ccccc1 5764622 VPIAARVDOCGUCZ-UHFFFAOYSA-N 180.295 1.070 5 30 ADBC C[N+](C)(C)c1cccc([N+](=O)[O-])c1 13605072 XWUIDCOCPBPGFY-UHFFFAOYSA-N 181.215 1.792 5 30 ADBC in-vivo O=[N+]([O-])c1ccc(F)c(CO)c1F 118074420 PJAYEVAHCDPHOX-UHFFFAOYSA-N 189.117 1.365 5 30 ADBC in-vitro NC(=S)c1csc([N+](=O)[O-])c1 1043506 RSSFJRVXNKFIGT-UHFFFAOYSA-N 188.233 1.291 5 30 ADBC O=[N+]([O-])c1cccc(CCCO)c1 34484526 ULRDXMHMSLAYDJ-UHFFFAOYSA-N 181.191 1.520 5 30 ADBC O=[N+]([O-])c1cc(O)cc2[nH]ncc12 14983080 BJMMZNBQVYKORW-UHFFFAOYSA-N 179.135 1.177 5 30 ADBC O=[N+]([O-])/C=C/C(F)(F)C(F)(F)F 225096273 JLFNUYOHWUNVMI-OWOJBTEDSA-N 191.055 1.974 5 30 ADBC Cc1cc(O)c(F)cc1[N+](=O)[O-] 91364313 SPJZXYAUBGEMBX-UHFFFAOYSA-N 171.127 1.748 5 30 ADBC in-vitro O=[N+]([O-])CCCC(F)(F)F 142363461 HWSQUNJZNMYSDT-UHFFFAOYSA-N 157.091 1.606 5 30 ADBC CC/C(=C(/CC)[N+](=O)[O-])[N+](=O)[O-] 37625013 KQIWPQXBIFDSMD-AATRIKPKSA-N 174.156 1.571 5 30 ADBC COCc1ccc([N+](=O)[O-])cc1F 238854950 PUVOVAXGFNICHD-UHFFFAOYSA-N 185.154 1.880 5 30 ADBC in-vitro C[C@H](C(=O)O)c1ccccc1[N+](=O)[O-] 98087573 BCYIUCVPTJDUPV-LURJTMIESA-N 195.174 1.783 5 30 ADBC O=[N+]([O-])c1c(O)ccc2ncccc12 1513052 VNTMHRXHQYOVLK-UHFFFAOYSA-N 190.158 1.849 5 30 ADBC CC(C)(O)c1ccc(F)c([N+](=O)[O-])c1 306982614 JRATVYBIWIIGSU-UHFFFAOYSA-N 199.181 1.961 5 30 ADBC CCC(=O)S[C@H](C)C[N+](C)(C)C 20232638 OEZLDQCKRRAYHM-MRVPVSSYSA-N 190.332 1.751 5 30 ADBC Cc1nc(O)c(Cl)cc1[N+](=O)[O-] 616575598 FLUALWYBEARFEP-UHFFFAOYSA-N 188.570 1.657 5 30 ADBC Cc1cc(C=O)cc([N+](=O)[O-])c1F 306944559 YJSKSWVZEDKHQQ-UHFFFAOYSA-N 183.138 1.855 5 30 ADBC O=c1[nH]c2cccc([N+](=O)[O-])c2s1 45235648 NQGONBNOWKZYTD-UHFFFAOYSA-N 196.187 1.498 5 30 ADBC COc1ccc([C@@H](O)C[N+](=O)[O-])cc1 33506388 KLESIDDCPSMIRB-VIFPVBQESA-N 197.190 1.005 5 30 ADBC Nc1cc(Cl)cc([N+](=O)[O-])c1N 33839131 PIPKLZRJGNJMBY-UHFFFAOYSA-N 187.586 1.413 5 30 ADBC CNc1ccc(N)cc1[N+](=O)[O-] 38609641 CUUOESLUUQBFTM-UHFFFAOYSA-N 167.168 1.219 5 30 ADBC C1CC[N+]2(CC1)CCSCC2 38648294 ULVUXVQMMWHBFT-UHFFFAOYSA-N 172.317 1.734 5 30 ADBC CCC(=O)S[C@@H](C)C[N+](C)(C)C 2509991 OEZLDQCKRRAYHM-QMMMGPOBSA-N 190.332 1.751 5 30 ADBC O=Cc1c([N+](=O)[O-])[nH]c2ccccc12 196833113 LWALXHVEMHTZHP-UHFFFAOYSA-N 190.158 1.889 5 30 ADBC C[C@@H]([C@@H](O)c1ccccc1F)[N+](=O)[O-] 196077273 ZEOLJLDCYNVQTL-IMTBSYHQSA-N 199.181 1.524 5 30 ADBC O=[N+]([O-])c1ccc(-c2cn[nH]n2)cc1 32224037 HXIHDBOLXXRPOZ-UHFFFAOYSA-N 190.162 1.380 5 30 ADBC COc1ccc([C@H](C)N)cc1[N+](=O)[O-] 3705694 RKBYKKHHYOGSRL-LURJTMIESA-N 196.206 1.623 5 30 ADBC O=[N+]([O-])c1ccc(NC2COC2)cc1 8699812 NTCZFBXKDDWCIW-UHFFFAOYSA-N 194.190 1.406 5 30 ADBC Cc1c(NO)cccc1[N+](=O)[O-] 95851965 HIXIHBIHMDSOMK-UHFFFAOYSA-N 168.152 1.704 5 30 ADBC O=[N+]([O-])c1c(O)ccc2[nH]ccc12 34628462 RETYFVFLZKTNQL-UHFFFAOYSA-N 178.147 1.782 5 30 ADBC in-vitro CCC(=O)c1ccc(N)c([N+](=O)[O-])c1 221438283 WJXNSSZXGGXPTE-UHFFFAOYSA-N 194.190 1.770 5 30 ADBC O=[N+]([O-])c1cc(O)cc(O)c1 13511462 VNIXZWLYQDIGNU-UHFFFAOYSA-N 155.109 1.006 5 30 ADBC O=C1OCc2cc([N+](=O)[O-])ccc21 34161226 XCCQAOSVHLEFJJ-UHFFFAOYSA-N 179.131 1.265 5 30 ADBC COc1cc([N+](=O)[O-])cnc1OC 5329725 HTWDEVOJAUAPPY-UHFFFAOYSA-N 184.151 1.007 5 30 ADBC C/C(=C/c1ccc([N+](=O)[O-])o1)C(=O)O 173094 DAUWDSUMQISFQD-PLNGDYQASA-N 197.146 1.676 5 30 ADBC O=[N+]([O-])c1ccc(O[C@H]2CO2)cc1 6093330 LCDJFVGAKJGCGB-QMMMGPOBSA-N 181.147 1.330 5 30 ADBC Cc1cc([N+](=O)[O-])sn1 196425105 HKGMYRZVUOKEGG-UHFFFAOYSA-N 144.155 1.360 5 30 ADBC O=[N+]([O-])c1ccc(C2CC2)nc1 91364291 QZZQXRLRLSTKJL-UHFFFAOYSA-N 164.164 1.867 5 30 ADBC in-vitro Cc1ccc([N+](=O)[O-])c(O)c1C(=O)O 39084385 MZLBVXGCENMMTP-UHFFFAOYSA-N 197.146 1.307 5 30 ADBC Cc1ccc(O)c(N)c1[N+](=O)[O-] 33839076 JUQDHURMAZPYAS-UHFFFAOYSA-N 168.152 1.191 5 30 ADBC O=C1C[C@H](c2cccc([N+](=O)[O-])c2)N1 44256515 NZMXHHGQXRDJPS-MRVPVSSYSA-N 192.174 1.156 5 30 ADBC CC[C@@H](C)C[N+](=O)[O-] 39294771 NAURQXSCQKYEIC-RXMQYKEDSA-N 117.148 1.309 5 30 ADBC O=[N+]([O-])c1cnc2cccnc2c1 39401038 CVLOAVGLAYWJHC-UHFFFAOYSA-N 175.147 1.538 5 30 ADBC O=[N+]([O-])c1cc(O)c2cn[nH]c2c1 14983077 FWVZVYOJGUIMCP-UHFFFAOYSA-N 179.135 1.177 5 30 ADBC CC(=O)c1[nH]c(C)c([N+](=O)[O-])c1C 36420116 LRWIHLXHXXDZJD-UHFFFAOYSA-N 182.179 1.742 5 30 ADBC O=[N+]([O-])c1ccc(OC2CCC2)nc1 39325845 ABNRSCLPSNNUNA-UHFFFAOYSA-N 194.190 1.921 5 30 ADBC O=[N+]([O-])c1cc(F)ccc1CCO 143087831 ORYNFHRBOIYIPE-UHFFFAOYSA-N 185.154 1.269 5 30 ADBC O=[N+]([O-])CCC(F)(F)F 32153527 UDLZGFZDVHDXHB-UHFFFAOYSA-N 143.064 1.216 5 30 ADBC CNc1ccc([N+](=O)[O-])cc1NC 96347604 QBFWFMYZBYUMHG-UHFFFAOYSA-N 181.195 1.678 5 30 ADBC C[C@@H]1Cc2ccc([N+](=O)[O-])cc2N1 85221075 OHJIGLMVDDKFPL-ZCFIWIBFSA-N 178.191 1.951 5 30 ADBC Nc1ccc(F)c(Cl)c1[N+](=O)[O-] 238730468 WKTYWZSQQUWYQF-UHFFFAOYSA-N 190.561 1.970 5 30 ADBC CC(=O)Nc1cccc([N+](=O)[O-])c1O 33845710 XAIIJCIDXHCITA-UHFFFAOYSA-N 196.162 1.259 5 30 ADBC Cc1ncsc1[N+](=O)[O-] 88189814 LYZYIZXNSIVYRM-UHFFFAOYSA-N 144.155 1.360 5 30 ADBC Cc1nc2ccc([N+](=O)[O-])cc2n1O 31672304 UWBNPKAUKQNJCM-UHFFFAOYSA-N 193.162 1.490 5 30 ADBC CNC(=O)c1cc(F)ccc1[N+](=O)[O-] 37669431 XLFJZKCYKPSSNZ-UHFFFAOYSA-N 198.153 1.094 5 30 ADBC CC(C)(C)C[N+](=O)[O-] 2510327 VORSGHRRRHCPDN-UHFFFAOYSA-N 117.148 1.309 5 30 ADBC CC(=O)c1cc([N+](=O)[O-])c(C)o1 36466454 GUWFCFRFVZORHV-UHFFFAOYSA-N 169.136 1.699 5 30 ADBC O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)N1 44256512 NZMXHHGQXRDJPS-QMMMGPOBSA-N 192.174 1.156 5 30 ADBC O=[N+]([O-])c1ccc2snc(O)c2c1 39416792 QZFIGQFIRSBAFE-UHFFFAOYSA-N 196.187 1.910 5 30 ADBC C[N@@+]1([O-])CCC[C@H]1c1ccc[n+]([O-])c1 250844682 GSXMRZNVDIMTTQ-CMPLNLGQSA-N 194.234 1.099 5 30 ADBC NNc1ccc([N+](=O)[O-])c(Cl)c1 96570069 JKJSMRINEPDWGA-UHFFFAOYSA-N 187.586 1.534 5 30 ADBC CCn1c(C)cnc1[N+](=O)[O-] 5115220 NIZHAUDFIOIGPX-UHFFFAOYSA-N 155.157 1.120 5 30 ADBC CC[C@H](C)C[N+](=O)[O-] 39294773 NAURQXSCQKYEIC-YFKPBYRVSA-N 117.148 1.309 5 30 ADBC O=Cc1cc(C=O)cc([N+](=O)[O-])c1 14985583 RXACCCLYSOFTFW-UHFFFAOYSA-N 179.131 1.220 5 30 ADBC in-vitro Cc1c(Cl)cncc1[N+](=O)[O-] 96300610 QEIZEUNCWAJMLN-UHFFFAOYSA-N 172.571 1.952 5 30 ADBC in-vitro CC(=O)Nc1cc([N+](=O)[O-])cs1 39295263 AAKCIHZTKWTFMB-UHFFFAOYSA-N 186.192 1.615 5 30 ADBC C=Cc1ncccc1[N+](=O)[O-] 36466230 ANSJTRRYCNYUJD-UHFFFAOYSA-N 150.137 1.633 5 30 ADBC O=[N+]([O-])c1c[nH]nc1C1CCCC1 54079607 LAIYNHBDFJGIFY-UHFFFAOYSA-N 181.195 1.976 5 30 ADBC CCc1ccc([N+](=O)[O-])cc1C(=O)O 88077368 INGAGVLEDDEDMY-UHFFFAOYSA-N 195.174 1.855 5 30 ADBC Nc1cc([N+](=O)[O-])cc2[nH]ncc12 16677978 PXAQCICIBJWARO-UHFFFAOYSA-N 178.151 1.053 5 30 ADBC in-vitro O=[N+]([O-])c1ccc(O[C@@H]2CO2)cc1 6093329 LCDJFVGAKJGCGB-MRVPVSSYSA-N 181.147 1.330 5 30 ADBC O=[N+]([O-])c1cc(Cl)cc2[nH]nnc12 5425288 HRBBUEDJKCLTQE-UHFFFAOYSA-N 198.569 1.520 5 30 ADBC O=[N+]([O-])CCCCCCF 2040634 OQVYNPDNUMJKRL-UHFFFAOYSA-N 149.165 1.793 5 30 ADBC C[C@H]1Cc2ccc([N+](=O)[O-])cc2N1 85221080 OHJIGLMVDDKFPL-LURJTMIESA-N 178.191 1.951 5 30 ADBC C[C@H]([C@H](O)c1ccccc1F)[N+](=O)[O-] 196077265 ZEOLJLDCYNVQTL-MUWHJKNJSA-N 199.181 1.524 5 30 ADBC CN(C)c1ccc([N+](C)(C)C)cc1 67732095 AOUOBLWOQDZLSF-UHFFFAOYSA-N 179.287 1.949 5 30 ADBC Nc1ccc(Cl)c(F)c1[N+](=O)[O-] 575722569 PLSDLDMRJLUZRU-UHFFFAOYSA-N 190.561 1.970 5 30 ADBC O=c1c([N+](=O)[O-])c[nH]c2ccsc12 34102150 WWRBGVOLARSNJR-UHFFFAOYSA-N 196.187 1.498 5 30 ADBC O=[N+]([O-])[C@@H](F)[C@@H](O)c1ccccc1 39055010 CITFHQIDQZQOMU-JGVFFNPUSA-N 185.154 1.292 5 30 ADBC C[C@H](O)c1cc([N+](=O)[O-])ccc1F 95637125 PCSJHPZLGMEIIY-YFKPBYRVSA-N 185.154 1.787 5 30 ADBC O=Cc1c(O)cccc1[N+](=O)[O-] 85344377 RYWYLFSBHZEAJD-UHFFFAOYSA-N 167.120 1.113 5 30 ADBC COc1ccc([C@H](O)C[N+](=O)[O-])cc1 33506389 KLESIDDCPSMIRB-SECBINFHSA-N 197.190 1.005 5 30 ADBC O=[N+]([O-])c1ccc2c(c1F)CCN2 95884029 IZJPDEDMUHMSKG-UHFFFAOYSA-N 182.154 1.702 5 30 ADBC in-vitro O=[N+]([O-])c1cn[nH]c1C1CCC1 148624663 VJQZQCPFSQEIGU-UHFFFAOYSA-N 167.168 1.585 5 30 ADBC O=C(O)C=CC1=CCC[C@H]([N+](=O)[O-])C1 2265326428 PEYXGOWSKLZBEO-QMMMGPOBSA-N 197.190 1.383 5 30 ADBC CCOC(=O)c1coc([N+](=O)[O-])c1 142814278 MCJIQUBSSHRKKB-UHFFFAOYSA-N 185.135 1.365 5 30 ADBC O=C1O[C@@H]([N+](=O)[O-])Cc2ccccc21 69283 MABHGIDDOAIINX-MRVPVSSYSA-N 193.158 1.002 5 30 ADBC CNc1cccc(NC)c1[N+](=O)[O-] 87807347 MLWNGVWPCQRLEU-UHFFFAOYSA-N 181.195 1.678 5 30 ADBC in-vitro