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PQJJJMRNHATNKG-UHFFFAOYSA-N 167.002 0.944 50 50 ACGA in-vitro IC1COC1 16083106 KBEIFKMKVCDETC-UHFFFAOYSA-N 183.976 0.820 50 50 ACGA in-vitro O=C(O)CCOCCBr 83254082 REBYHCQUFPLTTH-UHFFFAOYSA-N 197.028 0.873 50 50 ACGA in-vitro O=C1OC(=O)c2cccc1c2 111385434 LNYYKKTXWBNIOO-UHFFFAOYSA-N 148.117 0.997 50 50 ACGA CCOC(=O)c1noc(CCl)n1 43220516 AUTFGCQEAOOQAR-UHFFFAOYSA-N 190.586 0.985 50 50 ACGA in-vitro C[C@@]1(O)CCC[C@@H]1NC(=O)CCl 1875375061 PJMGEOMEWLYDEJ-POYBYMJQSA-N 191.658 0.645 50 50 ACGA N#CCC(N)=C(C#N)C#N 17316710 BNHGNFYPZNDLAF-UHFFFAOYSA-N 132.126 0.160 50 50 ACGA in-vitro CCOC(=O)/C(C#N)=C\N(C)C 100133787 RZEPXNTYHXGQOO-SREVYHEPSA-N 168.196 0.519 50 50 ACGA in-vitro CC(=O)NC[C@]1(CCl)CCNC1 2325901599 MTJMWNAQSZUCLJ-QMMMGPOBSA-N 190.674 0.341 50 50 ACGA CCN=C=O 1575577 WUDNUHPRLBTKOJ-UHFFFAOYSA-N 71.079 0.342 50 50 ACGA in-vitro O=C(Cl)c1cc[nH]n1 39292067 ZLIZZDCWMOGEGA-UHFFFAOYSA-N 130.534 0.789 50 50 ACGA C=C(C)C(=O)N(N)CC 165856057 IWSKECINYHEZMS-UHFFFAOYSA-N 128.175 0.285 50 50 ACGA Cn1nccc1C(=O)Cl 2549378 JJMGMMBYVVRVHI-UHFFFAOYSA-N 144.561 0.799 50 50 ACGA in-vitro OB(O)c1cc2ccccc2cc1O 169746686 PREHQRCCCIFBPF-UHFFFAOYSA-N 187.991 0.225 50 50 ACGA in-vitro OB(O)c1ccc(Cl)c(F)c1F 169988664 QADBJOSUOMFYHK-UHFFFAOYSA-N 192.357 0.298 50 50 ACGA CCCN(N)C(=O)C(C)C 757131467 LCPUXITVBSYVGD-UHFFFAOYSA-N 144.218 0.755 50 50 ACGA NC(=O)NNc1ccccc1 1924 AVKHCKXGKPAGEI-UHFFFAOYSA-N 151.169 0.682 50 50 ACGA in-man CC(C)(C)c1ccc(B(O)O)cc1 169743225 MNJYZNVROSZZQC-UHFFFAOYSA-N 178.040 0.664 50 50 ACGA in-vitro Cc1ccc(B(O)O)cc1Cl 169743472 YTJUYWRCAZWVSX-UHFFFAOYSA-N 170.404 0.328 50 50 ACGA in-vitro CO/C=C\C#N 33362792 IPCRTSDORDQHRO-RQOWECAXSA-N 83.090 0.670 50 50 ACGA O=C(O)COCCCBr 143278538 FWCDZXLPIOVWID-UHFFFAOYSA-N 197.028 0.873 50 50 ACGA NNC(=O)Cc1ccc(Cl)cc1 1926515 ZXTSFZRZKFXXRG-UHFFFAOYSA-N 184.626 0.872 50 50 ACGA in-vitro Cc1c(B(O)O)cccc1C1CC1 238500360 OSASQHNXISRQFW-UHFFFAOYSA-N 176.024 0.552 50 50 ACGA CN(N)C(=O)c1ccccc1 1682302 VVCYTTNKSCQICY-UHFFFAOYSA-N 150.181 0.632 50 50 ACGA in-vitro C[C@@H]1CC=C(B(O)O)CC1 169743487 SJZMIZIVYIOMIW-ZCFIWIBFSA-N 139.991 0.745 50 50 ACGA in-vitro OB(O)c1ccc(CC2CC2)cc1 306192840 SLNCAWULSVDPOV-UHFFFAOYSA-N 176.024 0.319 50 50 ACGA CC(=O)CCS(=O)(=O)CCCl 1793932 QAOLAJPFNOYGSN-UHFFFAOYSA-N 198.671 0.619 50 50 ACGA CCOC(=O)[C@H](Cl)C(C)=O 2034449 RDULEYWUGKOCMR-RXMQYKEDSA-N 164.588 0.746 50 50 ACGA in-vitro O=C(CCl)NC(=O)NC1CC1 2628572 XWUSXXUJONYTSB-UHFFFAOYSA-N 176.603 0.213 50 50 ACGA CCO[C@H](C)c1ccc(B(O)O)cc1 169910746 OUASAVPZGSGDFJ-MRVPVSSYSA-N 194.039 0.464 50 50 ACGA COC(=O)OCCl 34364505 MFSHZGFPADYOTO-UHFFFAOYSA-N 124.523 0.966 50 50 ACGA in-vitro OB(O)c1cc(C(F)(F)F)cs1 206066042 BQKLATJIMHKFGK-UHFFFAOYSA-N 195.958 0.447 50 50 ACGA C#CCN1C[C@H](C)[C@@](O)(C#N)C[C@H]1C 230046679 DIEWLHNVSGSVEY-AXFHLTTASA-N 192.262 0.605 50 50 ACGA O=C(Cl)CN1CCCCC1=O 216625376 RSYWVPALKPYZDL-UHFFFAOYSA-N 175.615 0.764 50 50 ACGA N#CC(C(N)=S)=C1CCCN1 2049286355 FFINSFDGDIVCQU-UHFFFAOYSA-N 167.237 0.434 50 50 ACGA O=C(O)C1(C(=O)O)CC(Cl)C1 35569405 CUTCKBJFLZZDDX-UHFFFAOYSA-N 178.571 0.543 50 50 ACGA CCOc1c(C)cc(B(O)O)cc1C 169745532 FMJASQDMWVBTOJ-UHFFFAOYSA-N 194.039 0.382 50 50 ACGA in-vitro N#CC(C#N)=C(C#N)C#N 157886 NLDYACGHTUPAQU-UHFFFAOYSA-N 128.094 0.377 50 50 ACGA in-vitro CC1(C)C=C(B(O)O)C(=O)CC1 169746473 LMARAEULVSDJBH-UHFFFAOYSA-N 168.001 0.314 50 50 ACGA in-vitro ClCc1ncon1 2169235 YSNKGJCEHOJIDK-UHFFFAOYSA-N 118.523 0.808 50 50 ACGA in-vitro NNC(=O)c1cc2cccnc2s1 139933162 GJMBAHPJBWIUID-UHFFFAOYSA-N 193.231 0.900 50 50 ACGA COc1ccccc1OCC(=O)NN 28415 WGQDMRNLIVOSOW-UHFFFAOYSA-N 196.206 0.064 50 50 ACGA in-vitro COc1c(Cl)cccc1B(O)O 169747543 VHQABGUEHFRBRI-UHFFFAOYSA-N 186.403 0.028 50 50 ACGA Cc1cc(C(=O)NN)nn1C(F)F 2538910 UPGOLEBGQSLLRE-UHFFFAOYSA-N 190.153 0.190 50 50 ACGA CCCc1ccc(B(O)O)c(C)c1 218950314 XSCBTTAAGIFIGB-UHFFFAOYSA-N 178.040 0.627 50 50 ACGA Cc1nc(C)c(C(=O)NN)s1 120236 WHGDPVYDXLQXON-UHFFFAOYSA-N 171.225 0.363 50 50 ACGA in-vitro CCCOC(=O)N[N+](=O)[O-] 4507511 GLZQEMOBLDPHOM-UHFFFAOYSA-N 148.118 0.314 50 50 ACGA CC[C@@H](OC(C)C)C(=O)NN 12137877 ZYFMBSLEECOFNE-ZCFIWIBFSA-N 160.217 0.180 50 50 ACGA in-vitro OB(O)c1cncc(-c2ccccc2)c1 169747961 FVWWKNZKPWWOCF-UHFFFAOYSA-N 199.018 0.428 50 50 ACGA CC(C)(C)OC(=O)NN 154656 DKACXUFSLUYRFU-UHFFFAOYSA-N 132.163 0.385 50 50 ACGA biogenic CC(C)N=C=O 1850896 GSLTVFIVJMCNBH-UHFFFAOYSA-N 85.106 0.731 50 50 ACGA in-vitro Cc1cc(F)c(B(O)O)cc1Cl 169806997 ZNHMLMCKIJDZKL-UHFFFAOYSA-N 188.394 0.467 50 50 ACGA C/C=C/C=O 1686876 MLUCVPSAIODCQM-NSCUHMNNSA-N 70.091 0.761 50 50 ACGA biogenic,in-vivo O=P(O)(O)F 8214675 DWYMPOCYEZONEA-UHFFFAOYSA-N 99.985 0.049 50 50 ACGA in-man C[C@H](Br)C(=O)N(C)C 19092357 ZEDHSSVDQTYBRV-BYPYZUCNSA-N 180.045 0.858 50 50 ACGA in-vitro NC(=O)N/N=C1/C=CC=C[C@@H]2C[C@@H]12 102318387 IFLXIHYYFFOGRQ-YWLFFHOCSA-N 177.207 0.773 50 50 ACGA Cc1cccc(C(C)C)c1B(O)O 169917603 PJYHJOUTVMAXLG-UHFFFAOYSA-N 178.040 0.798 50 50 ACGA O=C(CCl)NC1CC1 152791 ZPWIVSGEQGESFF-UHFFFAOYSA-N 133.578 0.504 50 50 ACGA in-vitro O=C1OC(=O)C(F)(F)C1(F)F 95676967 ZLVLNNCBGQYRAB-UHFFFAOYSA-N 172.033 0.340 50 50 ACGA CCC(=O)OC(C)=O 100014766 KLUDQUOLAFVLOL-UHFFFAOYSA-N 116.116 0.486 50 50 ACGA in-vitro OB(O)c1ccc2ccccc2c1 169743269 KPTRDYONBVUWPD-UHFFFAOYSA-N 171.992 0.520 50 50 ACGA in-vivo Cc1ccc(C(=O)NN)c(C)c1 4218987 NGKSZOHPTXLODW-UHFFFAOYSA-N 164.208 0.907 50 50 ACGA in-vitro OB(O)c1ccc(Cl)nc1Cl 169743778 XBBLBQZAVMHEER-UHFFFAOYSA-N 191.810 0.068 50 50 ACGA in-vivo NNC(=O)Cc1ccccc1 80757 FPTCVTJCJMVIDV-UHFFFAOYSA-N 150.181 0.219 50 50 ACGA in-vitro Cc1cc(C)c(Cl)c(B(O)O)c1 169994987 RXDUWKGWESJHII-UHFFFAOYSA-N 184.431 0.637 50 50 ACGA CN1C[C@](C)(CCl)C1=O 950757289 PRUVHEIBYOLAAG-LURJTMIESA-N 147.605 0.704 50 50 ACGA C=C[C@@H](O)CBr 1997857 PDAWHBQDMPNZQI-SCSAIBSYSA-N 151.003 0.928 50 50 ACGA in-vitro CCOC(=O)CCl 1648258 VEUUMBGHMNQHGO-UHFFFAOYSA-N 122.551 0.788 50 50 ACGA in-vitro Cc1cc(C(=O)NN)ccc1[N+](=O)[O-] 4288674 SMRIMKXHORAHJR-UHFFFAOYSA-N 195.178 0.507 50 50 ACGA CCOCC(=O)N(N)c1ccccn1 757127598 MBXHSPNGLKNXOY-UHFFFAOYSA-N 195.222 0.325 50 50 ACGA COc1ccc([C@@H](O)C#N)cc1O 85563739 LBYKSAUDCXUPDJ-QMMMGPOBSA-N 179.175 0.958 50 50 ACGA in-vitro Cc1cc(OC(C)C)cc(B(O)O)c1 169933986 CZCHMHUSIRMAFN-UHFFFAOYSA-N 194.039 0.462 50 50 ACGA in-vitro BrC1CNC1 34579043 GJLIPAZOKHTKBR-UHFFFAOYSA-N 135.992 0.353 50 50 ACGA in-vitro O=C(Cl)C(=O)CBr 113459768 UMNDXFOJQBVTOP-UHFFFAOYSA-N 185.404 0.716 50 50 ACGA C/C=C\C=O 4726476 MLUCVPSAIODCQM-IHWYPQMZSA-N 70.091 0.761 50 50 ACGA endogenous,world CNC(=O)c1nc(CCl)no1 29865987 PYBNYHHOFONAGJ-UHFFFAOYSA-N 175.575 0.168 50 50 ACGA in-vitro CCCOc1ccc(B(O)O)cc1C 169743928 DXQZYSHXBAHHAG-UHFFFAOYSA-N 194.039 0.464 50 50 ACGA in-vitro OB(O)[C@@H]1CCN[C@@H](C(F)(F)F)C1 169988605 PLCKFPMHMPWZFI-RFZPGFLSSA-N 196.965 0.144 50 50 ACGA OB(O)c1cc(Cl)ccc1Cl 169743392 NNTFPBXQPOQRBT-UHFFFAOYSA-N 190.822 0.673 50 50 ACGA C=C[Si](C)(OC(C)=O)OC(C)=O 169811109 IDXCKOANSQIPGX-UHFFFAOYSA-N 188.255 0.910 50 50 ACGA Cc1cccc2cc(B(O)O)sc12 169925471 VVGBIBABFLRFRZ-UHFFFAOYSA-N 192.048 0.890 50 50 ACGA in-vitro OB(O)C1=CCCCC1 169743433 XZWQKJXJNKYMAP-UHFFFAOYSA-N 125.964 0.499 50 50 ACGA in-vitro O=C/C(Br)=C/O 111487302 LBJIORYARIDXKA-IWQZZHSRSA-N 150.959 0.980 50 50 ACGA OB(O)c1cc(Cl)sc1Cl 169744971 UAAPRNJFCCPYBD-UHFFFAOYSA-N 196.851 0.735 50 50 ACGA NC(=O)N/N=C/c1ccc(O)cc1 295073 VDPCABXJOAHHDE-BJMVGYQFSA-N 179.179 0.394 50 50 ACGA NNC(=O)CCc1ccc(O)c(O)c1 2505826 MMNJHAKONQNNGA-UHFFFAOYSA-N 196.206 0.020 50 50 ACGA in-vitro CCOC(=O)CN=C=S 2014870 IYPSSPPKMLXXRN-UHFFFAOYSA-N 145.183 0.652 50 50 ACGA in-vitro N#CC1=CCOCC1 95495550 MICNNRIXWURVND-UHFFFAOYSA-N 109.128 0.857 50 50 ACGA in-vitro COC(=O)CC(=O)CCl 2010466 HFLMYYLFSNEOOT-UHFFFAOYSA-N 150.561 0.357 50 50 ACGA in-vitro CCOC(=O)[C@@H](Cl)C=O 5857395 DWXKSCKBUSAOKS-BYPYZUCNSA-N 150.561 0.356 50 50 ACGA in-vitro COc1ccc(B(O)O)cc1Cl 169743425 VUTJHOWRPUPHIG-UHFFFAOYSA-N 186.403 0.028 50 50 ACGA in-vitro C=C(C)C(=O)N(N)C(C)C 757129719 ZSGLKTYSLWCRJS-UHFFFAOYSA-N 142.202 0.673 50 50 ACGA CO[C@@H]1CS(=O)(=O)C[C@H]1Cl 5210218 KZWROUAVGMYMLS-RFZPGFLSSA-N 184.644 0.037 50 50 ACGA in-vitro OB(O)Cc1ccc(F)c(F)c1 170000882 VHKRQHBIQDLANB-UHFFFAOYSA-N 171.939 0.519 50 50 ACGA C[C@@H](Cl)C(N)=O 1594383 OEZPDHRXGCLGKB-UWTATZPHSA-N 107.540 0.099 50 50 ACGA in-vitro O=C1OC[C@@H](Cl)O1 1620975 OYOKPDLAMOMTEE-REOHCLBHSA-N 122.507 0.718 50 50 ACGA in-vitro Cc1cccc(NCC(=O)NN)c1 1732068 RBYRNDLIFKJKKK-UHFFFAOYSA-N 179.223 0.397 50 50 ACGA OB(O)c1ccc2ccc(O)cc2c1 196944844 MZWUEPMDFICBJA-UHFFFAOYSA-N 187.991 0.225 50 50 ACGA CC(=O)NCCCCl 5378209 HDPXRRJHKUBNHX-UHFFFAOYSA-N 135.594 0.751 50 50 ACGA OB(O)C1=C(Br)CCC1 169748083 GGQMVPOUNAYCRQ-UHFFFAOYSA-N 190.833 0.831 50 50 ACGA OB(O)c1cc2cc(Cl)ccc2[nH]1 169916763 IDVLNSZYFCBHNS-UHFFFAOYSA-N 195.414 0.501 50 50 ACGA in-vitro O=C(O)C(Cl)Cl 3830689 JXTHNDFMNIQAHM-UHFFFAOYSA-N 128.942 0.875 50 50 ACGA world Cc1cccc(N[C@H](C)C(=O)NN)c1 26475902 FZRUQJLRCUMWFB-MRVPVSSYSA-N 193.250 0.785 50 50 ACGA CCSc1cccc(B(O)O)c1 169835280 CZODYJDCHKOBID-UHFFFAOYSA-N 182.053 0.478 50 50 ACGA in-vitro NNC(=O)C1CCCCC1 122776 HUYREUUJFLHEDE-UHFFFAOYSA-N 142.202 0.557 50 50 ACGA in-vitro C=C(C)C=O 1586526 STNJBCKSHOAVAJ-UHFFFAOYSA-N 70.091 0.761 50 50 ACGA in-vitro COCC(=O)N(N)C(C)(C)C 757127885 NNBZBNLYWMRIAZ-UHFFFAOYSA-N 160.217 0.134 50 50 ACGA CCC/C=C\B(O)O 195751561 SYKWJOZHNDPWIM-PLNGDYQASA-N 113.953 0.355 50 50 ACGA O=C1CCC(=O)N1CCCl 1688946 QJZNIHHRDQKAFU-UHFFFAOYSA-N 161.588 0.374 50 50 ACGA O=c1[nH]ccn1CCCCl 19090126 DYAGCDLRPNHLFN-UHFFFAOYSA-N 160.604 0.805 50 50 ACGA OC[C@@H]1C[C@@H]1Br 196163850 SOUNJUAOSVUXMT-IMJSIDKUSA-N 151.003 0.762 50 50 ACGA CO[C@@H]1CCN(C(=O)CCl)C1 79391995 QXNSGDXTYRKLDM-ZCFIWIBFSA-N 177.631 0.473 50 50 ACGA CSS(C)(=O)=O 4268917 XYONNSVDNIRXKZ-UHFFFAOYSA-N 126.202 0.309 50 50 ACGA endogenous,in-man O=C(O)[C@@H](Br)CF 1765286 FBPUCVAAEPPEMG-REOHCLBHSA-N 170.965 0.804 50 50 ACGA in-vitro O=C=NC1CC1 11802355 DBBRJAWSDTYYBM-UHFFFAOYSA-N 83.090 0.485 50 50 ACGA in-vitro OB(O)c1cccc(CCl)c1 169807458 JUDDUYGFBWZTTB-UHFFFAOYSA-N 170.404 0.105 50 50 ACGA in-vitro COCCOCCl 2242622 BIAAQBNMRITRDV-UHFFFAOYSA-N 124.567 0.846 50 50 ACGA CNC(=O)[C@H](C)Br 34386727 ALSQAGFRBPHNIQ-VKHMYHEASA-N 166.018 0.516 50 50 ACGA CCCCN(N)C(=O)N(C)C 757126480 GSLDMFCNJVZTBB-UHFFFAOYSA-N 159.233 0.644 50 50 ACGA O=C(CCl)NC1=NCCS1 4736560 ASQFHUIHYKAOIP-UHFFFAOYSA-N 178.644 0.444 50 50 ACGA in-vitro CCOc1ccc(C)c(F)c1B(O)O 169955183 JTSLXSWVFHCAPO-UHFFFAOYSA-N 198.002 0.213 50 50 ACGA C[C@@]12CC[C@@H](O1)[C@H]1C(=O)OC(=O)[C@H]12 254907155 YRQMPRLOYHEHBF-SPPFEBNGSA-N 182.175 0.254 50 50 ACGA CN1CC(CCl)(CCl)C1=O 1535541725 HRFDIZZYNBLUKX-UHFFFAOYSA-N 182.050 0.922 50 50 ACGA C#CCOC(=O)Cl 2562433 RAMTXCRMKBFPRG-UHFFFAOYSA-N 118.519 0.995 50 50 ACGA in-vitro NNC(=O)Cc1ccc(F)cc1 3888145 PFBNINAURUGQRR-UHFFFAOYSA-N 168.171 0.358 50 50 ACGA in-vitro C[C@@H]1C=CCC2=C1C(=O)OC2=O 101053837 STTBBKLPESICPR-RXMQYKEDSA-N 164.160 0.962 50 50 ACGA COC(=O)N(N)c1ccccn1 215646970 GGUVABGRKYXXSW-UHFFFAOYSA-N 167.168 0.528 50 50 ACGA C/C(C=O)=C/N(C)C 160207 JGAMOQYFDMQPRJ-XQRVVYSFSA-N 113.160 0.651 50 50 ACGA CC(C)NNC(=O)C(C)C 2034061 PTGXSXYMEHNCCN-UHFFFAOYSA-N 144.218 0.672 50 50 ACGA CC1(C)C[C@@H]1C(=O)NN 42383779 TYIORGRYOXWJCU-SCSAIBSYSA-N 128.175 0.022 50 50 ACGA in-vitro COC(=O)NNC(=N)CCl 22062217 JAIGTTPBXVVFPN-UHFFFAOYSA-N 165.580 0.063 50 50 ACGA in-vitro C[C@H]1CC=C(B(O)O)CC1 169743488 SJZMIZIVYIOMIW-LURJTMIESA-N 139.991 0.745 50 50 ACGA in-vitro C=CCCB(O)O 169904235 WHTULVNQGYJCSG-UHFFFAOYSA-N 99.926 0.035 50 50 ACGA in-vitro CN(C)/C=C/C#N 1716566 ZKKBIZXAEDFPNL-HWKANZROSA-N 96.133 0.585 50 50 ACGA in-vitro COc1ccc(CCC(=O)NN)cc1 2565688 BFZQOADVWOLSQE-UHFFFAOYSA-N 194.234 0.618 50 50 ACGA in-vitro O=C(O)OC(=O)C[C@H]1CCC(=O)O1 137847782 ZLAAIVBHMNPPEF-SCSAIBSYSA-N 188.135 0.303 50 50 ACGA O=C1OC[C@H](CCl)O1 2036661 LFEAJBLOEPTINE-VKHMYHEASA-N 136.534 0.761 50 50 ACGA C=C1CC(=O)OC1=O 8100879 OFNISBHGPNMTMS-UHFFFAOYSA-N 112.084 0.016 50 50 ACGA 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OB(O)/C=C/Cc1ccccc1 169877170 GMGWFDHLFMBIDS-XBXARRHUSA-N 161.997 0.797 50 50 ACGA in-vivo OB(O)Cc1ccc(F)cc1F 169965545 LPRYCDCYMXRYJC-UHFFFAOYSA-N 171.939 0.519 50 50 ACGA C=CC#N 901212 NLHHRLWOUZZQLW-UHFFFAOYSA-N 53.064 0.696 50 50 ACGA in-vitro C=CCOC[C@@H](O)CCl 1867151 DLVRPVNJFWEIFV-LURJTMIESA-N 150.605 0.789 50 50 ACGA CS(C)(=O)=NC(=O)CCl 306821054 NWKATPHBIKVOFF-UHFFFAOYSA-N 169.633 0.479 50 50 ACGA C[C@]1(O)CCC[C@@H]1NC(=O)CCl 1875375063 PJMGEOMEWLYDEJ-XPUUQOCRSA-N 191.658 0.645 50 50 ACGA Cn1ncc2c(=O)[nH]c(CCl)nc21 14135119 XUMDISOFANKXFK-UHFFFAOYSA-N 198.613 0.395 50 50 ACGA OB(O)c1ccc(F)c2ncccc12 170001044 RFDGGZVWTDECTC-UHFFFAOYSA-N 190.970 0.054 50 50 ACGA O=C(O)CC[C@@H]1CCC(=O)OC1=O 100508025 RKHVYUINAFDGOB-RXMQYKEDSA-N 186.163 0.331 50 50 ACGA NNC(=O)c1ccc2c(c1)OCO2 150345 RAXBGBHBUFGWPG-UHFFFAOYSA-N 180.163 0.019 50 50 ACGA in-vitro ClC[C@H]1CO1 2016052 BRLQWZUYTZBJKN-VKHMYHEASA-N 92.525 0.624 50 50 ACGA endogenous,fda CS(=O)(=O)CCBr 34134087 NIEGKADUBXVLHF-UHFFFAOYSA-N 187.058 0.426 50 50 ACGA OB(O)c1ccc(C2CC2)cc1 169794606 YNLGFXOBRXSMJZ-UHFFFAOYSA-N 161.997 0.244 50 50 ACGA CC(C)CC(=O)NN 3165551 OQNKZWDYYSHLPO-UHFFFAOYSA-N 116.164 0.022 50 50 ACGA in-vitro CCNC(=O)[C@@H](C)Cl 5852666 RESXWKTXWDVKIF-SCSAIBSYSA-N 135.594 0.750 50 50 ACGA in-vitro O=C1CCC(=O)N1CCCCl 22211745 SNZXFHKNBQFGQU-UHFFFAOYSA-N 175.615 0.764 50 50 ACGA in-vitro COC(=O)[C@H](Cl)C(=O)Cl 136266612 VGLAESBBSQCKBP-UWTATZPHSA-N 170.979 0.532 50 50 ACGA CCN(N)C(=O)C(C)C 757129347 VSXOMVNZGGIVNG-UHFFFAOYSA-N 130.191 0.365 50 50 ACGA NC(=O)[C@@H](F)Br 8698277 VJXYSIXJDWGJNR-PVQJCKRUSA-N 155.954 0.162 50 50 ACGA in-vitro COC(=O)CBr 1641052 YDCHPLOFQATIDS-UHFFFAOYSA-N 152.975 0.554 50 50 ACGA O=C(OC(=O)C(F)F)C(F)F 95682149 IYXUFOCLMOXQSL-UHFFFAOYSA-N 174.049 0.586 50 50 ACGA in-vitro CC(C)NC(=O)NCCCl 5498216 ZKOVNWYVGDBEKU-UHFFFAOYSA-N 164.636 0.933 50 50 ACGA NNC(=O)c1cccc(Cl)c1 80753 PHRDZSRVSVNQRN-UHFFFAOYSA-N 170.599 0.944 50 50 ACGA in-vitro CC(=O)OCCBr 1566591 RGHQKFQZGLKBCF-UHFFFAOYSA-N 167.002 0.944 50 50 ACGA CSC(SC)=C(C#N)C(N)=O 3126323 ASRISBXJSAYCHP-UHFFFAOYSA-N 188.277 0.933 50 50 ACGA CN(C)S(=O)(=O)CCCCl 20179949 NCZGIOUJVDTSNN-UHFFFAOYSA-N 185.676 0.507 50 50 ACGA in-vitro Cc1c(B(O)O)ccc2cccnc12 170001060 OXHUJUIHZKFIGR-UHFFFAOYSA-N 187.007 0.223 50 50 ACGA CCN(N)C(=O)OCC(F)(F)F 757129199 TZRNYRZESOICDA-UHFFFAOYSA-N 186.133 0.881 50 50 ACGA NNC(=O)[C@@H]1COc2ccccc2C1 32918981 CRZHHAIRMIQRBN-QMMMGPOBSA-N 192.218 0.228 50 50 ACGA OB(O)c1cnc2c(F)cccc2c1 170000020 HWUTVRYZDFZBJZ-UHFFFAOYSA-N 190.970 0.054 50 50 ACGA in-vitro CN(C)C(=O)CCl 1591767 XBPPLECAZBTMMK-UHFFFAOYSA-N 121.567 0.313 50 50 ACGA in-vitro CC(=O)NC[C@@H](CCl)OC(C)=O 4784654 GOJJPJCUSDMTAT-SSDOTTSWSA-N 193.630 0.293 50 50 ACGA in-vitro CNC(=O)[C@H](F)Cl 8698289 MGPTVVOTWUGZJQ-REOHCLBHSA-N 125.530 0.267 50 50 ACGA in-vitro Cc1cccc(N[C@@H](C)C(=O)NN)c1 26475911 FZRUQJLRCUMWFB-QMMMGPOBSA-N 193.250 0.785 50 50 ACGA C[C@H](CN1CCCCC1)C(=O)NN 266166 HGHRYICUFKUZKH-MRVPVSSYSA-N 185.271 0.098 50 50 ACGA in-vitro CC[C@@H](C)B(O)O 169747498 MACOIFNUPFKZEI-SCSAIBSYSA-N 101.942 0.259 50 50 ACGA O=C(O)c1ccccc1C(=O)OOO 169811481 QVVSQLONZBANPD-UHFFFAOYSA-N 198.130 0.946 50 50 ACGA OB(O)C1=CCC(F)(F)CC1 204410291 UBVNILVKTTUUJH-UHFFFAOYSA-N 161.944 0.744 50 50 ACGA NC(=O)N/N=C1/C=CC=C[C@H]2C[C@H]12 43761546 IFLXIHYYFFOGRQ-IRGKXCOYSA-N 177.207 0.773 50 50 ACGA O=C1OC(=O)[C@H]2CC[C@H]1C2 100045807 HVHURIINGLSKBG-WHFBIAKZSA-N 140.138 0.486 50 50 ACGA in-vitro OB(O)c1ccc(-c2ccncc2)cc1 169747644 QLVTYWFPUODTBB-UHFFFAOYSA-N 199.018 0.428 50 50 ACGA in-vitro CC(=C(C#N)C#N)[C@H](C)O 396002 JQIPSELZSYYECE-LURJTMIESA-N 136.154 0.731 50 50 ACGA Nc1ncc(CCCl)c(=O)[nH]1 40451286 GEHBPEUNXXHIFD-UHFFFAOYSA-N 173.603 0.133 50 50 ACGA NNC(=O)c1cc(F)cc([N+](=O)[O-])c1 96308463 BTNUPFUZCUCDRO-UHFFFAOYSA-N 199.141 0.337 50 50 ACGA COC(=O)[C@H](C)Cl 1696573 JLEJCNOTNLZCHQ-VKHMYHEASA-N 122.551 0.787 50 50 ACGA in-vitro CC(C)=NNC(=O)C(=O)NC(C)(C)C 5016267 LDWSORPOXWTOHK-UHFFFAOYSA-N 199.254 0.413 50 50 ACGA C/C(NCC(C)(C)C)=C(/C#N)C(N)=O 13468293 RRTQOJJHQJVKMO-BQYQJAHWSA-N 195.266 0.905 50 50 ACGA OB(O)c1cccc2c1CCCC2 169844739 JJWLFSUJMPKCKA-UHFFFAOYSA-N 176.024 0.245 50 50 ACGA in-vitro CCN(N)C(=O)C1CCC1 757127552 LKXRVSUTIMQUEX-UHFFFAOYSA-N 142.202 0.509 50 50 ACGA COc1cc([C@@H](O)C#N)ccc1O 85545918 VHGYYIXSLHYRBH-QMMMGPOBSA-N 179.175 0.958 50 50 ACGA O=C1C[C@@H]([C@@H]2CCCO2)C(=O)O1 100477876 CINCBZDVMGZOQJ-WDSKDSINSA-N 170.164 0.255 50 50 ACGA biogenic C[C@@H](O)[C@H](Cl)C(=O)O 62715392 QTQIANGQRHQQJU-GBXIJSLDSA-N 138.550 0.059 50 50 ACGA C[C@H]1C[C@@H](C)C(=O)OC1=O 100128372 SIFQWEJOHACJOL-SYDPRGILSA-N 142.154 0.732 50 50 ACGA C[C@H](O)C(=O)N/N=C/c1cccs1 431936 PVWYYRDTLSMAGR-HOITVRGQSA-N 198.247 0.579 50 50 ACGA [C-]#[N+][C@@H](C)C(=O)OCC 100000342 AQUISJFHBNLTCK-YFKPBYRVSA-N 127.143 0.857 50 50 ACGA in-vitro OB(O)c1ccc(-c2cccnc2)cc1 169747645 HYZNIURBDZXTGX-UHFFFAOYSA-N 199.018 0.428 50 50 ACGA in-vitro C=C(C)C(=O)N(N)c1ccccn1 757128090 PSZOGKUEKJTXNN-UHFFFAOYSA-N 177.207 0.864 50 50 ACGA CC(C)C(=O)N(N)CC(F)(F)F 757129741 ZWSDHPWLKXAQIA-UHFFFAOYSA-N 184.161 0.907 50 50 ACGA C[C@H](Cl)C(=O)N1CCO[C@H]2C[C@@H]21 1875376029 MGLJZGAWPYRYBA-ACZMJKKPSA-N 189.642 0.613 50 50 ACGA CCOC(=O)/C=C(\C#N)NC 71774172 RQYVQNZRXNVEIF-GQCTYLIASA-N 154.169 0.176 50 50 ACGA N[C@H]1CCCN(C(=O)CCl)C1 253567521 KDRHIOUFLRBBFZ-LURJTMIESA-N 176.647 0.175 50 50 ACGA CSC(N)=C(C#N)C#N 13080823 GSJVFTMCJWHRNL-UHFFFAOYSA-N 139.183 0.567 50 50 ACGA O=C(CCl)c1cncnc1 144885454 NSFJLBDLOUORRT-UHFFFAOYSA-N 156.572 0.898 50 50 ACGA CC(=O)OCCCl 4887626 VIRWKAJWTKAIMA-UHFFFAOYSA-N 122.551 0.788 50 50 ACGA COC(=O)CC[C@@H]1C[C@H](Cl)NO1 252491011 LIDQNNAKNZIQBC-PHDIDXHHSA-N 193.630 0.798 50 50 ACGA NNC(=O)c1ccc([N+](=O)[O-])cc1 504383 FKZXYJYTUSGIQE-UHFFFAOYSA-N 181.151 0.198 50 50 ACGA in-vitro NNC(=O)c1cc(-c2ccco2)on1 2554088 YAVAKNCPWSSNOV-UHFFFAOYSA-N 193.162 0.538 50 50 ACGA in-vitro CC[C@H](C)CB(O)O 203446938 NGHJHHWXNRSHSI-YFKPBYRVSA-N 115.969 0.505 50 50 ACGA O=P(=O)OO 245240223 NSBCTUBOCWNDKK-UHFFFAOYSA-N 95.978 0.564 50 50 ACGA in-vitro ClCCCN1CCNCC1 19798344 VBWGBXZUJJUARM-UHFFFAOYSA-N 162.664 0.521 50 50 ACGA CO[Si](CCl)(OC)OC 169744926 FPOSCXQHGOVVPD-UHFFFAOYSA-N 170.668 0.643 50 50 ACGA N#CC(N)=C(C#N)N=Cc1ccco1 2040751258 TUDIERUENMEXLK-UHFFFAOYSA-N 186.174 0.916 50 50 ACGA COc1cc(OC)cc(C(=O)NN)c1 394889 DOWVACHORBOSEF-UHFFFAOYSA-N 196.206 0.307 50 50 ACGA in-vitro COC(=O)NC(=O)CCl 2510185 SYWSERLZKPGKDI-UHFFFAOYSA-N 151.549 0.108 50 50 ACGA in-vitro OCCBr 4978447 LDLCZOVUSADOIV-UHFFFAOYSA-N 124.965 0.374 50 50 ACGA in-vitro Cc1ccc(C(=O)NN)cc1[N+](=O)[O-] 2513500 HQYFNNWYBXZHEZ-UHFFFAOYSA-N 195.178 0.507 50 50 ACGA in-vitro O=C(CCl)Nc1ccc[nH]c1=O 34184125 OBGNCSFDHPHPQB-UHFFFAOYSA-N 186.598 0.552 50 50 ACGA in-vitro C[C@H](CN)CCl 44249079 IHYMTVGUOZKLFK-BYPYZUCNSA-N 107.584 0.820 50 50 ACGA in-vitro OB(O)C1=C[C@@H]2CC[C@H]1C2 169745717 USTOMIGLBPEIBM-RITPCOANSA-N 137.975 0.355 50 50 ACGA C=C(B(O)O)C(F)(F)F 169849105 POVDLRLOSUDCMI-UHFFFAOYSA-N 139.869 0.117 50 50 ACGA CCN(N)C(=O)OC(C)C 757126055 DEUCUDXGJZXTHG-UHFFFAOYSA-N 146.190 0.727 50 50 ACGA CC(C)CC(=O)N(N)C1CC1 757133012 ZVKHLGWALSBNSH-UHFFFAOYSA-N 156.229 0.897 50 50 ACGA C[C@@H](Br)C(N)=O 1594670 AUHYZQCEIVEMFH-UWTATZPHSA-N 151.991 0.255 50 50 ACGA O=CNNc1ccccc1 1711848 QIWOKEQEGOOGGH-UHFFFAOYSA-N 136.154 0.760 50 50 ACGA in-vitro CC(=O)O[C@H](C)C(=O)Cl 4976604 ALHZEIINTQJLOT-GSVOUGTGSA-N 150.561 0.703 50 50 ACGA in-vitro C[Si](C)(C)ON 169743308 AEKHNNJSMVVESS-UHFFFAOYSA-N 105.213 0.712 50 50 ACGA CCCSc1cccc(B(O)O)c1 169839052 TYEQDWKWEXCQBX-UHFFFAOYSA-N 196.080 0.869 50 50 ACGA in-vitro CC(C)(NC(=O)CCl)C(=O)O 8730551 PSFZNYTZFAOCFH-UHFFFAOYSA-N 179.603 0.205 50 50 ACGA in-vitro O=C=NS(=O)(=O)c1ccccc1 1840984 UJYAZVSPFMJCLW-UHFFFAOYSA-N 183.188 0.711 50 50 ACGA in-vitro NC(=O)OCCCl 1865419 LIJLYNWYKULUHA-UHFFFAOYSA-N 123.539 0.321 50 50 ACGA BrC[C@H]1CNCCO1 165781514 ZPSJVTJYARPZFC-YFKPBYRVSA-N 180.045 0.370 50 50 ACGA NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1 897369 IAIWVQXQOWNYOU-FPYGCLRLSA-N 198.138 0.190 50 50 ACGA world NCCSSCCC(=O)O 2387123 HMMFDEBVQNRZLJ-UHFFFAOYSA-N 181.282 0.801 50 50 ACGA in-vitro BrC[C@@H]1CO1 4353049 GKIPXFAANLTWBM-GSVOUGTGSA-N 136.976 0.780 50 50 ACGA in-vitro OB(O)C1=C[C@@H]2CC[C@@H]1C2 169745715 USTOMIGLBPEIBM-PHDIDXHHSA-N 137.975 0.355 50 50 ACGA CC(C)c1ccc(B(O)O)cc1 169746997 IAEUFBDMVKQCLU-UHFFFAOYSA-N 164.013 0.490 50 50 ACGA O=C(O)C1(N=C=S)CC1 757188026 KUTVENVBKIJIOV-UHFFFAOYSA-N 143.167 0.706 50 50 ACGA OB(O)c1ccc(-c2ccco2)s1 196954775 CUPOSRCHDCHNKT-UHFFFAOYSA-N 194.020 0.688 50 50 ACGA Cc1ccc2scc(B(O)O)c2c1 202557936 XRJYLPXFPDJYDQ-UHFFFAOYSA-N 192.048 0.890 50 50 ACGA CC(=O)NNC(=O)c1ccccc1 143095 HKKJKNLQLTWYES-UHFFFAOYSA-N 178.191 0.468 50 50 ACGA NNC(=O)CCc1ccc(O)cc1 410035 JMNHUOPRGLTNJI-UHFFFAOYSA-N 180.207 0.315 50 50 ACGA in-vitro OC[C@@H](Cl)CCl 2034406 ZXCYIJGIGSDJQQ-VKHMYHEASA-N 128.986 0.825 50 50 ACGA in-vitro CCOC(=O)C[C@H](O)CCl 2558232 ZAJNMXDBJKCCAT-YFKPBYRVSA-N 166.604 0.539 50 50 ACGA in-vitro N#CC[C@@H](O)CCl 2564699 LHBPNZDUNCZWFL-SCSAIBSYSA-N 119.551 0.500 50 50 ACGA in-vitro CC(C)COc1ccccc1B(O)O 169856061 WROPRHAJDSQMRO-UHFFFAOYSA-N 194.039 0.401 50 50 ACGA in-vitro NC(=O)CCBr 1664836 DBIVLAVBOICUQX-UHFFFAOYSA-N 151.991 0.257 50 50 ACGA in-vitro CC[C@@H](NC(=O)CCl)C(=O)O 1742278 CLYGVTIFEIIGIX-SCSAIBSYSA-N 179.603 0.205 50 50 ACGA in-vitro OC[C@@H]1C[C@H](Cl)C[C@@H](Cl)[C@H]1O 252427923 KHXAEMABSWIAKK-YTLHQDLWSA-N 199.077 0.964 50 50 ACGA N[C@H]1C[C@H](Br)C1 1857788275 KWUZBHHZXACQBA-JPYJGEKTSA-N 150.019 0.871 50 50 ACGA CC[C@@H](Br)C(N)=O 1679991 AKSLRYGHJVUELA-GSVOUGTGSA-N 166.018 0.645 50 50 ACGA in-vitro C/C(C=O)=C\N 2380560 OEZAAXHZEMTBOV-DUXPYHPUSA-N 85.106 0.048 50 50 ACGA in-vitro OB(O)c1ccsc1Cl 169747629 JWVLMZZYJOJCTI-UHFFFAOYSA-N 162.406 0.081 50 50 ACGA in-vitro COC(=O)[C@@H](N)CCBr 22013466 HKPGHQPOZUTBJI-BYPYZUCNSA-N 196.044 0.272 50 50 ACGA C=C(C)C(=O)N=C=O 86039712 JEHFRMABGJJCPF-UHFFFAOYSA-N 111.100 0.425 50 50 ACGA O=P(O)(O)O[P@@](=O)(O)Cl 245189218 BJSIXQVAVRYWGM-UHFFFAOYSA-N 196.419 0.435 50 50 ACGA NC(=O)N/N=C/Cc1ccccc1 3945293 KFETYMRCJIPWGW-YRNVUSSQSA-N 177.207 0.883 50 50 ACGA CCNC(=O)[C@@H](C)Br 5573751 DOQUSEJOWOMUEH-SCSAIBSYSA-N 180.045 0.906 50 50 ACGA OCC1(CBr)COC1 15021455 SESXZSLSTRITGO-UHFFFAOYSA-N 181.029 0.390 50 50 ACGA in-vitro OB(O)c1cccc(Cl)c1F 169745473 SUYRGLRWMPEARP-UHFFFAOYSA-N 174.367 0.159 50 50 ACGA CC(C)OC(=O)N(N)C1CC1 757131803 LJQHPKRREGSWPI-UHFFFAOYSA-N 158.201 0.870 50 50 ACGA COc1ccc(B(O)O)c(Cl)c1 169744877 LOCGPWGCRVKCFN-UHFFFAOYSA-N 186.403 0.028 50 50 ACGA in-vitro CC(C)c1ccc(O)c(B(O)O)c1 205108588 WCFJCIMGOCZBLG-UHFFFAOYSA-N 180.012 0.195 50 50 ACGA Nn1c(CCl)nnc1CCl 2518798 YWYBYSYWJPGLGZ-UHFFFAOYSA-N 181.026 0.470 50 50 ACGA CCC(=O)N(N)CC(F)(F)F 219574903 QFIAWUPXZBUJRK-UHFFFAOYSA-N 170.134 0.661 50 50 ACGA COC(=O)[C@@H](C)N=C=S 4218826 LFRBLTIOKKCLSD-SCSAIBSYSA-N 145.183 0.651 50 50 ACGA in-vitro OB(O)c1cccnc1-c1ccccc1 169873932 BHMAGGNQKVLKSV-UHFFFAOYSA-N 199.018 0.428 50 50 ACGA in-vitro O=S1(=O)C=C[C@@H](Br)C1 3865715 OFHNLUNDNLABJQ-SCSAIBSYSA-N 197.053 0.692 50 50 ACGA in-vitro C[C@@]12CC[C@@H](O1)[C@@H]1C(=O)OC(=O)[C@@]12C 169619191 HNZNBJLSILNYST-FNIZFGCXSA-N 196.202 0.644 50 50 ACGA C[N+](C)(C)C[C@@H](O)CCl 2027187 XIUCEANTZSXBQQ-LURJTMIESA-N 152.645 0.292 50 50 ACGA in-vitro CC[C@](C)(O)C(=O)Cl 148496695 YNUHJDPBFALNNW-YFKPBYRVSA-N 136.578 0.913 50 50 ACGA O=C1OC(=O)c2cnccc21 8100888 KFKMGUPDWTWQFM-UHFFFAOYSA-N 149.105 0.392 50 50 ACGA in-vitro CCCSc1ccc(B(O)O)cn1 169934190 OLKGUNOWBUOIHM-UHFFFAOYSA-N 197.068 0.264 50 50 ACGA in-vitro NNC(=O)Cc1cccs1 262467 LELQUIOICURSJI-UHFFFAOYSA-N 156.210 0.281 50 50 ACGA in-vitro O=C(O)C[C@@H](Cl)C(=O)O 2018558 QEGKXSHUKXMDRW-UWTATZPHSA-N 152.533 0.153 50 50 ACGA in-vitro CCC(=O)N(N)C(C)C 150297967 WZRGTHZZGSOVQF-UHFFFAOYSA-N 130.191 0.507 50 50 ACGA COc1cnc(C(=O)Cl)cn1 238392107 SGPJYKGDQKFDRD-UHFFFAOYSA-N 172.571 0.864 50 50 ACGA Cc1cccc(CC(=O)NN)c1 32919579 XAMFYTPAVYBBBX-UHFFFAOYSA-N 164.208 0.527 50 50 ACGA in-vitro OB(O)c1ccc(F)c2ccccc12 169745509 IDCGAEJGZLYEAZ-UHFFFAOYSA-N 189.982 0.659 50 50 ACGA in-vitro C[S@](=O)CCCN=C=S 4642679 LELAOEBVZLPXAZ-SECBINFHSA-N 163.267 0.858 50 50 ACGA endogenous,in-man C[C@@H](O)[C@@H](Cl)C(=O)O 62715396 QTQIANGQRHQQJU-PWNYCUMCSA-N 138.550 0.059 50 50 ACGA CC(C)CC(=O)N(N)c1ncccn1 757128073 PLMPWEHWQXKHCQ-UHFFFAOYSA-N 194.238 0.729 50 50 ACGA C[C@@H](Oc1ccccc1)C(=O)NN 117569 GSFLSJRVNIXWKZ-SSDOTTSWSA-N 180.207 0.444 50 50 ACGA in-vitro O=C(O)/C=C/CCl 5178352 TVOMCUWVZVBDBG-OWOJBTEDSA-N 120.535 0.866 50 50 ACGA in-vitro CC[C@](C)(O)C#N 62238026 VMEHOTODTPXCKT-YFKPBYRVSA-N 99.133 0.671 50 50 ACGA in-vitro C#CCCC[C@@H](O)/C=C/C=O 64857842 RXECVCDYORIBBT-VPIOIWJLSA-N 152.193 0.906 50 50 ACGA in-vitro Cc1ccc(B(O)O)c2ccccc12 169743529 JHVQEUGNYSVSDH-UHFFFAOYSA-N 186.019 0.828 50 50 ACGA in-vitro O=C(CCl)N1CCOCC1 154451 YMQRPXBBBOXHNZ-UHFFFAOYSA-N 163.604 0.084 50 50 ACGA biogenic,in-vitro OB(O)c1cccc(C(F)F)c1 169747409 MYJVGNXKXAYCTH-UHFFFAOYSA-N 171.939 0.304 50 50 ACGA in-vitro CNC(=O)[C@@H](F)Cl 2525278 MGPTVVOTWUGZJQ-UWTATZPHSA-N 125.530 0.267 50 50 ACGA in-vitro ClC[N+]12CCN(CC1)CC2 34513819 XXCCIDBYUOUQSL-UHFFFAOYSA-N 161.656 0.329 50 50 ACGA CC(=O)NNc1cc(C)ccn1 307048451 CCQKYNQNTLSSFQ-UHFFFAOYSA-N 165.196 0.853 50 50 ACGA O[C@H](CCl)C[n+]1ccccc1 3122292 SZTUFZDUCVDORP-MRVPVSSYSA-N 172.635 0.574 50 50 ACGA CC(C)C[C@@H](O)C#N 85882424 HAQDYBJHNGGTLI-ZCFIWIBFSA-N 113.160 0.917 50 50 ACGA C[C@@H]1C=CC[C@H]2C(=O)OC(=O)[C@@H]12 137782428 XPEKVUUBSDFMDR-QYNIQEEDSA-N 166.176 0.898 50 50 ACGA CC(=O)N(N)C(C)(C)C 146804246 BHIWNCFSOFNUBG-UHFFFAOYSA-N 130.191 0.507 50 50 ACGA CC(C)Oc1ccc(B(O)O)c(F)c1 169745914 UFYDUWGUTFJYHC-UHFFFAOYSA-N 198.002 0.293 50 50 ACGA CCc1c(C)cc(C)cc1B(O)O 169902002 MYSSTSAFZVXTAL-UHFFFAOYSA-N 178.040 0.546 50 50 ACGA OB(O)c1cc(F)c(F)c2ccoc12 196690792 UVZZUAIELVHMBY-UHFFFAOYSA-N 197.933 0.391 50 50 ACGA CNC(=O)[C@@H](C)Cl 4218322 NKUQJMNRULPRAM-GSVOUGTGSA-N 121.567 0.360 50 50 ACGA in-vitro Cc1ccc(B(O)O)c2cccnc12 169745333 IFARJKOFXMGAPR-UHFFFAOYSA-N 187.007 0.223 50 50 ACGA in-vitro COc1ccc(/C=N/NC(N)=O)cc1 1700252 OGMVRNVTFDFHHE-IZZDOVSWSA-N 193.206 0.697 50 50 ACGA biogenic,in-vitro O=S1(=O)C=C[C@@H](Cl)C1 3865974 MSWJZKFRTYHAJD-SCSAIBSYSA-N 152.602 0.536 50 50 ACGA in-vitro CCNC(=O)CCl 1591766 JUBORNFANZZVJL-UHFFFAOYSA-N 121.567 0.361 50 50 ACGA in-vitro OB(O)Cc1ccccc1 169806839 HBWDWGMBZIFBQE-UHFFFAOYSA-N 135.959 0.241 50 50 ACGA Cc1cc(Cl)cc(C)c1B(O)O 169748014 FVASMUNXBUYNIX-UHFFFAOYSA-N 184.431 0.637 50 50 ACGA CCCN(N)C(=O)N1CCOCC1 757132459 SOIFKGXQHJWBPZ-UHFFFAOYSA-N 187.243 0.024 50 50 ACGA CC(=O)[C@@H](Cl)C(=O)N(C)C 2584411 QJACRCAPQIYMIH-RXMQYKEDSA-N 163.604 0.271 50 50 ACGA O=C/C(Cl)=C(\Cl)C(=O)O 12359029 LUMLZKVIXLWTCI-NSCUHMNNSA-N 168.963 0.959 50 50 ACGA in-vitro COC(=O)CCl 1641046 QABLOFMHHSOFRJ-UHFFFAOYSA-N 108.524 0.398 50 50 ACGA CC[C@H](C)c1ccccc1B(O)O 195810218 MPGPVHMCNDIRLK-QMMMGPOBSA-N 178.040 0.880 50 50 ACGA NCCCNCCBr 1704447 PGVLVMINWPCNCD-UHFFFAOYSA-N 181.077 0.320 50 50 ACGA in-vitro CCCOc1cc(F)ccc1B(O)O 169747374 RUOLRTURPYSKEY-UHFFFAOYSA-N 198.002 0.294 50 50 ACGA in-vitro CC(C)c1ccc(F)c(B(O)O)c1 169934476 YXCUUQOHGRSVQC-UHFFFAOYSA-N 182.003 0.629 50 50 ACGA OB(O)c1c(F)ccc(F)c1Cl 238613156 IVCWJUSLUXZTHO-UHFFFAOYSA-N 192.357 0.298 50 50 ACGA CCCOc1ccc(B(O)O)cc1 169745137 SOKFEJKZYHYKSY-UHFFFAOYSA-N 180.012 0.155 50 50 ACGA in-vitro CCc1ccc(B(O)O)cc1F 203362539 WSKYKIKQGUYJSL-UHFFFAOYSA-N 167.976 0.068 50 50 ACGA in-vitro CCOC(=O)C(=O)[C@H](C)Cl 205003582 WHHFJPUOJRVNFU-BYPYZUCNSA-N 164.588 0.746 50 50 ACGA Cc1c(NC(=O)CCl)cnn1C 2536493 HWYUXRWSDJFDPG-UHFFFAOYSA-N 187.630 0.906 50 50 ACGA in-vitro Cc1cc(Cl)cc(O)c1B(O)O 201160649 CBPRFVJXGNVYLO-UHFFFAOYSA-N 186.403 0.034 50 50 ACGA CC(C)=NNC(=O)CC#N 4277557 OYEOCJGDARARGK-UHFFFAOYSA-N 139.158 0.412 50 50 ACGA OB(O)[C@H]1CCN[C@H](C(F)(F)F)C1 169988601 PLCKFPMHMPWZFI-WHFBIAKZSA-N 196.965 0.144 50 50 ACGA CN(C)C=C1C=C(C=O)C(C=O)=C1 19908291 RABUCQZUJUHGKS-UHFFFAOYSA-N 177.203 0.696 50 50 ACGA OB(O)c1cc2c(F)cccc2s1 218216124 VFHIMNGLYVVYPU-UHFFFAOYSA-N 196.011 0.720 50 50 ACGA NNC(=O)c1ccccc1[N+](=O)[O-] 226745 LYGGDXLOJMNFBV-UHFFFAOYSA-N 181.151 0.198 50 50 ACGA in-vitro CCOC(=O)/C=C/C=O 2560108 SDGAEBKMHIPSAC-ONEGZZNKSA-N 128.127 0.305 50 50 ACGA N[C@H]1CCCN(C(=O)CCCl)C1 253579262 ZKLZNEGBFHRHLW-ZETCQYMHSA-N 190.674 0.565 50 50 ACGA O=Bc1cccc(C(=O)Cl)c1 169806982 SUCZGEJIYVHOJL-UHFFFAOYSA-N 166.372 0.741 50 50 ACGA C=CCCCB(O)O 169904276 OYPOYNGGXOZFOZ-UHFFFAOYSA-N 113.953 0.425 50 50 ACGA Cc1nc2ccccn2c1C(=O)NN 81397 IOWSGEGUOPGCBC-UHFFFAOYSA-N 190.206 0.246 50 50 ACGA in-vitro O=C=NCC(F)(F)F 39167974 YQOWUQLKOIACGC-UHFFFAOYSA-N 125.049 0.885 50 50 ACGA CCCOc1cccc(B(O)O)c1 169747290 SRSWMXFANVKOFH-UHFFFAOYSA-N 180.012 0.155 50 50 ACGA in-vitro CNCCCl 2037751 YFBQXUGQIFAFMM-UHFFFAOYSA-N 93.557 0.445 50 50 ACGA in-vitro Cc1cc(B(O)O)c(C)cc1F 169903901 VZEWNOKICGAJPJ-UHFFFAOYSA-N 167.976 0.122 50 50 ACGA C[C@H](c1ccc(B(O)O)s1)N(C)C 238389441 RVTWPDFHBCHIAU-ZCFIWIBFSA-N 199.084 0.051 50 50 ACGA CC(=O)NNC(=O)c1ccccc1N 32162 DASNIOAINRBXFR-UHFFFAOYSA-N 193.206 0.050 50 50 ACGA in-vitro Cc1cccc(C(=O)NN)c1C 22218081 MGVMLDWHIXDMJI-UHFFFAOYSA-N 164.208 0.907 50 50 ACGA in-vitro COc1c(C)cccc1C(=O)NN 122317 ADRNHEAMPFSFIB-UHFFFAOYSA-N 180.207 0.607 50 50 ACGA CO/C=C/C#N 2584614 IPCRTSDORDQHRO-DUXPYHPUSA-N 83.090 0.670 50 50 ACGA in-vitro O=C(Cl)c1cc(=O)cc[nH]1 148265836 PSPICFXHNFYGJN-UHFFFAOYSA-N 157.556 0.754 50 50 ACGA CCCN(N)C(=O)C1CCC1 757131892 NSECEPSLNMTMFG-UHFFFAOYSA-N 156.229 0.899 50 50 ACGA O=C1OC(=O)[C@@H]2[C@@H]3C=C[C@H]3[C@@H]12 100970820 UTFGPLWKZPCLCO-KVTDHHQDSA-N 150.133 0.118 50 50 ACGA CC[C@H](N=C=O)C(=O)O 113244262 BHPKUCFSTVSWQM-BYPYZUCNSA-N 129.115 0.185 50 50 ACGA NNC(=O)c1cc(-c2ccc[nH]2)n[nH]1 216698380 ACCSLDIPDMQCNG-UHFFFAOYSA-N 191.194 0.008 50 50 ACGA NCCBr 59066260 IZQAUUVBKYXMET-UHFFFAOYSA-N 123.981 0.340 50 50 ACGA in-vitro O=C1N[C@@H](Cc2ccccc2)C(=O)O1 100022350 GQBIVYSGPXCELZ-QMMMGPOBSA-N 191.186 0.864 50 50 ACGA in-vitro CC[C@@](C)(O)C(=O)Cl 169725970 YNUHJDPBFALNNW-RXMQYKEDSA-N 136.578 0.913 50 50 ACGA CC(C)Sc1ccc(B(O)O)cn1 169934161 AHEICUZDZXGHOQ-UHFFFAOYSA-N 197.068 0.262 50 50 ACGA in-vitro [C-]#[N+]CC(OC)OC 100000324 MEGSDTQNBQUWJR-UHFFFAOYSA-N 115.132 0.525 50 50 ACGA OB(O)c1cc(O)cc2ccccc12 238619071 OJCMZQBOMVSRMS-UHFFFAOYSA-N 187.991 0.225 50 50 ACGA in-vitro O[C@@H](CF)CCl 1577575 ZNKJYZHZWALQNX-GSVOUGTGSA-N 112.531 0.556 50 50 ACGA in-vitro C=CC[C@H]1CC(=O)OC1=O 8100973 WUMMIJWEUDHZCL-YFKPBYRVSA-N 140.138 0.652 50 50 ACGA in-vitro CCCCOc1ccc(B(O)O)cc1 169745561 QUPFQMXWFNJUNJ-UHFFFAOYSA-N 194.039 0.545 50 50 ACGA CC(=O)NCCCl 1656317 HSKNJSHFPPHTAQ-UHFFFAOYSA-N 121.567 0.361 50 50 ACGA in-vitro CC(=O)NC[C@@]1(CCl)CCNC1 2325901598 MTJMWNAQSZUCLJ-MRVPVSSYSA-N 190.674 0.341 50 50 ACGA OB(O)c1ccccc1Cl 169743227 RRCMGJCFMJBHQC-UHFFFAOYSA-N 156.377 0.020 50 50 ACGA CN(C)CCBr 1693334 LVCHXPHUKPLVRQ-UHFFFAOYSA-N 152.035 0.943 50 50 ACGA in-vitro COC(=O)[C@@H](C)Br 2046232 ACEONLNNWKIPTM-GSVOUGTGSA-N 167.002 0.943 50 50 ACGA C#CC(C)(C)N=C=O 45205886 MLNDYEGREMKGDO-UHFFFAOYSA-N 109.128 0.734 50 50 ACGA O=C(NNC(=O)C1CCC1)C1CCC1 732143083 QRVJYICHIPZNCV-UHFFFAOYSA-N 196.250 0.734 50 50 ACGA COc1ccc(/C=C/B(O)O)cc1 169745168 LGSBCAPDUJYMOQ-VOTSOKGWSA-N 177.996 0.720 50 50 ACGA CCOC(=O)/C(C#N)=C/C[N+](=O)[O-] 1857666238 ORTYOYIPIJULIY-ZZXKWVIFSA-N 184.151 0.276 50 50 ACGA CSc1ncccc1C(=O)NN 2574341 CYHNGINJLSMDNU-UHFFFAOYSA-N 183.236 0.407 50 50 ACGA in-vitro NNC(=O)c1ccc(F)cc1O 104555211 OMJPFPDFYRGJGU-UHFFFAOYSA-N 170.143 0.135 50 50 ACGA in-vitro O=S(=O)(CCCl)CCCl 1628310 LUYAMNYBNTVQJG-UHFFFAOYSA-N 191.079 0.879 50 50 ACGA O=C1OCC[C@@H]1Br 3860234 LFJJGHGXHXXDFT-VKHMYHEASA-N 164.986 0.697 50 50 ACGA in-vitro CC(C)C(=O)c1ccc(B(O)O)cc1 169934303 CFUNNCDOCRSHJT-UHFFFAOYSA-N 192.023 0.205 50 50 ACGA in-vitro OB(O)c1cc(Cl)cc(F)c1F 252487034 HQWCUVBLTRKJRJ-UHFFFAOYSA-N 192.357 0.298 50 50 ACGA COc1ccc(COC(=O)NN)cc1 156191 JKBMMHKEAGEILO-UHFFFAOYSA-N 196.206 0.795 50 50 ACGA in-vitro CC(C)c1cc(B(O)O)ccc1F 585661984 GGDRSZIXACMIRE-UHFFFAOYSA-N 182.003 0.629 50 50 ACGA NNC(=O)Cc1ccc(Cl)s1 71773352 HSJIJXBFNPDGTF-UHFFFAOYSA-N 190.655 0.934 50 50 ACGA COc1cccc(OC)c1C(=O)NN 142847 IAGDFYJEYKQMPQ-UHFFFAOYSA-N 196.206 0.307 50 50 ACGA in-vitro CC[C@H](C)[C@H](N=C=O)C(=O)OC 2556874 OLHBZFKROSWSCI-BQBZGAKWSA-N 171.196 0.910 50 50 ACGA in-vitro N#C/C(C(N)=O)=C1\CCCCCN1 67349669 XXBSPSWJXGJECJ-FPLPWBNLSA-N 179.223 0.413 50 50 ACGA O=C1OC(=O)[C@@H]2CC=CC[C@@H]12 100006086 KMOUUZVZFBCRAM-PHDIDXHHSA-N 152.149 0.652 50 50 ACGA in-vitro O=C(O)CI 3860524 JDNTWHVOXJZDSN-UHFFFAOYSA-N 185.948 0.506 50 50 ACGA in-vitro,metabolite C=CC[C@@H]1CC(=O)OC1=O 100023914 WUMMIJWEUDHZCL-RXMQYKEDSA-N 140.138 0.652 50 50 ACGA in-vitro NNC(=O)CSc1ccccc1 3138485 AEKHWCLEQBFOIS-UHFFFAOYSA-N 182.248 0.769 50 50 ACGA in-vitro COCCN(N)C(=O)OC(C)(C)C 45074639 ZPLINMFZMSNOJQ-UHFFFAOYSA-N 190.243 0.744 50 50 ACGA OB(O)c1cccc2ccsc12 169889670 RVFILKCRCVFHPV-UHFFFAOYSA-N 178.021 0.581 50 50 ACGA in-vitro NC(=O)N/N=C/c1ccncc1 301270 XONPOIORMOPYOE-BJMVGYQFSA-N 164.168 0.084 50 50 ACGA CSC#N 64634041 VYHVQEYOFIYNJP-UHFFFAOYSA-N 73.120 0.830 50 50 ACGA in-vitro CO[Si](C)(C)OC 169743213 JJQZDUKDJDQPMQ-UHFFFAOYSA-N 120.224 0.981 50 50 ACGA in-vitro Cc1ccc(CB(O)O)cc1F 170000927 OUXJUNIEIYZABT-UHFFFAOYSA-N 167.976 0.689 50 50 ACGA [C-]#[N+]CCCN1CCOCC1 95686687 IVLZMQZYYSFNMA-UHFFFAOYSA-N 154.213 0.628 50 50 ACGA [C-]#[N+]CCN1CCOCC1 59814875 MFRZPLYKVDHOSN-UHFFFAOYSA-N 140.186 0.238 50 50 ACGA OB(O)c1csc(Cl)c1 169844741 DKYYLYWTTBGVKE-UHFFFAOYSA-N 162.406 0.081 50 50 ACGA in-vitro OB(O)c1ccc(F)c(F)c1Cl 238622949 LZTHAYZFDYNMHE-UHFFFAOYSA-N 192.357 0.298 50 50 ACGA OB(O)c1cc(Cl)cc(Cl)c1 169746799 DKYRKAIKWFHQHM-UHFFFAOYSA-N 190.822 0.673 50 50 ACGA in-vitro Cc1ccc(OCC(=O)NN)cc1C 84203 HOGMUXKJTIYZAL-UHFFFAOYSA-N 194.234 0.672 50 50 ACGA in-vitro COC(=O)N[C@H](O)C(Cl)Cl 3012420 GFIYZEOOXHRICW-GSVOUGTGSA-N 188.010 0.465 50 50 ACGA NC(=O)[C@H](F)Br 8698278 VJXYSIXJDWGJNR-SFOWXEAESA-N 155.954 0.162 50 50 ACGA in-vitro ClC[C@@H]1CNCCO1 38415705 DFFKLRFMZMGFBM-RXMQYKEDSA-N 135.594 0.214 50 50 ACGA in-vitro O=C1OC(=O)[C@H]2CC=CC[C@H]12 100006091 KMOUUZVZFBCRAM-WDSKDSINSA-N 152.149 0.652 50 50 ACGA CCSc1ccc(B(O)O)cc1 169747022 LMUASBOUSAMURX-UHFFFAOYSA-N 182.053 0.478 50 50 ACGA in-vitro CCCN=C=O 1575578 OQURWGJAWSLGQG-UHFFFAOYSA-N 85.106 0.732 50 50 ACGA OCC#CCCl 2383013 RPUJAOFSZSEVPC-UHFFFAOYSA-N 104.536 0.221 50 50 ACGA in-vitro Cc1nn(C)cc1NC(=O)CCl 2536492 WHWMZLNCMKCCSO-UHFFFAOYSA-N 187.630 0.906 50 50 ACGA in-vitro C[C@@H](O)CC(=O)N/N=C/c1ccco1 3091564 PWNPXTNMTOUTDT-VSUWBIFXSA-N 196.206 0.501 50 50 ACGA C[C@](O)(CBr)C(=O)O 34142971 HBJAYXGUOOININ-BYPYZUCNSA-N 183.001 0.217 50 50 ACGA in-vitro O=C1NC2(CCCC2)C(=O)O1 147366765 JPIJBNGQJCBLKN-UHFFFAOYSA-N 155.153 0.566 50 50 ACGA CC(C)(C)[C@@H](O)C#N 68562441 SAOOLIIHRNLCBT-YFKPBYRVSA-N 113.160 0.917 50 50 ACGA in-vitro O=C1Cc2ccccc2C(=O)O1 68568695 AKHSBAVQPIRVAG-UHFFFAOYSA-N 162.144 0.926 50 50 ACGA in-vitro O=C=NCC(F)F 85652870 HHMFJCVUFBFVNG-UHFFFAOYSA-N 107.059 0.587 50 50 ACGA in-vitro OB(O)c1cccc(F)c1Cl 169743449 TYOGIUGNZOBBHE-UHFFFAOYSA-N 174.367 0.159 50 50 ACGA CNC(=O)OCCCl 2519010 QFAYNDIHWGJSRD-UHFFFAOYSA-N 137.566 0.581 50 50 ACGA CCOC(=O)/C=C/C(=O)Cl 38251119 YYLWXDIGYFPUSK-ONEGZZNKSA-N 162.572 0.871 50 50 ACGA in-vitro CCCC(=O)N(N)c1ncccn1 141495981 QJNHQFCERYSEQE-UHFFFAOYSA-N 180.211 0.483 50 50 ACGA NC(=O)N/N=C/c1cccc(O)c1O 1571899 VUVRYXKDEOUOSV-ONNFQVAWSA-N 195.178 0.100 50 50 ACGA COC(=O)[C@H](CCSC)N=C=O 2556873 LTRPJRSRZAQDQI-LURJTMIESA-N 189.236 0.617 50 50 ACGA CCCc1ccc(B(O)O)s1 169969432 MIOBBTUIJGCBCF-UHFFFAOYSA-N 170.042 0.380 50 50 ACGA N#CCC(=O)N/N=C/c1ccco1 267348 IAYGPZAOVWRTCC-UXBLZVDNSA-N 177.163 0.643 50 50 ACGA O=C(OC(=O)C1CC1)C1CC1 100508525 LZEPOJMTQYNFTR-UHFFFAOYSA-N 154.165 0.876 50 50 ACGA in-vitro CCN(C)C(=O)CBr 58852437 TUGWYSNVIJREEF-UHFFFAOYSA-N 180.045 0.860 50 50 ACGA CCCCOc1cccc(B(O)O)c1 169747600 ZTRKYYYDXARQRD-UHFFFAOYSA-N 194.039 0.545 50 50 ACGA in-vitro O=C1NC(=O)[C@@H](CCCCCl)N1 2045852 ZKHLVOULDIXSCC-RXMQYKEDSA-N 190.630 0.604 50 50 ACGA in-vitro OB(O)C1CCCCC1 169743232 XDRVAZAFNWDVOE-UHFFFAOYSA-N 127.980 0.794 50 50 ACGA in-vitro CC1(C)[C@H]2C(=O)OC(=O)[C@H]21 73069268 QKAHKEDLPBJLFD-ZXZARUISSA-N 140.138 0.342 50 50 ACGA biogenic,in-vitro O=C1OC(=O)C2=C1CCCC2 95736209 HMMBJOWWRLZEMI-UHFFFAOYSA-N 152.149 0.940 50 50 ACGA N#Cc1ccc(OCCB(O)O)cc1 170001029 WVHXBHDRVSBXSU-UHFFFAOYSA-N 190.995 0.410 50 50 ACGA OB(O)CCC(F)(F)F 198010425 WWWFGWPBMSKDOH-UHFFFAOYSA-N 141.885 0.412 50 50 ACGA C/C=C/C(=O)N(N)C1CCOCC1 757132350 QMRUOBUHKGBCEW-NSCUHMNNSA-N 184.239 0.444 50 50 ACGA C[C@H](Oc1ccccc1)C(=O)NN 117564 GSFLSJRVNIXWKZ-ZETCQYMHSA-N 180.207 0.444 50 50 ACGA in-vitro Nc1ncnc2c1ncn2CCCl 227218 KXIXGDZXYORBNW-UHFFFAOYSA-N 197.629 0.647 50 50 ACGA in-vitro CCCCN(N)C(=O)COC 757127047 JSDZGIBCGBNRAP-UHFFFAOYSA-N 160.217 0.135 50 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JVIXETMMBNQDES-UHFFFAOYSA-N 194.039 0.464 50 50 ACGA in-vitro CN(C)C(=O)[C@H](Br)C#N 2389941 HLAJXHYCSPHGGI-SCSAIBSYSA-N 191.028 0.362 50 50 ACGA OB(O)c1cc(F)c(F)c(Cl)c1 169935182 SKVAJRYSVMMITI-UHFFFAOYSA-N 192.357 0.298 50 50 ACGA ClCc1nnc2n1CCOCC2 253183510 LDSIOEWUNRVSTI-UHFFFAOYSA-N 187.630 0.590 50 50 ACGA O=c1[nH]ccn1CCCl 19089925 XNTHDQDMSUWQKT-UHFFFAOYSA-N 146.577 0.415 50 50 ACGA in-vitro O=C(Cl)N1CCNC1=O 2083216 NXJZQSRAFBHNLI-UHFFFAOYSA-N 148.549 0.370 50 50 ACGA in-vitro N#C/C=C/C#N 4712488 KYPOHTVBFVELTG-OWOJBTEDSA-N 78.074 0.590 50 50 ACGA in-vitro NCCCl 35302911 VKPPFDPXZWFDFA-UHFFFAOYSA-N 79.530 0.184 50 50 ACGA in-vitro BrCCn1cncn1 19414595 ZVBNLOPLTPPUHW-UHFFFAOYSA-N 176.017 0.673 50 50 ACGA OB(O)C1=CCCC1 169744940 UZBHNSVUMGIKLU-UHFFFAOYSA-N 111.937 0.109 50 50 ACGA in-vitro OB(O)c1cccc(C2=CCCC2)c1 169934149 SQLOZGPHXKYUCE-UHFFFAOYSA-N 188.035 0.934 50 50 ACGA in-vitro CC(C)(C#N)c1ccccc1B(O)O 170001137 NNWCZBSJIYUHSJ-UHFFFAOYSA-N 189.023 0.168 50 50 ACGA Cc1cccc(Cl)c1B(O)O 216060941 XYDCLLBIQICNJF-UHFFFAOYSA-N 170.404 0.328 50 50 ACGA O=C(CCl)N[C@@H]1CCn2ccnc21 1875367884 VXWQLQAAONXRFL-ZCFIWIBFSA-N 199.641 0.683 50 50 ACGA CC(=O)NNc1ccncc1[N+](=O)[O-] 5283506 MZXDFFGWNNDJEP-UHFFFAOYSA-N 196.166 0.453 50 50 ACGA in-vitro NC(=O)[C@@H](Cl)CCl 1599294 SQGUQSRDWXDLIH-REOHCLBHSA-N 141.985 0.318 50 50 ACGA in-vitro CO[C@@H](C)c1ccc(B(O)O)cc1 169794602 MXJVIYUOJJYGRL-ZETCQYMHSA-N 180.012 0.074 50 50 ACGA in-vitro COCC(=O)N(N)c1ccc(C)cc1 757129393 WLFDEIJDDWJSEW-UHFFFAOYSA-N 194.234 0.848 50 50 ACGA O=C(CCl)NCC1CC1 13566708 DSXCOZAXXDGYAX-UHFFFAOYSA-N 147.605 0.751 50 50 ACGA in-vitro COC(=O)N(N)C(C)C 144825165 PEKJVRGLLHQDJN-UHFFFAOYSA-N 132.163 0.337 50 50 ACGA NC(=O)NN=C1[C@@H]2C=CC3C=C[C@@H]1C32 45070764 NHAJRYJJEDMZNJ-MIDKJMSJSA-N 189.218 0.629 50 50 ACGA CN1CCO[Si](C)(C)C1 169811426 GGPLWEZGITVTJX-UHFFFAOYSA-N 145.278 0.693 50 50 ACGA ClCCCN1CCOCC1 19851217 PIAZYBLGBSMNLX-UHFFFAOYSA-N 163.648 0.948 50 50 ACGA in-vitro OB(O)c1cc(Cl)nc(Cl)c1 169747332 JFUQZFQJFYZZGY-UHFFFAOYSA-N 191.810 0.068 50 50 ACGA in-vitro CO[C@H](C)c1ccc(B(O)O)cc1 169794601 MXJVIYUOJJYGRL-SSDOTTSWSA-N 180.012 0.074 50 50 ACGA in-vitro COC(=O)CC[C@H]1C[C@H](Cl)NO1 252491010 LIDQNNAKNZIQBC-NTSWFWBYSA-N 193.630 0.798 50 50 ACGA O=C(O)C(=O)CBr 1718542 PRRZDZJYSJLDBS-UHFFFAOYSA-N 166.958 0.035 50 50 ACGA in-vitro N#CS/C=C\C(=O)O 17022405 OQYPGQSDSUQZBM-UPHRSURJSA-N 129.140 0.799 50 50 ACGA CNC(=O)[C@@H](C)Br 34386728 ALSQAGFRBPHNIQ-GSVOUGTGSA-N 166.018 0.516 50 50 ACGA COC(=O)[C@@H](Cl)C(=O)Cl 136266647 VGLAESBBSQCKBP-REOHCLBHSA-N 170.979 0.532 50 50 ACGA OB(O)c1cccc(N=C=S)c1 169809131 LWXRUUUFDMOXSI-UHFFFAOYSA-N 179.009 0.101 50 50 ACGA in-vitro Cn1ncc([N+](=O)[O-])c1C(=O)Cl 2521280 SRXRCBHJNPTZTL-UHFFFAOYSA-N 189.558 0.707 50 50 ACGA COC(=O)C1=C(C#N)COC1 39087802 OIRPAPQLLAVIEB-UHFFFAOYSA-N 153.137 0.010 50 50 ACGA O=C=N[C@@H](CC1CC1)C(=O)O 757189053 QRFZVIRCIWIUOP-LURJTMIESA-N 155.153 0.576 50 50 ACGA OB(O)Cc1c(F)cccc1F 170000782 FEUIUQKHUKJPKT-UHFFFAOYSA-N 171.939 0.519 50 50 ACGA COC[C@H](Cl)C(=O)O 2506656 SSWGTERYCJZJPQ-VKHMYHEASA-N 138.550 0.325 50 50 ACGA in-vitro O=C(Cl)c1cnccn1 2569383 TXJKATOSKLUITR-UHFFFAOYSA-N 142.545 0.856 50 50 ACGA CSc1ccc(B(O)O)cc1C 196801499 MKFDONWOZBIQGF-UHFFFAOYSA-N 182.053 0.397 50 50 ACGA C=CN=C=O 2509860 WARQUFORVQESFF-UHFFFAOYSA-N 69.063 0.466 50 50 ACGA Cc1ccc2ccccc2c1B(O)O 169748398 RIZYBSMDFJDHOI-UHFFFAOYSA-N 186.019 0.828 50 50 ACGA in-vitro Cc1c(B(O)O)ccc2ccccc12 169888405 WRMHOUYVGICNFF-UHFFFAOYSA-N 186.019 0.828 50 50 ACGA in-vitro CO[C@H]1CS(=O)(=O)C[C@@H]1Cl 1082349 KZWROUAVGMYMLS-WHFBIAKZSA-N 184.644 0.037 50 50 ACGA in-vitro COC(=O)C(=O)[C@H](C)Br 38338917 HYDCQMJFDPQCJH-VKHMYHEASA-N 195.012 0.512 50 50 ACGA in-vitro NNC(=O)C[C@H](O)c1ccccc1 39409434 GSDOOFNWRLKUIN-QMMMGPOBSA-N 180.207 0.100 50 50 ACGA CCOC(=O)N=C=O 1711364 VMVZGGPZNHFGKS-UHFFFAOYSA-N 115.088 0.479 50 50 ACGA in-vitro CC(=O)N(N)CC(F)(F)F 116571677 OTOFBEVNUAKNLJ-UHFFFAOYSA-N 156.107 0.271 50 50 ACGA BrCc1ncon1 76819539 CYGWLSOUOSBTLQ-UHFFFAOYSA-N 162.974 0.965 50 50 ACGA in-vitro CCCC(=O)NNC(=O)CCC 1675737 YSGWZHXCNJWCBN-UHFFFAOYSA-N 172.228 0.734 50 50 ACGA O=C1OC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2[C@H]2C[C@H]21 169226933 QMLYJZNAGFCCGP-JQVLLDJOSA-N 190.198 0.754 50 50 ACGA in-vitro C[C@@]12CC[C@@H](O1)[C@@]1(C)C(=O)OC(=O)[C@@H]21 169619032 RTNKDKBKFNMTBN-OFLNYADTSA-N 196.202 0.644 50 50 ACGA C[C@@H](CN)CCl 44249076 IHYMTVGUOZKLFK-SCSAIBSYSA-N 107.584 0.820 50 50 ACGA in-vitro COC(=O)C(=O)CCCCl 199860710 SEGRCTRIKUJTNE-UHFFFAOYSA-N 164.588 0.748 50 50 ACGA in-vitro COC(=O)[C@H](N=C=O)C(C)(C)C 209418408 KIWOXGRYRHPUQC-LURJTMIESA-N 171.196 0.910 50 50 ACGA N#CC1=C(N)SCC1 79006601 FOCRBNWARAKKSL-UHFFFAOYSA-N 126.184 0.817 50 50 ACGA O=C(OCCl)N1CCOCC1 140658367 LHXLWSDJXYETLZ-UHFFFAOYSA-N 179.603 0.652 50 50 ACGA O=C1OC(=O)[C@@H]2[C@@H]1[C@@H]1C=C[C@H]2CC1 33356174 YIHKILSPWGDWPR-YWIQKCBGSA-N 178.187 0.898 50 50 ACGA CC(=O)O[Si](C)(C)OC(C)=O 169743420 RQVFGTYFBUVGOP-UHFFFAOYSA-N 176.244 0.814 50 50 ACGA COC[C@H](Br)C(=O)OC 1606636 NVBLRKGCQVZDMQ-BYPYZUCNSA-N 197.028 0.569 50 50 ACGA CC(C)[C@@H](O)C(C)(C)[C@H](O)C#N 100435779 QRIVFPKZTKGPJA-HTQZYQBOSA-N 171.240 0.914 50 50 ACGA CSc1cc(C(=O)NN)ccn1 215963282 RNGFGOQZFXOUMW-UHFFFAOYSA-N 183.236 0.407 50 50 ACGA CCOC[C@H](O)CCl 2159847 XHIINWKFCZSGNY-RXMQYKEDSA-N 138.594 0.623 50 50 ACGA C=CC(=O)N[C@@H](O)C(Cl)Cl 101368909 BICLFDXXSGFMEV-YFKPBYRVSA-N 184.022 0.411 50 50 ACGA OB(O)c1ccccc1C(F)(F)F 169746459 JNSBEPKGFVENFS-UHFFFAOYSA-N 189.929 0.385 50 50 ACGA in-vitro CCCC(=O)N(N)C1CCOCC1 757131402 KAPGTHRHXIYGAK-UHFFFAOYSA-N 186.255 0.668 50 50 ACGA O=C1OC(=O)C2CC1C2 101046481 FUOFSQHOEZYEDA-UHFFFAOYSA-N 126.111 0.096 50 50 ACGA CC(C)Cc1ccc(B(O)O)cc1 169744931 YZSPHVWALUJQNK-UHFFFAOYSA-N 178.040 0.565 50 50 ACGA CC1=CC(=O)OC1=O 8100877 AYKYXWQEBUNJCN-UHFFFAOYSA-N 112.084 0.016 50 50 ACGA O=C1OC(=O)c2ncccc21 8100881 MCQOWYALZVKMAR-UHFFFAOYSA-N 149.105 0.392 50 50 ACGA in-vitro C/C=C/C=N/NC(=O)CC#N 670418705 KHHALDQMYRDANL-SYWUFUJHSA-N 151.169 0.578 50 50 ACGA C[Si](C)(O)c1ccco1 169744790 AAYDPVXTNSQTRC-UHFFFAOYSA-N 142.230 0.684 50 50 ACGA in-vitro OB(O)CCc1ccccc1 169745352 VPRUMANMDWQMNF-UHFFFAOYSA-N 149.986 0.702 50 50 ACGA in-vivo O=C(CCCl)N[C@@H]1CCCNC1 642886471 VCZDQQDNQDLHGY-SSDOTTSWSA-N 190.674 0.484 50 50 ACGA C[C@H](Cl)C(N)=O 2166831 OEZPDHRXGCLGKB-REOHCLBHSA-N 107.540 0.099 50 50 ACGA in-vitro COCc1noc(CCl)n1 21953090 VLXVPDOWMACDNZ-UHFFFAOYSA-N 162.576 0.955 50 50 ACGA in-vitro Cc1cc(Cl)ccc1B(O)O 169744859 SRXXSLUUAWHGBZ-UHFFFAOYSA-N 170.404 0.328 50 50 ACGA COc1ccc(C(=O)NN)cc1 152536 REKQLYUAUXYJSZ-UHFFFAOYSA-N 166.180 0.299 50 50 ACGA in-vitro CCCOc1ccc(B(O)O)c(C)c1 169877009 MMQDERNOLILBBE-UHFFFAOYSA-N 194.039 0.464 50 50 ACGA COC(=O)N[C@@H](O)C(Cl)Cl 3012421 GFIYZEOOXHRICW-VKHMYHEASA-N 188.010 0.465 50 50 ACGA O[C@H](CF)CBr 16158594 VOUMDHWNLNQWDT-VKHMYHEASA-N 156.982 0.712 50 50 ACGA CC(C)Oc1ccc(B(O)O)cc1 169743397 CJUHQADBFQRIMC-UHFFFAOYSA-N 180.012 0.154 50 50 ACGA in-vitro CC(C)N(N)C(=O)N1CCOCC1 757128760 RQGNZRMKOFCQFB-UHFFFAOYSA-N 187.243 0.023 50 50 ACGA ClC[C@@H]1COCCO1 5191046 SFABQWISNPPOOB-RXMQYKEDSA-N 136.578 0.641 50 50 ACGA in-vitro COc1ccccc1C(=O)NN 156105 QMGXWNSSMGAHCA-UHFFFAOYSA-N 166.180 0.299 50 50 ACGA in-vitro O=C(O)[C@@H](Cl)CCl 2034721 GKFWNPPZHDYVLI-REOHCLBHSA-N 142.969 0.917 50 50 ACGA in-vitro O=S(=O)(O)CCBr 4261812 OQFSYHWITGFERZ-UHFFFAOYSA-N 189.030 0.269 50 50 ACGA in-vitro NNC(=O)c1ccc2c(c1)NCC2 166900960 BWCBUEMPPUQHQW-UHFFFAOYSA-N 177.207 0.258 50 50 ACGA CN(C)C(=O)CBr 1706700 QPIOVNJLOVNTMW-UHFFFAOYSA-N 166.018 0.470 50 50 ACGA in-vitro CCOC(=O)[C@@H](N=C=O)C(C)C 2555346 LXPOIQVGVGYFJA-ZETCQYMHSA-N 171.196 0.910 50 50 ACGA C[C@H](O)CC(=O)N/N=C/c1ccco1 3091562 PWNPXTNMTOUTDT-FSEMZKDTSA-N 196.206 0.501 50 50 ACGA O=C1CC[C@H](CBr)N1 4202905 QFOSFXPTXNRRMF-SCSAIBSYSA-N 178.029 0.660 50 50 ACGA in-vitro NC(=O)[C@@H]1[C@H]2C[C@H]3[C@@H]([C@H]2Cl)[C@@H]13 254735837 ZBIPENSSBJUZNG-GEGSFZHJSA-N 171.627 0.591 50 50 ACGA Cc1cc(B(O)O)cc(C)c1Cl 169747876 BDAZHAUVPSQIKL-UHFFFAOYSA-N 184.431 0.637 50 50 ACGA in-vitro Cn1cc(/C=C(/C#N)C(=O)O)cn1 206447844 MMHBDTXUDSOMKD-UQCOIBPSSA-N 177.163 0.412 50 50 ACGA NC(=O)[C@H]1[C@H]2C[C@H]3[C@@H]([C@H]2Cl)[C@H]31 254735839 ZBIPENSSBJUZNG-XZAJRHLXSA-N 171.627 0.591 50 50 ACGA CN(C)c1ccccc1C(=O)NN 71774258 RJKMSKGGKGSSPH-UHFFFAOYSA-N 179.223 0.356 50 50 ACGA CC[C@H](O)C#N 85547004 NHSSTOSZJANVEV-BYPYZUCNSA-N 85.106 0.281 50 50 ACGA NC(=O)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3[C@@H]2Cl 254735836 ZBIPENSSBJUZNG-AGZHHQKVSA-N 171.627 0.591 50 50 ACGA CCO/C=C(\C#N)C(=O)OCC 2044004 KTMGNAIGXYODKQ-VOTSOKGWSA-N 169.180 0.993 50 50 ACGA in-vitro CO[C@@H]1CC[C@H]1NC(=O)[C@H](C)Cl 675075941 HBDHENKQMLMANJ-RRKCRQDMSA-N 191.658 0.907 50 50 ACGA C/C=C/C(=O)N(N)C(C)C 757132570 VAGVXNZHMOABSU-SNAWJCMRSA-N 142.202 0.673 50 50 ACGA CC(=O)NNC(=O)NC1CCCCC1 3075383 WBJXSLDHPTVBGP-UHFFFAOYSA-N 199.254 0.669 50 50 ACGA OB(O)C1=C[C@H]2CC[C@H]1C2 169745718 USTOMIGLBPEIBM-WDSKDSINSA-N 137.975 0.355 50 50 ACGA in-vitro OCCCCCl 1712476 HXHGULXINZUGJX-UHFFFAOYSA-N 108.568 0.998 50 50 ACGA in-vitro C[C@@H]1C[C@](O)(C#N)[C@H](C)CN1C 59873991 JYZKVJLQFGCECG-HLTSFMKQSA-N 168.240 0.601 50 50 ACGA in-vitro CNC(=O)CCCl 1694568 UZWXYEHTFDWCIS-UHFFFAOYSA-N 121.567 0.361 50 50 ACGA in-vitro O=P(O)(O)CCBr 4015984 BFKXVERGWXHHIH-UHFFFAOYSA-N 188.945 0.559 50 50 ACGA in-vitro CCCCN(N)C(C)=O 148962100 FSFNYYBWKGVUPK-UHFFFAOYSA-N 130.191 0.509 50 50 ACGA O=S1(=O)CC[C@@H](N=C=S)C1 3865998 PSOFIRZPDGOPJE-RXMQYKEDSA-N 177.250 0.276 50 50 ACGA in-vitro ClCC1OCCCO1 4800724 KFDXDCZKRGYUAE-UHFFFAOYSA-N 136.578 0.988 50 50 ACGA in-vitro C[C@@H](Cl)C(=O)N[C@H]1CCCNC1 675060160 SOQVRSCRBCLOAM-RQJHMYQMSA-N 190.674 0.482 50 50 ACGA OCCOCCOCCCl 1641047 KECMLGZOQMJIBM-UHFFFAOYSA-N 168.620 0.251 50 50 ACGA in-vitro CCCOC(=O)N(N)C1CC1 757131805 LPASISGHKGGAHY-UHFFFAOYSA-N 158.201 0.871 50 50 ACGA CCN1C(=O)CC(C)=C(C#N)C1=O 220006043 FVCVCAVMZUAGBX-UHFFFAOYSA-N 178.191 0.605 50 50 ACGA O=C1OC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]12 254762985 UTFGPLWKZPCLCO-FBXFSONDSA-N 150.133 0.118 50 50 ACGA OB(O)c1cc(F)cc2ccoc12 756957721 LDTUFNBKXMHVOA-UHFFFAOYSA-N 179.943 0.252 50 50 ACGA Cc1cccc(OCC(=O)NN)c1C 244381 IMRIARQZPKNHKZ-UHFFFAOYSA-N 194.234 0.672 50 50 ACGA in-vitro CC(C)(C)c1ccc(O)c(B(O)O)c1 204629152 KAHMKMRXTYEUCA-UHFFFAOYSA-N 194.039 0.370 50 50 ACGA NNC(=O)Cc1c[nH]c2ccccc12 153574 GYHLCXMCGCVVCG-UHFFFAOYSA-N 189.218 0.700 50 50 ACGA NNC(=O)c1ccc(F)cc1 153714 UIVXXFYJRYVRKJ-UHFFFAOYSA-N 154.144 0.429 50 50 ACGA in-vitro NNC(=O)c1cccc(F)c1 403973 UUISEXNUHLZEDB-UHFFFAOYSA-N 154.144 0.429 50 50 ACGA in-vitro CC(=O)Cl 6661287 WETWJCDKMRHUPV-UHFFFAOYSA-N 78.498 0.772 50 50 ACGA in-vitro C[C@H](Cl)C(=O)NC1=NCCS1 19093291 BBJWWVOKRBBWHW-BYPYZUCNSA-N 192.671 0.833 50 50 ACGA in-vitro NCCCCCl 39269899 OEOOQMSPHMFXJL-UHFFFAOYSA-N 107.584 0.964 50 50 ACGA in-vitro Cc1ccc(OCC(=O)NN)cc1 63728 BJAPYOSQJTZYQH-UHFFFAOYSA-N 180.207 0.364 50 50 ACGA in-vitro CC(C)Oc1ccc(B(O)O)cc1F 169747919 XZQQJUVWZYJYPN-UHFFFAOYSA-N 198.002 0.293 50 50 ACGA in-vitro O=S(=O)(O)CCCl 4261819 FXKMTSIKHBYZSZ-UHFFFAOYSA-N 144.579 0.113 50 50 ACGA in-vitro COC(=O)COCCCl 21990560 RDFIZBYHUOHTQI-UHFFFAOYSA-N 152.577 0.415 50 50 ACGA in-vitro CC(C)n1nnnc1CCl 26466861 XZEVUBFNZOPOSM-UHFFFAOYSA-N 160.608 0.993 50 50 ACGA in-vitro COc1ccc([C@H](O)C#N)cc1O 85563734 LBYKSAUDCXUPDJ-MRVPVSSYSA-N 179.175 0.958 50 50 ACGA in-vitro CCCCNP(N)(N)=O 72399516 LFOGKIUXIQBHHN-UHFFFAOYSA-N 151.150 0.402 50 50 ACGA in-vitro C[C@H](Cl)C(=O)N[C@@H]1CCCNC1 642886456 SOQVRSCRBCLOAM-NKWVEPMBSA-N 190.674 0.482 50 50 ACGA O=S1(=O)CC(Cl)C1 1674464 MHGRPTSHTMXAKQ-UHFFFAOYSA-N 140.591 0.022 50 50 ACGA in-vitro CC(=O)OO 38141555 KFSLWBXXFJQRDL-UHFFFAOYSA-N 76.051 0.023 50 50 ACGA endogenous,in-man N#C[C@@H](Cl)C=O 38292292 RJOJHKXZYVLLKN-GSVOUGTGSA-N 103.508 0.316 50 50 ACGA CO[Si](CCCN)(OC)OC 169743155 SJECZPVISLOESU-UHFFFAOYSA-N 179.292 0.213 50 50 ACGA in-vitro OB(O)/C=C/c1cccc(F)c1 169799291 ONXKUGHKGCSZJO-SNAWJCMRSA-N 165.960 0.851 50 50 ACGA Cc1cccc2cc(B(O)O)cnc12 170000016 QNMGKSYRNLBGNT-UHFFFAOYSA-N 187.007 0.223 50 50 ACGA in-vitro O=C1OC(=O)c2ccccc21 8100883 LGRFSURHDFAFJT-UHFFFAOYSA-N 148.117 0.997 50 50 ACGA biogenic,in-vitro COCCc1noc(CCl)n1 21953353 DGRUCCSICIDDGX-UHFFFAOYSA-N 176.603 0.997 50 50 ACGA in-vitro O=C1OC(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@H]12 100970817 UTFGPLWKZPCLCO-KAZBKCHUSA-N 150.133 0.118 50 50 ACGA C[C@H](Br)C(N)=O 2170245 AUHYZQCEIVEMFH-REOHCLBHSA-N 151.991 0.255 50 50 ACGA CCC(=O)N(N)C1CC1 757131262 GTTJGSOKVJORIU-UHFFFAOYSA-N 128.175 0.261 50 50 ACGA OB(O)c1cc(F)c(Cl)c(F)c1 169746430 QFZAPMPDGUNQDD-UHFFFAOYSA-N 192.357 0.298 50 50 ACGA in-vitro CC(C)c1ccccc1B(O)O 169746995 KTZUVUWIBZMHMC-UHFFFAOYSA-N 164.013 0.490 50 50 ACGA in-vitro NC(=O)NN=Cc1ccc([N+](=O)[O-])o1 253624240 IAIWVQXQOWNYOU-UHFFFAOYSA-N 198.138 0.190 50 50 ACGA CCc1ccc(C(=O)NN)s1 2381392 VCNHIBSLOGNADX-UHFFFAOYSA-N 170.237 0.914 50 50 ACGA in-vitro COC(=O)N=C=O 2384736 YOVQDZPAVARTTR-UHFFFAOYSA-N 101.061 0.089 50 50 ACGA in-vitro C[C@@H](Oc1ccc(F)cc1)C(=O)NN 2387730 IWSHFXHHJMUTPS-ZCFIWIBFSA-N 198.197 0.583 50 50 ACGA in-vitro O=C1OC(=O)C(Cl)=C1Cl 8100876 AGULWIQIYWWFBJ-UHFFFAOYSA-N 166.947 0.759 50 50 ACGA in-vitro O=C(O)[C@@H](F)Cl 8622433 JBIKZDFUXGHTHD-PVQJCKRUSA-N 112.487 0.605 50 50 ACGA in-vitro CC(C)C[C@@H]1NC(=O)OC1=O 100025780 JHWZWIVZROVFEM-YFKPBYRVSA-N 157.169 0.668 50 50 ACGA in-vitro CC1=C(CCC(=O)O)C(=O)OC1=O 98081909 FWBJLYXRIRBVQG-UHFFFAOYSA-N 184.147 0.251 50 50 ACGA in-vitro C=CC(=O)NNC(=O)c1ccccc1 144766088 DJURFDUDNBUJNM-UHFFFAOYSA-N 190.202 0.634 50 50 ACGA in-vitro OB(O)Cc1ccccc1Cl 203428604 JHDZJRYKSWVGNS-UHFFFAOYSA-N 170.404 0.895 50 50 ACGA COC(=O)CC[C@@H]1C[C@@H](Cl)NO1 252491012 LIDQNNAKNZIQBC-RITPCOANSA-N 193.630 0.798 50 50 ACGA C[C@H](Cl)C(=O)N1CCC[C@H](N)C1 675059968 OSYDESXIIAJQNB-BQBZGAKWSA-N 190.674 0.563 50 50 ACGA C[C@H](Br)C(=O)O 2034508 MONMFXREYOKQTI-REOHCLBHSA-N 152.975 0.854 50 50 ACGA in-vitro O=C1CC[C@H](CBr)CN1 225520393 JBIYETMHWVBXDI-RXMQYKEDSA-N 192.056 0.908 50 50 ACGA O=C1OC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]12 8100955 KNDQHSIWLOJIGP-UMRXKNAASA-N 164.160 0.508 50 50 ACGA CC(=O)Nc1ccc(C(=O)NN)cc1 136259 UDPWXDGMUJDCMR-UHFFFAOYSA-N 193.206 0.249 50 50 ACGA in-vitro OB(O)c1cc2cccc(F)c2o1 229506400 DAWCSQPYOXXIGQ-UHFFFAOYSA-N 179.943 0.252 50 50 ACGA CN(C)CC(=O)Cl 38202001 VTYRPALGSNDUQQ-UHFFFAOYSA-N 121.567 0.313 50 50 ACGA in-vitro Cc1ccc(F)c(B(O)O)c1Cl 169747966 FOZVMQJCNIKFOB-UHFFFAOYSA-N 188.394 0.467 50 50 ACGA in-vitro O=Bc1ccc(C(=O)Cl)cc1 169794530 RALWBYDDHGJLPP-UHFFFAOYSA-N 166.372 0.741 50 50 ACGA C#CCN1C[C@H](C)[C@](O)(C#N)C[C@@H]1C 230046676 DIEWLHNVSGSVEY-GARJFASQSA-N 192.262 0.605 50 50 ACGA C[C@H](Cl)CO 1712064 VZIQXGLTRZLBEX-VKHMYHEASA-N 94.541 0.606 50 50 ACGA endogenous,in-man C[Si](C)(C)O 169743431 AAPLIUHOKVUFCC-UHFFFAOYSA-N 90.198 0.814 50 50 ACGA in-vitro CO[C@@H]1CC[C@H]1NC(=O)[C@@H](C)Cl 675075937 HBDHENKQMLMANJ-FSDSQADBSA-N 191.658 0.907 50 50 ACGA OB(O)c1ccc2ncccc2c1F 1772572521 MNYFNRYIOGPYOZ-UHFFFAOYSA-N 190.970 0.054 50 50 ACGA CC(C)C(=O)NNC(=O)C(C)C 1755198 NGVWLNUFXCLALB-UHFFFAOYSA-N 172.228 0.446 50 50 ACGA C=COC(=O)CCl 2507818 XJELOQYISYPGDX-UHFFFAOYSA-N 120.535 0.912 50 50 ACGA in-vitro CC(C)C[C@H](O)C#N 85882423 HAQDYBJHNGGTLI-LURJTMIESA-N 113.160 0.917 50 50 ACGA O=C/C(=C\O)c1ccncn1 100308758 ZRGQRQGCDKAEPY-ZZXKWVIFSA-N 150.137 0.574 50 50 ACGA N#CCc1ccc(B(O)O)c(Cl)c1 170000960 HIBYSNJKMXZFQH-UHFFFAOYSA-N 195.414 0.086 50 50 ACGA C[C@]12C(=O)OC(=O)[C@H]1[C@H]1CC[C@H]2O1 100764767 RJXMWQSSXZMNIT-MWKIOEHESA-N 182.175 0.254 50 50 ACGA in-vivo CCOC(=O)CCCN=C=O 2387273 GVDRIEURYWMQNO-UHFFFAOYSA-N 157.169 0.666 50 50 ACGA in-vitro NNC(=O)c1ccc(Cl)cc1 154658 PKBGHORNUFQAAW-UHFFFAOYSA-N 170.599 0.944 50 50 ACGA in-vitro OB(O)c1cc(-c2ccccc2)on1 170001320 XEYNQSSHYOBBLG-UHFFFAOYSA-N 188.979 0.021 50 50 ACGA O=C1C[C@@H]([C@H]2CCCO2)C(=O)O1 100477873 CINCBZDVMGZOQJ-NTSWFWBYSA-N 170.164 0.255 50 50 ACGA biogenic O=C(O)COCCOCCCl 200827848 WNFWETCQRCCYKU-UHFFFAOYSA-N 182.603 0.343 50 50 ACGA CC(C)CS(=O)(=O)S 11549114 NKOKBKOGJKOUTJ-UHFFFAOYSA-N 154.256 0.902 50 50 ACGA Cc1nnc(CCl)n1C 59270571 LSWIXGUFXFSQHS-UHFFFAOYSA-N 145.593 0.862 50 50 ACGA in-vitro OB(O)[C@@H]1CCN[C@H](C(F)(F)F)C1 169988598 PLCKFPMHMPWZFI-UHNVWZDZSA-N 196.965 0.144 50 50 ACGA C=CCCc1ccc(B(O)O)cc1 228973708 LIRZHLRXOADXLE-UHFFFAOYSA-N 176.024 0.485 50 50 ACGA Cc1nc(C(=O)NN)cs1 1047531 ONAWFUIPKRAZKL-UHFFFAOYSA-N 157.198 0.055 50 50 ACGA in-vitro CC(C)(C)CB(O)O 169904082 VCPOZKMTAGEGOT-UHFFFAOYSA-N 115.969 0.505 50 50 ACGA in-vitro CC(C)NC(=O)CCl 161218 GYPNJSBBOATUPK-UHFFFAOYSA-N 135.594 0.750 50 50 ACGA Cc1occc1C(=O)NN 2379703 ZFQJEDANHVDMLS-UHFFFAOYSA-N 140.142 0.192 50 50 ACGA in-vitro C[Si](C)(C)CB(O)O 169983441 KYWLLEMZUONDCC-UHFFFAOYSA-N 132.044 0.337 50 50 ACGA O=C1CC[C@@H](CCl)O1 4411045 HPLJEKXDAFHJPD-BYPYZUCNSA-N 134.562 0.931 50 50 ACGA in-vitro NC(=O)[C@@H](F)Cl 4934607 BUIKMFCMUJNGDU-PVQJCKRUSA-N 111.503 0.006 50 50 ACGA in-vitro NNC(=O)OCc1ccccc1 403316 RXUBZLMIGSAPEJ-UHFFFAOYSA-N 166.180 0.787 50 50 ACGA in-vitro C=C(C#N)C(=O)OCC 2507893 FGBJXOREULPLGL-UHFFFAOYSA-N 125.127 0.629 50 50 ACGA in-vitro CC1CC(=O)OC(=O)C1 95736267 MGICRVTUCPFQQZ-UHFFFAOYSA-N 128.127 0.486 50 50 ACGA Cc1c(B(O)O)oc2ccccc12 169747526 KXPBYTSLFQFSCG-UHFFFAOYSA-N 175.980 0.421 50 50 ACGA CCOC(=O)c1nc(CCl)no1 16697548 JIKCEFWHWIEUHQ-UHFFFAOYSA-N 190.586 0.985 50 50 ACGA in-vitro COc1ccc(C(=O)NN)cc1OC 1458097 LJMQIGMMUZLDOC-UHFFFAOYSA-N 196.206 0.307 50 50 ACGA in-vitro CNC(=O)Cl 4963934 GRRYSIXDUIAUGY-UHFFFAOYSA-N 93.513 0.565 50 50 ACGA in-vitro NC(=O)N/N=C1/[C@H]2C=C[C@H]2[C@H]2C[C@@H]12 71785321 KBCSOMPUEKDGRE-PCGQHHNLSA-N 177.207 0.463 50 50 ACGA NC(=O)NN=C1[C@H]2C=CC3C=C[C@H]1C32 101046124 NHAJRYJJEDMZNJ-BWWPFHEWSA-N 189.218 0.629 50 50 ACGA CC(C)=C(C#N)[C@H](O)C#N 1307306097 TXHXKUXOEGOQGP-SSDOTTSWSA-N 136.154 0.731 50 50 ACGA NNC(=O)c1ccccc1Cl 152501 KPPNLSKVTKSSTG-UHFFFAOYSA-N 170.599 0.944 50 50 ACGA in-vitro COC(=O)CN=C=S 1755266 GOWGDPFDGIPFIK-UHFFFAOYSA-N 131.156 0.262 50 50 ACGA in-vitro COC(=O)C(=O)[C@@H](C)Br 38338918 HYDCQMJFDPQCJH-GSVOUGTGSA-N 195.012 0.512 50 50 ACGA in-vitro N#CC(C#N)=C1CCCS(=O)(=O)C1 306539606 VGEYEUCHTWRXAF-UHFFFAOYSA-N 196.231 0.539 50 50 ACGA COc1ccc(C(=O)NN)c(OC)c1 323469 MFLNKGMNBJMNNR-UHFFFAOYSA-N 196.206 0.307 50 50 ACGA in-vitro CN(C)C=C(C#N)C#N 159434 LBUDLOYYNHQKQI-UHFFFAOYSA-N 121.143 0.479 50 50 ACGA in-vitro O=C1C=C(Br)C(=O)O1 8100875 YPRMWCKXOZFJGF-UHFFFAOYSA-N 176.953 0.349 50 50 ACGA O=C1C[C@H]([C@@H]2CCCO2)C(=O)O1 70665121 CINCBZDVMGZOQJ-RITPCOANSA-N 170.164 0.255 50 50 ACGA biogenic Cc1ccc(B(O)O)c(F)c1C 238530303 MTQOEPJVBZYWCC-UHFFFAOYSA-N 167.976 0.122 50 50 ACGA CC(=O)N[C@@H](O)C(Cl)Cl 1587583 ORGXKMSIEODUAN-BYPYZUCNSA-N 172.011 0.245 50 50 ACGA CCOC(=O)NNC(=O)OCC 1666526 JXMLAPZRDDWRRV-UHFFFAOYSA-N 176.172 0.394 50 50 ACGA COC(=O)CCCN=C=O 2524697 RFJYIMHSDXFLQF-UHFFFAOYSA-N 143.142 0.275 50 50 ACGA in-vitro OB(O)/C=C/c1ccccc1 169743273 VKIJXFIYBAYHOE-VOTSOKGWSA-N 147.970 0.712 50 50 ACGA in-vivo C=C[C@H](O)CBr 1997856 PDAWHBQDMPNZQI-BYPYZUCNSA-N 151.003 0.928 50 50 ACGA in-vitro CCO[Si](O)(OCC)OCC 169747072 FYUZFGQCEXHZQV-UHFFFAOYSA-N 180.276 0.524 50 50 ACGA Cc1cccc2ccc(B(O)O)nc12 169967530 MHXKQUYXGPFCBF-UHFFFAOYSA-N 187.007 0.223 50 50 ACGA NNC(=O)CSCc1ccccc1 6529649 SZTZPVACZQKSJN-UHFFFAOYSA-N 196.275 0.910 50 50 ACGA OB(O)c1ccccc1OCC1CC1 169806816 FWFQJSWJLZPMAL-UHFFFAOYSA-N 192.023 0.155 50 50 ACGA in-vitro OB(O)C1=Cc2ccccc2C1 170029820 VBMIZCKXRRAXBK-UHFFFAOYSA-N 159.981 0.638 50 50 ACGA Cc1cc(B(O)O)c(C)cc1Cl 203527708 JPJIFQMIFNDDCU-UHFFFAOYSA-N 184.431 0.637 50 50 ACGA NNC(=O)CCc1ccccc1O 286611 VOYZQISHSPGPFX-UHFFFAOYSA-N 180.207 0.315 50 50 ACGA in-vitro CCNC(=O)[C@H](C)Br 1591780 DOQUSEJOWOMUEH-BYPYZUCNSA-N 180.045 0.906 50 50 ACGA CC(=O)N=C=S 2386803 VITFJKNVGRZRKB-UHFFFAOYSA-N 101.130 0.636 50 50 ACGA CSC(=S)NNC(C)=O 4831691 KLIYBJRVRPVDPD-UHFFFAOYSA-N 164.255 0.275 50 50 ACGA NNC(=O)CC1CCCC1 19260423 JUEVXKQPVUYIEJ-UHFFFAOYSA-N 142.202 0.557 50 50 ACGA CCCCc1ccc(B(O)O)cc1 169743394 UGZUUTHZEATQAM-UHFFFAOYSA-N 178.040 0.709 50 50 ACGA in-vivo CC(C)Oc1cc(F)ccc1B(O)O 169747375 RSEFJQODCQCGRB-UHFFFAOYSA-N 198.002 0.293 50 50 ACGA O=C1CCOC[C@@H]1Br 82048296 ZGULSQDBOSMIBZ-BYPYZUCNSA-N 179.013 0.739 50 50 ACGA in-vitro COC(CCl)(OC)OC 2558997 NPEIUNVTLXEOLT-UHFFFAOYSA-N 154.593 0.818 50 50 ACGA O=C=NCCCl 1562081 BCMYXYHEMGPZJN-UHFFFAOYSA-N 105.524 0.561 50 50 ACGA in-vitro CCOC(=O)C(=O)CBr 1691048 VICYTAYPKBLQFB-UHFFFAOYSA-N 195.012 0.514 50 50 ACGA N#CCC(=O)Cl 37625032 GEQZTCMVWVDEDF-UHFFFAOYSA-N 103.508 0.665 50 50 ACGA CCOCC(=O)N(N)CC1CCC1 757131893 NWHCHWCGDICOEK-UHFFFAOYSA-N 186.255 0.525 50 50 ACGA O[C@H](CCl)CBr 2037746 TVDCSPSRGSLXOV-VKHMYHEASA-N 173.437 0.981 50 50 ACGA CCc1cc(B(O)O)ccc1Cl 169746596 ZFQZOBHIZWUBEZ-UHFFFAOYSA-N 184.431 0.582 50 50 ACGA in-vitro O=C=NCCCCN=C=O 1603442 OVBFMUAFNIIQAL-UHFFFAOYSA-N 140.142 0.438 50 50 ACGA in-vitro NC(=O)N/N=C/c1ccccc1O 223094 IZXDQSKCOWSUOG-BJMVGYQFSA-N 179.179 0.394 50 50 ACGA O=C=NC[C@@H]1CCCO1 11802363 PCPJIDFJVZWDOX-LURJTMIESA-N 127.143 0.501 50 50 ACGA CS(=O)(=O)CCC(=O)CCl 1536183912 QSPHFVFQULHWMW-UHFFFAOYSA-N 184.644 0.229 50 50 ACGA O=C(C(Cl)Cl)N1CCOCC1 1684089 SPDHGKQMFGYCHN-UHFFFAOYSA-N 198.049 0.649 50 50 ACGA CSc1ccccc1B(O)O 169743387 QXBWTYBCNFKURT-UHFFFAOYSA-N 168.026 0.088 50 50 ACGA in-vitro CC(=O)NNC(=O)c1cccc(C)c1 143039 LFSILSVLVJVGFV-UHFFFAOYSA-N 192.218 0.776 50 50 ACGA C[C@H](NC(=O)NN)c1ccccc1 36948147 MSMMEEDQQUXWCQ-ZETCQYMHSA-N 179.223 0.921 50 50 ACGA C[C@H]1CN(C)[C@H](C)C[C@@]1(O)C#N 100861628 JYZKVJLQFGCECG-DJLDLDEBSA-N 168.240 0.601 50 50 ACGA in-vitro CNNC(=O)OC(C)(C)C 34626117 UZRUVUYVHGPEAP-UHFFFAOYSA-N 146.190 0.646 50 50 ACGA in-vitro COCCCl 2031633 XTIGGAHUZJWQMD-UHFFFAOYSA-N 94.541 0.872 50 50 ACGA O=c1cc(CCl)nc[nH]1 39052689 OPIOOXDZVDOAAZ-UHFFFAOYSA-N 144.561 0.509 50 50 ACGA OB(O)/C=C/c1cc(F)cc(F)c1 169977594 KEDVTCOCHDTFRT-OWOJBTEDSA-N 183.950 0.990 50 50 ACGA O=S1(=O)CC(Br)C1 1731945 XSEKMFLQQOEVTJ-UHFFFAOYSA-N 185.042 0.178 50 50 ACGA in-vitro OB(O)c1cc(F)cc(F)c1Cl 169995005 YDJPWIRZACQGEP-UHFFFAOYSA-N 192.357 0.298 50 50 ACGA Cc1cccc(O[C@H](C)C(=O)NN)c1 2383133 RUOZUZXHZLLHPF-MRVPVSSYSA-N 194.234 0.752 50 50 ACGA in-vitro O[C@H](CCl)[C@H](O)CCl 2510085 SAUBRJOIKMVSRU-QWWZWVQMSA-N 159.012 0.186 50 50 ACGA in-vitro CSc1ccc(B(O)O)cc1 169743201 IVUHTLFKBDDICS-UHFFFAOYSA-N 168.026 0.088 50 50 ACGA in-vitro COC(=O)[C@@H]1CC[C@H]1C(=O)CCl 2325904051 MOGWJVBYTJWTFM-PHDIDXHHSA-N 190.626 0.994 50 50 ACGA COC(=O)[C@H](C#N)O[Si](C)(C)C 196333660 DJIJPTBYOASKDU-LURJTMIESA-N 187.271 0.903 50 50 ACGA in-vitro Cn1cncc1C(=O)Cl 2509362 OSRNDBCXJHFFLC-UHFFFAOYSA-N 144.561 0.799 50 50 ACGA in-vitro CC(C)(C)C(=O)NN 2574347 OARJXUPBZNUYBG-UHFFFAOYSA-N 116.164 0.022 50 50 ACGA in-vitro O=C=NC1CCC1 19477720 JDUJUPAGCBYIRR-UHFFFAOYSA-N 97.117 0.875 50 50 ACGA in-vitro C#CC[C@@H]1CC(=O)OC1=O 100544520 QLTWDRPUZFBSDC-RXMQYKEDSA-N 138.122 0.099 50 50 ACGA in-vitro C=CCc1cccc(B(O)O)c1 169988629 OIEQOOFGYOZQHZ-UHFFFAOYSA-N 161.997 0.095 50 50 ACGA CC(=O)c1cc(B(O)O)ccc1Cl 170002608 IGOLVESNJWNACO-UHFFFAOYSA-N 198.414 0.222 50 50 ACGA CC(C)Cc1ccc(B(O)O)c(F)c1 238171517 NTHBRMLLSUXEEG-UHFFFAOYSA-N 196.030 0.704 50 50 ACGA O[C@@H](CCl)[C@@H](O)CCl 5131835 SAUBRJOIKMVSRU-IMJSIDKUSA-N 159.012 0.186 50 50 ACGA in-vitro O=C1OC(=O)[C@@H]2[C@H](Cl)[C@@H](Cl)[C@@H]12 101370323 SVWYPMPUZSZFRO-LDHWTSMMSA-N 195.001 0.531 50 50 ACGA CC(C)C(=O)N(N)c1ccccn1 757129656 YEUQQCMWNFVMRR-UHFFFAOYSA-N 179.223 0.944 50 50 ACGA CC(=O)N/N=C/c1ccccc1O 174964 WMMNITTVJHGRNL-UXBLZVDNSA-N 178.191 0.862 50 50 ACGA BrC[C@H]1CO1 1596385 GKIPXFAANLTWBM-VKHMYHEASA-N 136.976 0.780 50 50 ACGA in-vitro CNNC(=O)c1ccccc1O 34491372 BRNKSGIRDPSRAG-UHFFFAOYSA-N 166.180 0.256 50 50 ACGA OB(O)c1cccc(-c2cccnc2)c1 169744733 SSVQXHWHJJERAP-UHFFFAOYSA-N 199.018 0.428 50 50 ACGA O=C1OC(=O)[C@H]2[C@H]1[C@H]1C=C[C@H]2C12CC2 100163896 KPGJKBBMROFHML-WCTZXXKLSA-N 190.198 0.898 50 50 ACGA Br[C@H]1COCC[C@@]12CO2 1535643329 HHHTYMKXQRGTOC-NTSWFWBYSA-N 193.040 0.939 50 50 ACGA CC(C)(C)B(O)O 169842349 FTPPXKVBGUSCNZ-UHFFFAOYSA-N 101.942 0.259 50 50 ACGA in-vitro CC(C)CN=C=O 1850893 NNZVKALEGZPYKL-UHFFFAOYSA-N 99.133 0.978 50 50 ACGA in-vitro C[C@H](O)CBr 3861677 WEGOLYBUWCMMMY-VKHMYHEASA-N 138.992 0.762 50 50 ACGA in-vivo N#C[C@@H](O)c1ccc(O)cc1 8100932 HOOOPXDSCKBLFG-MRVPVSSYSA-N 149.149 0.949 50 50 ACGA in-man Cc1ccc(C(=O)NN)cc1O 22161435 DKWHASKCFWELRN-UHFFFAOYSA-N 166.180 0.304 50 50 ACGA CCOC[C@@H](C)N=C=O 62822251 PDJILRMQCFYZBA-ZCFIWIBFSA-N 129.159 0.747 50 50 ACGA O=C1OC(=O)[C@@]23[C@H]4C5CC([C@@H]6[C@H]5[C@]162)[C@H]43 252427939 LDFCPMLSHWZWHS-QQTJVFKZSA-N 188.182 0.198 50 50 ACGA O=C(CCCl)NC1CC1 5382454 PEEXBRLULOKKGS-UHFFFAOYSA-N 147.605 0.894 50 50 ACGA in-vitro O=C1OC(=O)c2c(O)cccc21 8100889 CCTOEAMRIIXGDJ-UHFFFAOYSA-N 164.116 0.703 50 50 ACGA in-vitro CC[C@@H](C)c1ccc(B(O)O)cc1 169744001 CHSPURIZKQPJNH-MRVPVSSYSA-N 178.040 0.880 50 50 ACGA in-vitro NNC(=O)C1CCCC1 1677681 IXEIBWLTZYOBPF-UHFFFAOYSA-N 128.175 0.167 50 50 ACGA in-vitro O=C1CCCC(=O)O1 72399896 VANNPISTIUFMLH-UHFFFAOYSA-N 114.100 0.240 50 50 ACGA in-vitro CSc1cc(F)ccc1B(O)O 169934735 BAPCTRHEOVOYPW-UHFFFAOYSA-N 186.016 0.227 50 50 ACGA O=C(O)[C@H](F)Cl 4934608 JBIKZDFUXGHTHD-SFOWXEAESA-N 112.487 0.605 50 50 ACGA in-vitro C[C@@]12CC[C@@H](O1)[C@H]1C(=O)OC(=O)[C@@H]12 100494345 YRQMPRLOYHEHBF-JEMLMZEFSA-N 182.175 0.254 50 50 ACGA Cc1c(B(O)O)ccc(Cl)c1F 238481348 ORAXKVCIMFUTNO-UHFFFAOYSA-N 188.394 0.467 50 50 ACGA CCC(=O)N(N)c1ncccn1 757125825 BMUWFWPPXUIXOH-UHFFFAOYSA-N 166.184 0.093 50 50 ACGA COC(=O)[C@H]1CCN(C(=O)Cl)O1 1536219850 SEFVLLVEGCPLCE-SCSAIBSYSA-N 193.586 0.524 50 50 ACGA O=C1OOC(=O)C12CCC2 100403764 BSQQTMMSCSSKST-UHFFFAOYSA-N 142.110 0.172 50 50 ACGA in-vitro CCOCc1ccc(F)cc1B(O)O 203174654 JTZHMOXBRKIIQG-UHFFFAOYSA-N 198.002 0.042 50 50 ACGA NC(=O)N/N=C1/C=CC=C[C@@H]2C[C@H]12 43761545 IFLXIHYYFFOGRQ-PMSDMECNSA-N 177.207 0.773 50 50 ACGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2CC1 100109022 YIHKILSPWGDWPR-XAMCCFCMSA-N 178.187 0.898 50 50 ACGA in-vitro Cn1c(C(=O)NN)cc2ccccc21 997215 UCYCLKHTMATMLF-UHFFFAOYSA-N 189.218 0.782 50 50 ACGA COCCCN=C=O 11802362 IQOIAHPAAZJVOX-UHFFFAOYSA-N 115.132 0.359 50 50 ACGA in-vitro N#C/C=C/c1ccc(B(O)O)cc1F 170001040 JJHNZZRNBWVCNV-OWOJBTEDSA-N 190.970 0.042 50 50 ACGA COC(=O)N(N)CC(F)(F)F 757125752 BCISFXXVGHADKU-UHFFFAOYSA-N 172.106 0.491 50 50 ACGA NCCSSCCN 1671299 APQPRKLAWCIJEK-UHFFFAOYSA-N 152.288 0.285 50 50 ACGA in-vivo Cc1c(F)ccc(B(O)O)c1C 169903879 JACGHVGDEQRIFL-UHFFFAOYSA-N 167.976 0.122 50 50 ACGA C[Si](C)(C)OS(C)(=O)=O 169745034 BCHASIUOFGDRIO-UHFFFAOYSA-N 168.290 0.798 50 50 ACGA CC(C)Oc1ccc(F)c(B(O)O)c1 169748022 IEBGLDYEUYTUMZ-UHFFFAOYSA-N 198.002 0.293 50 50 ACGA Cc1ccc2ncccc2c1B(O)O 169794316 CNTWHKAWJCAEIJ-UHFFFAOYSA-N 187.007 0.223 50 50 ACGA in-vitro CC(=O)CCl 1661230 BULLHNJGPPOUOX-UHFFFAOYSA-N 92.525 0.814 50 50 ACGA in-vitro O=C=NCC1CC1 49730644 GVCHRKKMNKWGDS-UHFFFAOYSA-N 97.117 0.732 50 50 ACGA in-vitro CCN(N)C(=O)N(CC)CC 148811813 SYQFIDZJMPVRFH-UHFFFAOYSA-N 159.233 0.644 50 50 ACGA OB(O)c1c(Cl)cccc1Cl 169743236 CXDPUSMFYPQXCV-UHFFFAOYSA-N 190.822 0.673 50 50 ACGA in-vitro Cn1cc(C(=O)NN)c2ccccc21 335855 KMYZDVOJRUTMEA-UHFFFAOYSA-N 189.218 0.782 50 50 ACGA in-vitro CCOC(=O)/C(CCl)=N/O 212134658 CERHYVIYHGEZKF-QPJJXVBHSA-N 165.576 0.619 50 50 ACGA COC(=O)[C@H](N=C=O)C(C)C 4976082 JCVZXXSBCISMLJ-ZCFIWIBFSA-N 157.169 0.520 50 50 ACGA CCOC(=O)C(=O)[C@@H](C)Cl 205003569 WHHFJPUOJRVNFU-SCSAIBSYSA-N 164.588 0.746 50 50 ACGA CN(C)C=CC=O 1857524318 RRLMPLDPCKRASL-UHFFFAOYSA-N 99.133 0.261 50 50 ACGA O=C(CCl)Nc1ncccn1 43483 JHKOSWFVNOWHEU-UHFFFAOYSA-N 171.587 0.654 50 50 ACGA in-vitro BrC[C@@H]1CNCCO1 165781389 ZPSJVTJYARPZFC-RXMQYKEDSA-N 180.045 0.370 50 50 ACGA CCCc1ccc(B(O)O)cc1 169743395 WLCGYIWOKVWFLB-UHFFFAOYSA-N 164.013 0.319 50 50 ACGA in-vitro O=C1C[C@@H](CBr)CN1 164839211 UQOBYBZHCXBRGL-BYPYZUCNSA-N 178.029 0.517 50 50 ACGA CCCc1ccccc1B(O)O 196362326 OUZANECXUCYGEG-UHFFFAOYSA-N 164.013 0.319 50 50 ACGA in-vitro NNC(=O)c1cc(F)c(F)cc1F 238559110 UWMBWCNRWYYLGJ-UHFFFAOYSA-N 190.124 0.707 50 50 ACGA COCC(=O)N(N)CC1CCC1 757131247 FYOFANIPOYKSFG-UHFFFAOYSA-N 172.228 0.135 50 50 ACGA C=C(C)C(=O)N(N)c1ncccn1 757129743 ZYYRRHAHLUGCFS-UHFFFAOYSA-N 178.195 0.259 50 50 ACGA CCS(=O)(=O)CCCl 1603450 SSZGZNMFUXOAFG-UHFFFAOYSA-N 156.634 0.660 50 50 ACGA in-vitro O=[N+]([O-])c1cnn(CCl)c1 2569105 VOMLVVLUSBRAEF-UHFFFAOYSA-N 161.548 0.988 50 50 ACGA in-vitro O=C(CCl)N1CCCC1 3289322 AAOSLLBWWRKJIR-UHFFFAOYSA-N 147.605 0.848 50 50 ACGA in-vitro COCCl 70667158 XJUZRXYOEPSWMB-UHFFFAOYSA-N 80.514 0.829 50 50 ACGA endogenous,in-man C[C@@H]1C[C@@](O)(C#N)[C@H](C)CN1C 59873999 JYZKVJLQFGCECG-IWSPIJDZSA-N 168.240 0.601 50 50 ACGA in-vitro Cc1ccc2nc(B(O)O)ccc2c1 170001118 DFLHRQKMYFSYSZ-UHFFFAOYSA-N 187.007 0.223 50 50 ACGA NNC(=O)c1cc(-c2ccco2)n[nH]1 13143681 WDPPKVUTTXCXMM-UHFFFAOYSA-N 192.178 0.273 50 50 ACGA in-vitro Cc1ccccc1N[C@H](C)C(=O)NN 26475916 XTHHTHBCPUPESA-MRVPVSSYSA-N 193.250 0.785 50 50 ACGA COc1cccc(CCC(=O)NN)c1 32919577 QKYJPNFDEZUAGS-UHFFFAOYSA-N 194.234 0.618 50 50 ACGA C[C@@H]1CC(=O)OC1=O 100025329 DFATXMYLKPCSCX-GSVOUGTGSA-N 114.100 0.096 50 50 ACGA in-vitro O=C(CCl)N1CCC1 3423870 DLDWKQVABUJWBD-UHFFFAOYSA-N 133.578 0.458 50 50 ACGA in-vitro C[C@@H](O)CBr 3861678 WEGOLYBUWCMMMY-GSVOUGTGSA-N 138.992 0.762 50 50 ACGA in-vitro NNC(=O)CC[C@H]1CCCOC1 307760974 XRJUOQYBRHHZBQ-SSDOTTSWSA-N 172.228 0.183 50 50 ACGA C=CCOC[C@H](O)CCl 2162137 DLVRPVNJFWEIFV-ZCFIWIBFSA-N 150.605 0.789 50 50 ACGA Cc1ccc(C(=O)NN)cc1F 22167381 IJKHDRBSWLCCDJ-UHFFFAOYSA-N 168.171 0.738 50 50 ACGA in-vitro Br[C@@H]1COCC[C@@]12CO2 1535643330 HHHTYMKXQRGTOC-PHDIDXHHSA-N 193.040 0.939 50 50 ACGA C[N+](C)(CBr)CCO 13822353 QUQWOKSZLAMGFA-UHFFFAOYSA-N 183.069 0.408 50 50 ACGA CC1C(C#N)=C(N)SC(N)=C1C#N 19534944 SEUQKVNAVOJNKZ-UHFFFAOYSA-N 192.247 0.757 50 50 ACGA Cc1ccc(C(=O)NN)cc1C 2379764 HLRJRJKXLKZPKM-UHFFFAOYSA-N 164.208 0.907 50 50 ACGA in-vitro CC(C)(CBr)C(N)=O 88189970 BCJQIADXUNOLNS-UHFFFAOYSA-N 180.045 0.893 50 50 ACGA NNC(=O)Cc1ccccc1Cl 103525 WSKCRBSHOIAZBQ-UHFFFAOYSA-N 184.626 0.872 50 50 ACGA in-vitro Cc1ccc(/C=N/NC(N)=O)cc1 1597604 UIHYVCKNLUAASL-IZZDOVSWSA-N 177.207 0.997 50 50 ACGA COc1ccc(OCC(=O)NN)cc1 61832 FHYDKLWLDUMAIU-UHFFFAOYSA-N 196.206 0.064 50 50 ACGA in-vitro O=C1OC(=O)[C@H]2CC[C@H]12 8101032 NMNZZIMBGSGRPN-IMJSIDKUSA-N 126.111 0.096 50 50 ACGA in-vitro Cc1cc(B(O)O)c(Cl)cc1F 211337015 IZSSLSDISWWLLH-UHFFFAOYSA-N 188.394 0.467 50 50 ACGA Cc1cc(Cl)c(B(O)O)cc1C 228053044 IZISMMRQFIVXCU-UHFFFAOYSA-N 184.431 0.637 50 50 ACGA C[C@@H](Cl)C(=O)N1CCC[C@H](N)C1 675059969 OSYDESXIIAJQNB-RQJHMYQMSA-N 190.674 0.563 50 50 ACGA CC(C)(C)NS(=O)(=O)CCl 1722016 VZAHIKRUKJZYOE-UHFFFAOYSA-N 185.676 0.901 50 50 ACGA in-vitro CCc1cc(C(=O)NN)cs1 2559443 UWIQQMWVFFEKHC-UHFFFAOYSA-N 170.237 0.914 50 50 ACGA in-vitro O=S1(=O)CC[C@@H](CCl)C1 3078129 UCPALMJXNYQPBD-YFKPBYRVSA-N 168.645 0.660 50 50 ACGA CC(C)[C@H](O)C(C)(C)[C@@H](O)C#N 100435782 QRIVFPKZTKGPJA-YUMQZZPRSA-N 171.240 0.914 50 50 ACGA Cc1cc2c(B(O)O)cccc2[nH]1 204469041 KXGGOWBPTLOYNR-UHFFFAOYSA-N 174.996 0.156 50 50 ACGA OB(O)c1ccccc1OCCCF 198065351 YSTHFPLODUPIGB-UHFFFAOYSA-N 198.002 0.105 50 50 ACGA CNC(=O)c1noc(CCl)n1 33414684 WUWBDOPJHVZPAA-UHFFFAOYSA-N 175.575 0.168 50 50 ACGA in-vitro C[C@H](O)[C@H](Cl)C(=O)O 62715390 QTQIANGQRHQQJU-HRFVKAFMSA-N 138.550 0.059 50 50 ACGA O=C1OC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@H]12 97950164 YIHKILSPWGDWPR-KVFPUHGPSA-N 178.187 0.898 50 50 ACGA N#Cc1c(Cl)ccc(B(O)O)c1F 307290425 AUFZQVRVXHUHBP-UHFFFAOYSA-N 199.377 0.031 50 50 ACGA CC(=O)NNCC(F)(F)F 167041002 WNXRQSUHMGEPIU-UHFFFAOYSA-N 156.107 0.189 50 50 ACGA in-vitro CC(=O)COC(=O)[C@H](C)Cl 1857796593 OMCNKDOOFAAZQS-YFKPBYRVSA-N 164.588 0.746 50 50 ACGA CCOC(=O)C(=O)Cl 1639557 OWZFULPEVHKEKS-UHFFFAOYSA-N 136.534 0.315 50 50 ACGA O=S1(=O)CC[C@@H](Br)C1 3865981 IPOKQKBJDASROB-SCSAIBSYSA-N 199.069 0.568 50 50 ACGA endogenous,in-man CCOC[C@H](C)N=C=O 62822252 PDJILRMQCFYZBA-LURJTMIESA-N 129.159 0.747 50 50 ACGA CC[C@H](C)c1ccc(B(O)O)cc1 169744002 CHSPURIZKQPJNH-QMMMGPOBSA-N 178.040 0.880 50 50 ACGA in-vitro Cc1cccc2c(B(O)O)ccnc12 170001052 AXGYGHYOJCQWOR-UHFFFAOYSA-N 187.007 0.223 50 50 ACGA BrCCN1CCOCC1 22013449 CVMXEDZZSWLXPB-UHFFFAOYSA-N 194.072 0.714 50 50 ACGA in-vitro CS(=O)(=O)CCl 40163716 MZMGJAFJUYKKLI-UHFFFAOYSA-N 128.580 0.227 50 50 ACGA NN(C(=O)C1CCC1)C1CC1 757132792 WLRGYUQUPNDMEY-UHFFFAOYSA-N 154.213 0.651 50 50 ACGA O=C(O)CSSCC(=O)O 1684960 DLLMHEDYJQACRM-UHFFFAOYSA-N 182.222 0.537 50 50 ACGA in-vitro O=Cc1cnn(CCCl)c1 12428313 KSLJPAOCJHQWEZ-UHFFFAOYSA-N 158.588 0.934 50 50 ACGA in-vitro BrCCN1CCNCC1 20160708 YSSAGHGQQLCGFI-UHFFFAOYSA-N 193.088 0.287 50 50 ACGA in-vitro N#C/C(N)=C(/C#N)N=Cc1ccco1 252463699 TUDIERUENMEXLK-BQMSPQECSA-N 186.174 0.916 50 50 ACGA O=C(CCl)N1CCn2cncc2C1 1875377548 GZPGDYGYXLZNOH-UHFFFAOYSA-N 199.641 0.464 50 50 ACGA CON(C)C(=O)CCl 2504671 SCOJKGRNQDKFRP-UHFFFAOYSA-N 137.566 0.245 50 50 ACGA in-vitro CN1C[C@H](C(=O)Cl)CC1=O 65336789 HPNQOUDCVFXCEP-SCSAIBSYSA-N 161.588 0.230 50 50 ACGA C[C@H]1CC(=O)OC1=O 100025330 DFATXMYLKPCSCX-VKHMYHEASA-N 114.100 0.096 50 50 ACGA in-vitro Cc1c(O)ccc(C(=O)NN)c1O 34928957 OPYCGTBPNSTUSS-UHFFFAOYSA-N 182.179 0.010 50 50 ACGA in-vitro COc1ccc2cc(B(O)O)oc2c1 169747523 MPLLPTYEVKJTJR-UHFFFAOYSA-N 191.979 0.121 50 50 ACGA in-vitro O=C1OC(=O)[C@@H]2CC[C@H]12 8101030 NMNZZIMBGSGRPN-ZXZARUISSA-N 126.111 0.096 50 50 ACGA in-vitro NC(=S)NNC(=O)c1ccccc1 13482826 OWKWAVBMKKZMHE-UHFFFAOYSA-N 195.247 0.165 50 50 ACGA CSc1cc(B(O)O)ccc1F 169995365 KCPJDAWNJZFHKI-UHFFFAOYSA-N 186.016 0.227 50 50 ACGA in-vitro ClC[C@@H]1CCCN1 14987770 KFINMADAIKCLDI-YFKPBYRVSA-N 119.595 0.977 50 50 ACGA CSc1ccc(B(O)O)cc1F 169748101 CNDNUZUKUGDDGL-UHFFFAOYSA-N 186.016 0.227 50 50 ACGA in-vitro CN1CC[C@H](C(=O)Cl)CC1=O 217040754 KTLMEOQOSAKIER-YFKPBYRVSA-N 175.615 0.620 50 50 ACGA C=CC=O 897143 HGINCPLSRVDWNT-UHFFFAOYSA-N 56.064 0.371 50 50 ACGA metabolite,world OCCCBr 2031639 RQFUZUMFPRMVDX-UHFFFAOYSA-N 138.992 0.764 50 50 ACGA in-vitro CCSc1ccccc1B(O)O 169743994 SCGSNVLNGRYSAA-UHFFFAOYSA-N 182.053 0.478 50 50 ACGA in-vitro Nc1ccc2ccc(B(O)O)cc2c1 196946718 SQGYMYJXNBMXKB-UHFFFAOYSA-N 187.007 0.102 50 50 ACGA CCc1nc(C)c(C(=O)NN)s1 2511152 MUHICXMVPQFLHG-UHFFFAOYSA-N 185.252 0.617 50 50 ACGA Cc1ccc(C(=O)NN)o1 5618446 GKMDPPXBCLAACF-UHFFFAOYSA-N 140.142 0.192 50 50 ACGA in-vitro C=C(C)C(=O)OC[C@@H](O)CCl 4977079 DDKMFQGAZVMXQV-LURJTMIESA-N 178.615 0.705 50 50 ACGA in-vitro O=C(CCl)Nc1nncs1 1869581 ZQMRUOLNPQGIHY-UHFFFAOYSA-N 177.616 0.715 50 50 ACGA in-vitro CSc1ccc(C)cc1B(O)O 169988673 QNLWXIOFGZGNAJ-UHFFFAOYSA-N 182.053 0.397 50 50 ACGA OB(O)c1cccc(-c2cnco2)c1 170001371 SOFRWUFTUVHYQR-UHFFFAOYSA-N 188.979 0.021 50 50 ACGA CCOc1ccc(C)c(B(O)O)c1 238277525 MVCHKBZNYZCGDE-UHFFFAOYSA-N 180.012 0.074 50 50 ACGA in-vitro OB(O)c1ccc(OCC2CC2)cc1 169748164 AYJVDOMUBHORKK-UHFFFAOYSA-N 192.023 0.155 50 50 ACGA in-vitro CCN(N)C(=O)CC(C)C 201443356 WFUGYUANBWCJTP-UHFFFAOYSA-N 144.218 0.755 50 50 ACGA O=C1C[C@H](CBr)CN1 164839095 UQOBYBZHCXBRGL-SCSAIBSYSA-N 178.029 0.517 50 50 ACGA CC(C)COc1cccc(B(O)O)c1 169856064 TZOSYEUNKIDTBY-UHFFFAOYSA-N 194.039 0.401 50 50 ACGA in-vitro CC(=O)N1CCCC1=C(C#N)C#N 263619771 WNNUKXPGXDSOOH-UHFFFAOYSA-N 175.191 0.930 50 50 ACGA O=C1OC(=O)[C@@H]2[C@@H](Cl)[C@@H](Cl)[C@@H]12 100353764 SVWYPMPUZSZFRO-LLEIAEIESA-N 195.001 0.531 50 50 ACGA O=S1(=O)C[C@H](Cl)[C@@H](Cl)C1 980189 JCUQWSIALJCIEE-IMJSIDKUSA-N 189.063 0.630 50 50 ACGA in-vitro CC(C)[C@@H](O)C(C)(C)[C@@H](O)C#N 100435783 QRIVFPKZTKGPJA-JGVFFNPUSA-N 171.240 0.914 50 50 ACGA OB(O)c1cccc(Cl)c1Cl 169743303 TYIKXPOMOYDGCS-UHFFFAOYSA-N 190.822 0.673 50 50 ACGA in-vitro Cc1cc(Cl)cc(B(O)O)c1 169745685 QXHLBINWDJITMJ-UHFFFAOYSA-N 170.404 0.328 50 50 ACGA in-vitro CCCSc1ccc(B(O)O)cc1 169844675 MAQOXROSRCOBHR-UHFFFAOYSA-N 196.080 0.869 50 50 ACGA in-vitro ClC[C@H]1CNCCO1 38415706 DFFKLRFMZMGFBM-YFKPBYRVSA-N 135.594 0.214 50 50 ACGA in-vitro CCC(=O)OC(=O)CC 45331639 WYVAMUWZEOHJOQ-UHFFFAOYSA-N 130.143 0.876 50 50 ACGA in-vitro CC(C)CB(O)O 169743280 ZAZPDOYUCVFPOI-UHFFFAOYSA-N 101.942 0.115 50 50 ACGA Cc1ccc(CC(=O)NN)cc1 583030 WIVOCOQKIVAVRM-UHFFFAOYSA-N 164.208 0.527 50 50 ACGA in-vitro O=C(CF)N[C@@H](O)C(Cl)Cl 2039795 RKMBPARPFMUZSG-BYPYZUCNSA-N 190.001 0.194 50 50 ACGA NNC(=O)Nc1ccccc1O 2798793 JCUWIMNTIFUZSN-UHFFFAOYSA-N 167.168 0.387 50 50 ACGA CC[C@H](C)B(O)O 169747499 MACOIFNUPFKZEI-BYPYZUCNSA-N 101.942 0.259 50 50 ACGA O=C(O)C1(CBr)COC1 261506855 BPGGWEZKGGFKTB-UHFFFAOYSA-N 195.012 0.483 50 50 ACGA O=C(O)CCBr 1641049 DHXNZYCXMFBMHE-UHFFFAOYSA-N 152.975 0.856 50 50 ACGA C[C@H]1CN(C)[C@H](C)C[C@]1(O)C#N 100861626 JYZKVJLQFGCECG-YIZRAAEISA-N 168.240 0.601 50 50 ACGA in-vitro ClC1CNC1 34579042 GAXJNXCLEVZPFX-UHFFFAOYSA-N 91.541 0.197 50 50 ACGA in-vitro O=C(Cl)CC(=O)Cl 100004466 SXYFKXOFMCIXQW-UHFFFAOYSA-N 140.953 0.907 50 50 ACGA in-vitro C[C@@H](Cl)C(=O)NC1=NCCS1 19093289 BBJWWVOKRBBWHW-SCSAIBSYSA-N 192.671 0.833 50 50 ACGA in-vitro OB(O)c1csc2ccccc12 169747768 QVANIYYVZZLQJP-UHFFFAOYSA-N 178.021 0.581 50 50 ACGA COC1(CBr)COC1 952958928 SEJGWHXXSIIURR-UHFFFAOYSA-N 181.029 0.797 50 50 ACGA CC(=O)O[C@@H](C)C(=O)Cl 2516988 ALHZEIINTQJLOT-VKHMYHEASA-N 150.561 0.703 50 50 ACGA in-vitro O=C1OC(=O)c2cc([N+](=O)[O-])ccc21 8585905 MMVIDXVHQANYAE-UHFFFAOYSA-N 193.114 0.905 50 50 ACGA in-vitro NNC(=O)c1cc(-c2cc[nH]c2)n[nH]1 216698449 WAGPYKJHFBTGED-UHFFFAOYSA-N 191.194 0.008 50 50 ACGA CCCn1nc(C(=O)NN)cc1C 217041664 RPMOPJDEWMQPNV-UHFFFAOYSA-N 182.227 0.205 50 50 ACGA CN1CCN(C(=O)Cl)CC1 19702066 FBAIGEMWTOSCRU-UHFFFAOYSA-N 162.620 0.593 50 50 ACGA in-vitro CC(=O)N(N)c1ccccn1 199473231 CYICQHSUOWEYIN-UHFFFAOYSA-N 151.169 0.308 50 50 ACGA O=C(CCl)N1CCCc2n[nH]cc21 1328381306 NMJSFJWYBDKOJM-UHFFFAOYSA-N 199.641 0.928 50 50 ACGA C[C@@H](Sc1ccccn1)C(=O)NN 5739270 ORFJQZUZIUPZSX-ZCFIWIBFSA-N 197.263 0.552 50 50 ACGA O=C(O)COCCBr 88189984 GBPDANKBFPPRCR-UHFFFAOYSA-N 183.001 0.483 50 50 ACGA in-vitro CC(=O)COC(=O)[C@@H](C)Cl 1857796592 OMCNKDOOFAAZQS-RXMQYKEDSA-N 164.588 0.746 50 50 ACGA N#C/C=C(/N)c1ccccn1 12348960 UUIKPAVVDPUTNH-QPJJXVBHSA-N 145.165 0.905 50 50 ACGA in-vitro CC[C@@H](C)c1ccccc1B(O)O 195810220 MPGPVHMCNDIRLK-MRVPVSSYSA-N 178.040 0.880 50 50 ACGA OB(O)c1cscc1Cl 199200686 WITYJCKOWHATGV-UHFFFAOYSA-N 162.406 0.081 50 50 ACGA O=C1CN(c2ccccc2)CC(=O)O1 100160437 WTGUVSDJPJNUEO-UHFFFAOYSA-N 191.186 0.576 50 50 ACGA OB(O)c1cc(Cl)c(Cl)s1 203984942 AXWMFKYWKHCDAM-UHFFFAOYSA-N 196.851 0.735 50 50 ACGA in-vitro Cc1cc(C)cc(OCC(=O)NN)c1 2576167 IXZVORQECBHNJR-UHFFFAOYSA-N 194.234 0.672 50 50 ACGA in-vitro OB(O)c1c(F)ccc(Cl)c1F 169747873 ZSMAOKOKSOKHOU-UHFFFAOYSA-N 192.357 0.298 50 50 ACGA Cn1ccc(C(=O)Cl)n1 6319681 JCZIPPIUHKRMOM-UHFFFAOYSA-N 144.561 0.799 50 50 ACGA in-vitro O=C(CCl)Nc1cnccn1 13323386 FBVYTVCSQYVRES-UHFFFAOYSA-N 171.587 0.654 50 50 ACGA in-vitro CC(C)(C)C(=O)CNC(=O)CCl 39351199 WWHZELYGAZRGKC-UHFFFAOYSA-N 191.658 0.957 50 50 ACGA NNC(=O)c1cccc([N+](=O)[O-])c1 61833 NQEWXLVDAVTOHM-UHFFFAOYSA-N 181.151 0.198 50 50 ACGA in-vitro CC1(C)[C@@H]2C(=O)OC(=O)[C@H]21 100004121 QKAHKEDLPBJLFD-IMJSIDKUSA-N 140.138 0.342 50 50 ACGA biogenic,in-vitro C[C@@]12CC[C@@H](O1)[C@@H]1C(=O)OC(=O)[C@@H]12 216259722 YRQMPRLOYHEHBF-HOCYRETQSA-N 182.175 0.254 50 50 ACGA CCNC(=O)[C@H](C)Cl 5852748 RESXWKTXWDVKIF-BYPYZUCNSA-N 135.594 0.750 50 50 ACGA in-vitro OB(O)c1ccc(SC2CC2)cc1 169844652 APWUGUMSANWOII-UHFFFAOYSA-N 194.064 0.621 50 50 ACGA in-vitro CCO[C@@H](C)c1ccc(B(O)O)cc1 169910749 OUASAVPZGSGDFJ-QMMMGPOBSA-N 194.039 0.464 50 50 ACGA CCOC(=O)CCN=C=O 2555344 XBSGYVHOINMTIM-UHFFFAOYSA-N 143.142 0.275 50 50 ACGA in-vitro Cc1cc(C2CC2)cc(F)c1B(O)O 238518968 YQBYHSSRNWHIKT-UHFFFAOYSA-N 194.014 0.691 50 50 ACGA C[C@@]12C(=O)OC(=O)[C@H]1[C@H]1CC[C@H]2O1 230114879 RJXMWQSSXZMNIT-JEMLMZEFSA-N 182.175 0.254 50 50 ACGA C[C@H](Cl)c1ccc(B(O)O)cc1 1772575828 LAQJSRJJSVCVFU-LURJTMIESA-N 184.431 0.666 50 50 ACGA CC(C)[C@@H](NC(=O)CCl)C(=O)O 1593803 LJRISAYPKJORFZ-ZCFIWIBFSA-N 193.630 0.451 50 50 ACGA in-vitro CN(C)/C=C(\Br)C=O 44559758 ACBSCWFIKSDJLP-HYXAFXHYSA-N 178.029 0.983 50 50 ACGA CCN(N)C(=O)OCC(C)C 757129014 SFNKTTOALQOSBU-UHFFFAOYSA-N 160.217 0.975 50 50 ACGA BrC1COC1 16083105 SZTIZZFKWQWSSP-UHFFFAOYSA-N 136.976 0.780 50 50 ACGA in-vitro O=C(NNc1ccccn1)C1CC1 306745952 CZPZDUNDUYJJHD-UHFFFAOYSA-N 177.207 0.935 50 50 ACGA O=C(O)CCl 3860254 FOCAUTSVDIKZOP-UHFFFAOYSA-N 94.497 0.310 50 50 ACGA endogenous,in-man CCN(C)C(=O)CCl 19092627 YBYWLBWGIPIYIC-UHFFFAOYSA-N 135.594 0.704 50 50 ACGA CCC(CC)CB(O)O 195939377 TYRRNCPGNQLJQH-UHFFFAOYSA-N 129.996 0.895 50 50 ACGA in-vitro COC(=O)C(C)(C)N=C=O 2524695 LHBQMHJYTCLFRO-UHFFFAOYSA-N 143.142 0.274 50 50 ACGA C#CCNC(=O)CCCl 3091475 PGROOLCWTKTSFM-UHFFFAOYSA-N 145.589 0.365 50 50 ACGA C[C@@H](Cl)C(=O)N(C)C 4218320 WDOAUKIEENWZNC-SCSAIBSYSA-N 135.594 0.702 50 50 ACGA O=C1CC[C@H](CCl)O1 5413209 HPLJEKXDAFHJPD-SCSAIBSYSA-N 134.562 0.931 50 50 ACGA in-vitro ClCCN1CCNCC1 19364945 MAIPOMCACBNHEI-UHFFFAOYSA-N 148.637 0.130 50 50 ACGA in-vitro O=[N+]([O-])CBr 100022789 DNPRVXJGNANVCZ-UHFFFAOYSA-N 139.936 0.616 50 50 ACGA NNC(=O)[C@@H]1C[C@H]1c1ccccc1 270479 LVPLGMIOSVEITG-DTWKUNHWSA-N 176.219 0.780 50 50 ACGA in-vitro COC(=O)[C@H](CC(C)C)N=C=O 2556872 UWFLIWPVRTVDNO-ZETCQYMHSA-N 171.196 0.910 50 50 ACGA in-vitro O=C(O)[C@H](F)Br 8698391 ICTXGKNZADORBH-SFOWXEAESA-N 156.938 0.762 50 50 ACGA in-vitro O=C(Cl)c1csnn1 2513224 HSDHDEOGCBGOKV-UHFFFAOYSA-N 148.574 0.917 50 50 ACGA in-vitro N#CC=C1CNC1 104707974 OWMAUILZJRKPBN-UHFFFAOYSA-N 94.117 0.040 50 50 ACGA in-vitro C[C@@H](Cl)C(=O)N[C@@H]1CCCNC1 642886457 SOQVRSCRBCLOAM-RNFRBKRXSA-N 190.674 0.482 50 50 ACGA CC(C)(CCl)S(=O)(=O)O 45069356 RHEZXBUIIQYQFP-UHFFFAOYSA-N 172.633 0.892 50 50 ACGA CC(C)[C@H](O)C(C)(C)[C@H](O)C#N 100435777 QRIVFPKZTKGPJA-SFYZADRCSA-N 171.240 0.914 50 50 ACGA OB(O)c1cccc2ccoc12 169951735 GCDOPNZOLYBYNO-UHFFFAOYSA-N 161.953 0.113 50 50 ACGA in-vitro CCOc1c(C)cccc1B(O)O 230528559 ADTILJSFJHWHES-UHFFFAOYSA-N 180.012 0.074 50 50 ACGA O=c1n(CCCl)nc2ccccn12 34467493 TYQKZFOAABYLAF-UHFFFAOYSA-N 197.625 0.735 50 50 ACGA in-vitro N#CCC(=O)N/N=C/c1cccnc1 255924 BHDFKOGGZICNNJ-KPKJPENVSA-N 188.190 0.445 50 50 ACGA CN1CC[C@H](Br)C1=O 38338618 NFFDSZJZQBYUKM-BYPYZUCNSA-N 178.029 0.612 50 50 ACGA in-vitro Cc1cc(CNC(=O)CCl)[nH]n1 306174692 BYZGHVFIFCQKCA-UHFFFAOYSA-N 187.630 0.573 50 50 ACGA CCOC(=O)[C@@H](Cl)C(C)=O 1718824 RDULEYWUGKOCMR-YFKPBYRVSA-N 164.588 0.746 50 50 ACGA in-vitro COc1cccc(C(=O)NN)c1OC 2564285 BNLLOWWVYZWIGN-UHFFFAOYSA-N 196.206 0.307 50 50 ACGA in-vitro O=C(Cl)[C@@H]1CCOC1 34206581 RVMFDSHMPBPWRK-SCSAIBSYSA-N 134.562 0.788 50 50 ACGA in-vitro O=C1C=C(CBr)CO1 32189416 UGKKGXRKDWIWOD-UHFFFAOYSA-N 176.997 0.865 50 50 ACGA in-vitro C[C@@H](Cl)C(=O)N1CCOCC1 3319054 QAGATHCAVJHHGR-ZCFIWIBFSA-N 177.631 0.473 50 50 ACGA O=[C]OC(=O)Oc1ccc[nH]1 1857790433 LRHIBSMVGBHRIG-UHFFFAOYSA-N 154.101 0.597 50 50 ACGA C/C=C/C(=O)N(N)CCC 757131086 BHRQANKPPBUMKS-HWKANZROSA-N 142.202 0.675 50 50 ACGA CCOC(=O)C(Cl)C(=O)OCC 1757895 WLWCQKMQYZFTDR-UHFFFAOYSA-N 194.614 0.720 50 50 ACGA in-vitro NNC(=O)c1ccsc1 2574348 AMOWAJLALKAYKL-UHFFFAOYSA-N 142.183 0.352 50 50 ACGA in-vitro CCOC(=O)/C(N)=C(\C)SC#N 4531174 APJULYHHESHFBX-WAYWQWQTSA-N 186.236 0.954 50 50 ACGA Cc1cccc2nc(C(=O)NN)cn12 5941783 YZHUOSZIGGMOJL-UHFFFAOYSA-N 190.206 0.246 50 50 ACGA CCC(=O)N(N)CC1CCC1 757131902 PLCKMQWJRWEGQQ-UHFFFAOYSA-N 156.229 0.899 50 50 ACGA CC(=O)NNC(=O)Cc1ccccc1 583990 HBWBNXXSXVMWQE-UHFFFAOYSA-N 192.218 0.396 50 50 ACGA NNC(=O)c1ccccc1 115752 WARCRYXKINZHGQ-UHFFFAOYSA-N 136.154 0.290 50 50 ACGA in-vitro NNC(=O)c1nc2ccccc2s1 1605006 GYADLBSESMQVEF-UHFFFAOYSA-N 193.231 0.900 50 50 ACGA in-vitro COc1cccc(B(O)O)c1C1CC1 238358499 BBCHDTAUHAKYOD-UHFFFAOYSA-N 192.023 0.252 50 50 ACGA COc1cccc(OCC(=O)NN)c1 151415 QGULAZOKPKAIRW-UHFFFAOYSA-N 196.206 0.064 50 50 ACGA in-vitro O=C1OC(=O)[C@H]2CCC[C@H]12 100019262 NMSRALOLNIBERV-WHFBIAKZSA-N 140.138 0.486 50 50 ACGA in-vitro Cc1nonc1CNC(=O)CCl 306505547 TZJHGLGESFVYJO-UHFFFAOYSA-N 189.602 0.233 50 50 ACGA OB(O)c1cc2c(F)cccc2o1 306854481 ANIKDESUQGWETI-UHFFFAOYSA-N 179.943 0.252 50 50 ACGA in-vitro COC(=O)CI 14556339 YDGMIJCIBXSCQR-UHFFFAOYSA-N 199.975 0.594 50 50 ACGA C[C@]12C(=O)OC(=O)[C@@H]1[C@H]1CC[C@H]2O1 245228338 RJXMWQSSXZMNIT-NDDNGWRZSA-N 182.175 0.254 50 50 ACGA CCNC(=O)CCCl 5709006 HGHIRFMAVFBVDI-UHFFFAOYSA-N 135.594 0.751 50 50 ACGA in-vitro Cc1ccc2ncc(B(O)O)cc2c1 169993787 YDBDSKYPNQEAIU-UHFFFAOYSA-N 187.007 0.223 50 50 ACGA in-vitro N#C[C@@H]1CCCN1C(=O)CCl 16697477 YCWRPKBYQZOLCD-LURJTMIESA-N 172.615 0.740 50 50 ACGA in-vitro OCC1CC(Cl)C1 34161138 YETIMGFGOCVNQL-UHFFFAOYSA-N 120.579 0.996 50 50 ACGA in-vitro Cc1ccc(B(O)O)c(C)c1Cl 642814701 RZWIRIWFGDHDJC-UHFFFAOYSA-N 184.431 0.637 50 50 ACGA O=C(O)[C@H](Cl)CCl 1690276 GKFWNPPZHDYVLI-UWTATZPHSA-N 142.969 0.917 50 50 ACGA in-vitro Cc1c(C(=O)NN)cccc1[N+](=O)[O-] 2564280 QWMRBDIVNHJWAU-UHFFFAOYSA-N 195.178 0.507 50 50 ACGA in-vitro C=CCNC(=O)[C@H](C)Cl 12504900 IGQVZORBBWSCKH-YFKPBYRVSA-N 147.605 0.916 50 50 ACGA in-vitro O=C1CCCCC(=O)O1 85866182 JPSKCQCQZUGWNM-UHFFFAOYSA-N 128.127 0.630 50 50 ACGA endogenous,in-man O=S(=O)(F)CC[C@H]1CO1 144782298 FGYRHYUVGSZLOI-BYPYZUCNSA-N 154.162 0.075 50 50 ACGA C/C(=N\NC(N)=O)C1(O)CCCCC1 12343164 NCZLSGOEYFOZDI-YRNVUSSQSA-N 199.254 0.726 50 50 ACGA CCOc1ccc(B(O)O)c(CC)c1 199035216 DTRDYJDXVXZJOL-UHFFFAOYSA-N 194.039 0.328 50 50 ACGA OB(O)c1c(F)ccc2ccccc12 238613280 JYCSKXXPNOBHFT-UHFFFAOYSA-N 189.982 0.659 50 50 ACGA O[C@@H]1CSSC[C@H]1O 895503 YPGMOWHXEQDBBV-QWWZWVQMSA-N 152.240 0.103 50 50 ACGA in-vivo CC[C@H](Oc1ccccc1)C(=O)NN 5909208 XENRMFJZHMCGCM-VIFPVBQESA-N 194.234 0.834 50 50 ACGA COC(=O)CC[C@H]1C[C@@H](Cl)NO1 252491013 LIDQNNAKNZIQBC-WDSKDSINSA-N 193.630 0.798 50 50 ACGA CC(=NNC(N)=O)c1ccccc1O 254821521 SLSXRIZAOSGASD-UHFFFAOYSA-N 193.206 0.785 50 50 ACGA CN(C)P(=O)(N(C)C)N(C)C 38141467 GNOIPBMMFNIUFM-UHFFFAOYSA-N 179.204 0.779 50 50 ACGA in-vitro O=C=N[C@H]1CC[C@@H](N=C=O)CC1 114140361 CDMDQYCEEKCBGR-ZKCHVHJHSA-N 166.180 0.969 50 50 ACGA OB(O)c1cc(Cl)ccc1F 169745119 GGTUVWGMCFXUAS-UHFFFAOYSA-N 174.367 0.159 50 50 ACGA OB(O)c1ccc(C2CC2)cc1F 169806896 HZSYHXSERFSUAI-UHFFFAOYSA-N 179.987 0.383 50 50 ACGA C[C@H]1C[C@H](C)C(=O)OC1=O 100786641 SIFQWEJOHACJOL-WHFBIAKZSA-N 142.154 0.732 50 50 ACGA CCC(CC)(N=C=O)C(=O)O 757188820 PQLGIKMBKMDBBS-UHFFFAOYSA-N 157.169 0.966 50 50 ACGA O=C(CCl)NCC(F)(F)F 3252688 IRIXZMVHMMALGW-UHFFFAOYSA-N 175.537 0.904 50 50 ACGA in-vitro C[N+](C)(C)CCCl 1473469 JUZXDNPBRPUIOR-UHFFFAOYSA-N 122.619 0.931 50 50 ACGA in-vivo COCc1nc(CCl)no1 19092519 CRNLTGYOWHROHQ-UHFFFAOYSA-N 162.576 0.955 50 50 ACGA in-vitro C=CC(=O)OCCN=C=O 33505929 DPNXHTDWGGVXID-UHFFFAOYSA-N 141.126 0.051 50 50 ACGA in-vitro O=C=NCCCCl 2539356 RQAVSDINDRNIKL-UHFFFAOYSA-N 119.551 0.951 50 50 ACGA in-vitro CCOCC(=O)N(N)C(C)(C)C 757127171 JVFUGRNATVWWGU-UHFFFAOYSA-N 174.244 0.524 50 50 ACGA OB(O)c1ccc(Cl)cc1 169743195 CAYQIZIAYYNFCS-UHFFFAOYSA-N 156.377 0.020 50 50 ACGA in-vitro NNC(=O)c1cc(Cl)ccn1 1728945 JORBLRWFTPDRLZ-UHFFFAOYSA-N 171.587 0.339 50 50 ACGA in-vitro C[C@H](Cl)C(=O)N1CCO[C@@H]2C[C@@H]21 1875376030 MGLJZGAWPYRYBA-LYFYHCNISA-N 189.642 0.613 50 50 ACGA OCCCCl 1690062 LAMUXTNQCICZQX-UHFFFAOYSA-N 94.541 0.608 50 50 ACGA in-vitro COc1ccc(C(=O)N(C)N)cc1 38880544 SNAVXKCUXRIXIE-UHFFFAOYSA-N 180.207 0.641 50 50 ACGA Cc1ccn2cc(C(=O)NN)nc2c1 1394823 AXLXQHVTMOSGJY-UHFFFAOYSA-N 190.206 0.246 50 50 ACGA in-vitro CC1(CCl)OCCO1 1644721 VBGCEKQIYVBVEH-UHFFFAOYSA-N 136.578 0.988 50 50 ACGA O[C@@H](CF)CBr 2507456 VOUMDHWNLNQWDT-GSVOUGTGSA-N 156.982 0.712 50 50 ACGA CN(C)S(=O)(=O)CCl 34566980 ZXITUKQGFPKRMS-UHFFFAOYSA-N 157.622 0.074 50 50 ACGA in-vitro CC[C@H](C)Oc1ccccc1B(O)O 169922444 LOFURYXLNWGVFJ-QMMMGPOBSA-N 194.039 0.544 50 50 ACGA in-vitro CSc1ccc(F)cc1B(O)O 169934104 UNHPHSXZIHGFFA-UHFFFAOYSA-N 186.016 0.227 50 50 ACGA CCCc1cc(F)c(B(O)O)c(F)c1 170026917 MGAVQINVJUZEGY-UHFFFAOYSA-N 199.993 0.597 50 50 ACGA O=C(Cl)C1CCS(=O)(=O)CC1 137623090 DRFPPWNQAKQZBS-UHFFFAOYSA-N 196.655 0.577 50 50 ACGA OB(O)Cc1cccc(F)c1 169888038 WKNVBMVZEYNEHU-UHFFFAOYSA-N 153.949 0.380 50 50 ACGA C[C@H](Sc1ccccn1)C(=O)NN 5739054 ORFJQZUZIUPZSX-LURJTMIESA-N 197.263 0.552 50 50 ACGA Cc1cc(Cl)c(F)c(B(O)O)c1 169988617 BMTZFSDVTSWLLA-UHFFFAOYSA-N 188.394 0.467 50 50 ACGA COCC(=O)N(N)c1cccc(C)c1 757127558 LMDQWZSMCGDBKO-UHFFFAOYSA-N 194.234 0.848 50 50 ACGA CCS(=O)(=O)N1CC(=CC#N)C1 114741608 HQUIOHSYUKWGOM-UHFFFAOYSA-N 186.236 0.102 50 50 ACGA in-vitro NNC(=O)Cc1cccc(F)c1 19262827 FJKYRKLTOUUAFO-UHFFFAOYSA-N 168.171 0.358 50 50 ACGA in-vitro Cc1cc(F)cc(C)c1B(O)O 203698776 GNTWJIXJCKRFJD-UHFFFAOYSA-N 167.976 0.122 50 50 ACGA in-vitro CCN(CC)C(=O)N(N)C1CC1 757132601 VELFLWWTBXFERF-UHFFFAOYSA-N 171.244 0.786 50 50 ACGA CC(=O)N/N=C/c1ccco1 2163857 ZIIRIMZLPJIXLO-VMPITWQZSA-N 152.153 0.750 50 50 ACGA C/C=C/COc1ccc(B(O)O)cc1 169998897 OVGCUCIIUMMWEJ-NSCUHMNNSA-N 192.023 0.321 50 50 ACGA Cc1cc(C(=O)NN)c(C)o1 3242744 SQBKLMAOOHWVLN-UHFFFAOYSA-N 154.169 0.500 50 50 ACGA in-vitro CCC[C@@H](O)C#N 85547040 AANFRDGJHYLLAE-RXMQYKEDSA-N 99.133 0.671 50 50 ACGA in-vitro CCNC(=O)CBr 1673002 XZHKIYIYQHCBED-UHFFFAOYSA-N 166.018 0.517 50 50 ACGA in-vitro O=C(CCl)OC(=O)CCl 59696906 PNVPNXKRAUBJGW-UHFFFAOYSA-N 170.979 0.534 50 50 ACGA Cc1ccc2sc(B(O)O)cc2c1 169743807 DHNHZPQPQAINDI-UHFFFAOYSA-N 192.048 0.890 50 50 ACGA in-vivo CC(C)(C)c1ccccc1B(O)O 169966530 LXLMKMLQQJSOCB-UHFFFAOYSA-N 178.040 0.664 50 50 ACGA Cc1nonc1C(=O)CCl 299805244 FOUIVZZRPQOZBN-UHFFFAOYSA-N 160.560 0.800 50 50 ACGA CCOC(=O)/C=C(\C)C=O 2584456 YLFXEUMFBVGYEL-GQCTYLIASA-N 142.154 0.695 50 50 ACGA in-vitro O=C=NC1CCOCC1 36155177 AAWBYOPQSPDPCN-UHFFFAOYSA-N 127.143 0.501 50 50 ACGA in-vitro N#CCCl 59699280 RENMDAKOXSCIGH-UHFFFAOYSA-N 75.498 0.749 50 50 ACGA in-vitro C/C=C/C(=O)N(N)c1ccccn1 757128475 QHYWYIFAYMPXEG-GORDUTHDSA-N 177.207 0.864 50 50 ACGA O=C1NC(=O)[C@H](CCCCCl)N1 1608598 ZKHLVOULDIXSCC-YFKPBYRVSA-N 190.630 0.604 50 50 ACGA in-vitro CCOCC(=O)N(N)c1ccccc1 757129604 XBILCDKYPLXMSK-UHFFFAOYSA-N 194.234 0.930 50 50 ACGA COC(=O)N(N)C1CC1 757132404 RVAATVPDNLJZNU-UHFFFAOYSA-N 130.147 0.091 50 50 ACGA CC(=O)OCBr 1846487 NHYXMAKLBXBVEO-UHFFFAOYSA-N 152.975 0.902 50 50 ACGA in-vitro OCC1(CCl)COC1 4582795 BIZNEDGOZPNEPL-UHFFFAOYSA-N 136.578 0.234 50 50 ACGA in-vitro CCOCC(=O)N(N)C(C)C 757131806 MAQUKHONKGOXIV-UHFFFAOYSA-N 160.217 0.134 50 50 ACGA OC(CCl)CCl 1696572 DEWLEGDTCGBNGU-UHFFFAOYSA-N 128.986 0.825 50 50 ACGA in-vitro C=CCOC(=O)CCl 1677158 VMBJJCDVORDOCF-UHFFFAOYSA-N 134.562 0.954 50 50 ACGA in-vitro CC(=O)NCCCBr 36466618 RLSOQVJIKIEVKP-UHFFFAOYSA-N 180.045 0.908 50 50 ACGA OB(O)c1cc2ccc(F)cc2s1 169744871 SVGUNYFQHHUNDJ-UHFFFAOYSA-N 196.011 0.720 50 50 ACGA in-vitro CCOc1cc(C)cc(B(O)O)c1F 169955541 UBTGSIOBPBXJMG-UHFFFAOYSA-N 198.002 0.213 50 50 ACGA CC(C)C(=O)N(N)C(C)C 220559463 VJXSTSXKUKXAEI-UHFFFAOYSA-N 144.218 0.753 50 50 ACGA CN(C)C(=O)N(N)C1CC1 757131269 HACFPSQJQVYXES-UHFFFAOYSA-N 143.190 0.006 50 50 ACGA C=C(C)CNC(=O)CCl 71774048 PQHSNMHCXOSDMA-UHFFFAOYSA-N 147.605 0.918 50 50 ACGA Cn1cnc(CCl)n1 38665130 XUBUISLMIHBGTE-UHFFFAOYSA-N 131.566 0.554 50 50 ACGA in-vitro COC(=O)[C@@H](N=C=O)C(C)(C)C 116574132 KIWOXGRYRHPUQC-ZCFIWIBFSA-N 171.196 0.910 50 50 ACGA CC(=O)[C@@H](Cl)CCO 2170597 FYWDUQCSMYWUHV-YFKPBYRVSA-N 136.578 0.565 50 50 ACGA in-vitro CC(C)OCc1ccc(B(O)O)cc1 203181211 BUUXPHQXSZSJEE-UHFFFAOYSA-N 194.039 0.291 50 50 ACGA CC(=O)[C@H](Cl)CCO 2170595 FYWDUQCSMYWUHV-RXMQYKEDSA-N 136.578 0.565 50 50 ACGA in-vitro COc1cccc(Cl)c1B(O)O 169747901 XNWCIDBPLDKKAG-UHFFFAOYSA-N 186.403 0.028 50 50 ACGA in-vitro Cc1cc(B(O)O)cnc1C(F)F 1857784684 XQGJDPRZDFMFFD-UHFFFAOYSA-N 186.954 0.007 50 50 ACGA CCc1cc(F)ccc1B(O)O 223817241 VEFCZWRFHVRVLY-UHFFFAOYSA-N 167.976 0.068 50 50 ACGA O=C1NC2(CCCCC2)C(=O)O1 138261661 MOVBYGREJMFPKC-UHFFFAOYSA-N 169.180 0.956 50 50 ACGA in-vitro OB(O)C1CCCC1 169743233 VTTDFSNKIMAQTB-UHFFFAOYSA-N 113.953 0.403 50 50 ACGA in-vitro C[C@@]1(C(=O)NN)CC1(Cl)Cl 2746692 PUWQATHJGVISLC-BYPYZUCNSA-N 183.038 0.560 50 50 ACGA in-vitro [C-]#[N+][C@H](CC)C(=O)OC 138297104 NGMQJQMWFNWCKV-RXMQYKEDSA-N 127.143 0.857 50 50 ACGA O=C1OCC[C@H]1Br 3860233 LFJJGHGXHXXDFT-GSVOUGTGSA-N 164.986 0.697 50 50 ACGA in-vitro NNC(=O)c1c[nH]c2ccccc12 318058 QHUYDKZSGDJDSC-UHFFFAOYSA-N 175.191 0.771 50 50 ACGA biogenic,in-vitro ClCc1nc[nH]n1 6062898 GLAZMGQANOHRCR-UHFFFAOYSA-N 117.539 0.544 50 50 ACGA CN(C)C(=O)c1nc(CCl)no1 42383713 KNJWLFRSGWXJFE-UHFFFAOYSA-N 189.602 0.510 50 50 ACGA in-vitro COCCN=C=S 2168500 HTSAVXAFEVUJQE-UHFFFAOYSA-N 117.173 0.736 50 50 ACGA in-vitro O=CNNC(=O)Nc1ccccc1 2169642 MPQCLYYBUUWTCW-UHFFFAOYSA-N 179.179 0.469 50 50 ACGA CC[C@@H](C)C(=O)NN 22161351 XZHQUWDDJFKLND-SCSAIBSYSA-N 116.164 0.022 50 50 ACGA in-vitro COC(=N)CCl 39268135 GAWAXYCUBKOJQP-UHFFFAOYSA-N 107.540 0.849 50 50 ACGA COC(=O)C(=O)CBr 1606708 MQONVZMIFQQQHA-UHFFFAOYSA-N 180.985 0.123 50 50 ACGA in-vitro CO[C@H]1CS(=O)(=O)C[C@H]1Cl 3185539 KZWROUAVGMYMLS-UHNVWZDZSA-N 184.644 0.037 50 50 ACGA in-vitro Cc1cccc(O[C@@H](C)C(=O)NN)c1 5748024 RUOZUZXHZLLHPF-QMMMGPOBSA-N 194.234 0.752 50 50 ACGA in-vitro OB(O)/C=C/C1CCCC1 169794629 REDSVDRKHXLRKC-AATRIKPKSA-N 139.991 0.745 50 50 ACGA in-vitro O=C(Cl)N1CCOCC1 389680 XMWFMEYDRNJSOO-UHFFFAOYSA-N 149.577 0.677 50 50 ACGA N#CS(=O)(=O)c1ccccc1 100119030 VKEVYOIDTOPARM-UHFFFAOYSA-N 167.189 0.941 50 50 ACGA OB(O)c1ccc(C2=CCCC2)cc1 169934035 GLXYEHLBXBQDMB-UHFFFAOYSA-N 188.035 0.934 50 50 ACGA CCC(=O)N(N)CC 197144166 WVMQOTCZRIZJRE-UHFFFAOYSA-N 116.164 0.119 50 50 ACGA OB(O)c1cscc1C(F)(F)F 238853966 LWVQATYLVQPFDR-UHFFFAOYSA-N 195.958 0.447 50 50 ACGA Cc1c(F)ccc(B(O)O)c1Cl 170000839 BXKBOVSTTMEOFT-UHFFFAOYSA-N 188.394 0.467 50 50 ACGA Cc1cc[n+](C[C@H](O)CCl)cc1 3122290 ZFVMDLOPBWFCEX-SECBINFHSA-N 186.662 0.882 50 50 ACGA CN(N)C(=O)OC(C)(C)C 4106840 IHMQNZFRFVYNDS-UHFFFAOYSA-N 146.190 0.727 50 50 ACGA O=C(Cl)c1ncn[nH]1 138423003 UCGFODZIHGSXSZ-UHFFFAOYSA-N 131.522 0.184 50 50 ACGA Cc1cccnc1SCC(=O)NN 215962653 LGCTXJUQFHIVDX-UHFFFAOYSA-N 197.263 0.472 50 50 ACGA COC(=O)/C=C(\CCl)OC 2545267 JNYMRXDQVPIONI-HWKANZROSA-N 164.588 0.929 50 50 ACGA in-vitro CCC(=O)N(N)C1CCOCC1 757131123 DSOODTJWSUBTPE-UHFFFAOYSA-N 172.228 0.278 50 50 ACGA CCOCCCN=C=O 11802381 YTCZSDNDGWZYNK-UHFFFAOYSA-N 129.159 0.749 50 50 ACGA OB(O)c1ccc2occc2c1 169747545 WYXQQAYIAJRORT-UHFFFAOYSA-N 161.953 0.113 50 50 ACGA in-vitro C[C@]12C(=O)OC(=O)[C@@H]1[C@H]1C=C[C@H]2C1 238853951 LTVUCOSIZFEASK-ZFVDQJKFSA-N 178.187 0.898 50 50 ACGA CCOC(=O)CSC#N 1591776 ZRJIGKLTDLURBD-UHFFFAOYSA-N 145.183 0.764 50 50 ACGA OB(O)c1ccc2cccnc2c1F 169904766 UYVBZWJQHLQPII-UHFFFAOYSA-N 190.970 0.054 50 50 ACGA in-vitro COC(=O)/C(C#N)=C\N(C)C 100085 HWBIEDPFULRCDP-WAYWQWQTSA-N 154.169 0.128 50 50 ACGA CCCCCC(=O)NN 1841215 QKWRNBNHSRYCOE-UHFFFAOYSA-N 130.191 0.557 50 50 ACGA in-vitro COCCOCCOCCCl 5355845 WODLURYTHKQUET-UHFFFAOYSA-N 182.647 0.905 50 50 ACGA in-vitro CC(C)NC(=O)CBr 9877381 ZLDCRYWMEQJDGW-UHFFFAOYSA-N 180.045 0.906 50 50 ACGA in-vitro CC(C)C[C@H]1NC(=O)OC1=O 95698062 JHWZWIVZROVFEM-RXMQYKEDSA-N 157.169 0.668 50 50 ACGA N#CC(C(N)=O)=C1CCCC1 402612 PRUZHIRVXUSGBV-UHFFFAOYSA-N 150.181 0.866 50 50 ACGA in-vitro CCCc1cc(C(=O)NN)c(N)s1 12411432 BREUNQUGYROUHX-UHFFFAOYSA-N 199.279 0.886 50 50 ACGA CC(=O)S[C@@H]1CC(=O)OC1=O 100071324 AHTFMWCHTGEJHA-SCSAIBSYSA-N 174.177 0.108 50 50 ACGA CCO/C=C(\C#N)C(=O)OC 4343995 FYXVHJJZGRTONS-AATRIKPKSA-N 155.153 0.603 50 50 ACGA in-vitro OB(O)c1ccc(C2CC2)cc1Cl 169968861 GWZYXGCAGCYADT-UHFFFAOYSA-N 196.442 0.897 50 50 ACGA CC(=O)OC[C@H](O)CCl 2041688 NNIBUEQIBYRALP-RXMQYKEDSA-N 152.577 0.149 50 50 ACGA COc1cccc(/C=N/NC(N)=O)c1 4366377 MJWRHISZLAFFHP-IZZDOVSWSA-N 193.206 0.697 50 50 ACGA N#C[C@H](Cl)C=O 38292293 RJOJHKXZYVLLKN-VKHMYHEASA-N 103.508 0.316 50 50 ACGA COC(=O)N(N)CC1CCC1 757131038 ATBWKYRJJCFAMO-UHFFFAOYSA-N 158.201 0.729 50 50 ACGA CC(C)N(N)C(=O)C1CCC1 757131136 DTFDSVKVKCFHQX-UHFFFAOYSA-N 156.229 0.897 50 50 ACGA COC(=O)CCN=C=S 2390114 VLIJIUDWAKBKSO-UHFFFAOYSA-N 145.183 0.652 50 50 ACGA in-vitro CNC(=O)[C@H](C)Cl 4218321 NKUQJMNRULPRAM-VKHMYHEASA-N 121.567 0.360 50 50 ACGA in-vitro OB(O)c1c(F)ccc2ccoc12 725272362 LYXZWANANJAQGW-UHFFFAOYSA-N 179.943 0.252 50 50 ACGA CCc1ccc(C(=O)NN)cc1 153356 CBPNMGZKCDVJAE-UHFFFAOYSA-N 164.208 0.853 50 50 ACGA in-vitro COC(=O)CCBr 1666985 KQEVIFKPZOGBMZ-UHFFFAOYSA-N 167.002 0.944 50 50 ACGA in-vitro CCCCc1ccc(B(O)O)s1 379333191 LJSWXFPQAOPQCF-UHFFFAOYSA-N 184.069 0.771 50 50 ACGA ClCC1=NCCN1 1494935 YFBPRBZDQSMTKG-UHFFFAOYSA-N 118.567 0.227 50 50 ACGA in-vitro C/C(C=O)=C\N(C)C 33374154 JGAMOQYFDMQPRJ-GQCTYLIASA-N 113.160 0.651 50 50 ACGA in-vitro CC[C@@H](C)Oc1ccccc1B(O)O 169922446 LOFURYXLNWGVFJ-MRVPVSSYSA-N 194.039 0.544 50 50 ACGA in-vitro Cc1ccc(B(O)O)cc1CCl 261494448 XVBKEZIAHHACHD-UHFFFAOYSA-N 184.431 0.414 50 50 ACGA O=C(CCl)NC[C@@H]1CCCO1 3883511 OINOJHHVQJESIB-LURJTMIESA-N 177.631 0.520 50 50 ACGA in-vitro Cc1ccc(B(O)O)c(C)c1F 201077054 WVMGJPPIHJAPAG-UHFFFAOYSA-N 167.976 0.122 50 50 ACGA CC(C)(C)c1cccc(B(O)O)c1 169747608 OKBOGYOXEDEGOG-UHFFFAOYSA-N 178.040 0.664 50 50 ACGA in-vitro Cc1ccc(O)c(C(=O)NN)c1 162083 GZGLTOZYIFDYJD-UHFFFAOYSA-N 166.180 0.304 50 50 ACGA Cn1ncc(C(=O)CCl)n1 238854233 MZIXBUBEWDFBQA-UHFFFAOYSA-N 159.576 0.237 50 50 ACGA in-vitro NNC(=O)CCc1ccccc1 10572 LSSUJBFVEXWEEC-UHFFFAOYSA-N 164.208 0.609 50 50 ACGA CNC(=O)[C@@H](F)Br 2525276 MINFGRMBJUDPPR-UWTATZPHSA-N 169.981 0.423 50 50 ACGA in-vitro OB(O)c1cc(F)c2ncccc2c1 169794712 WIPPUWQSMMRYOR-UHFFFAOYSA-N 190.970 0.054 50 50 ACGA in-vitro CCCN/C=C(\C#N)S(C)(=O)=O 822918474 AGCSMJNGBLBSHT-VOTSOKGWSA-N 188.252 0.396 50 50 ACGA C[C@H](Cl)C(=O)N[C@H]1CCCNC1 675060159 SOQVRSCRBCLOAM-BQBZGAKWSA-N 190.674 0.482 50 50 ACGA CC(=O)NNC(=O)[C@@H]1CC12CCC2 369793 LLDUOAHPARNRBD-ZETCQYMHSA-N 182.223 0.344 50 50 ACGA O=C1OC(=O)[C@@H]2CCC[C@@H]12 100019257 NMSRALOLNIBERV-RFZPGFLSSA-N 140.138 0.486 50 50 ACGA in-vitro CC(C)(C#N)c1ccc(B(O)O)cc1 169745679 BNXBFDTWYHAEIR-UHFFFAOYSA-N 189.023 0.168 50 50 ACGA CCCOCc1ccc(B(O)O)cc1 169926359 WZSZSIRDVBCIQM-UHFFFAOYSA-N 194.039 0.293 50 50 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196.965 0.144 50 50 ACGA CCOCc1cc(B(O)O)ccc1F 230536398 JWFXXKJWAOJNIV-UHFFFAOYSA-N 198.002 0.042 50 50 ACGA COC(=O)N(N)C1CCOCC1 757130994 AFHKPDJRWWRSEX-UHFFFAOYSA-N 174.200 0.108 50 50 ACGA C[C@@H]1C[C@@H](C)C(=O)OC1=O 100786636 SIFQWEJOHACJOL-RFZPGFLSSA-N 142.154 0.732 50 50 ACGA ClCc1nc2ncccn2n1 70461067 BPBNRYMWALIGJD-UHFFFAOYSA-N 168.587 0.863 50 50 ACGA in-vitro OB(O)c1cccc(OCC2CC2)c1 169794588 JKQCWRCXYIUCCN-UHFFFAOYSA-N 192.023 0.155 50 50 ACGA in-vitro C=C(C)C(=O)OC[C@H](O)CCl 2389967 DDKMFQGAZVMXQV-ZCFIWIBFSA-N 178.615 0.705 50 50 ACGA in-vitro ClC[C@H]1CCCN1 14987773 KFINMADAIKCLDI-RXMQYKEDSA-N 119.595 0.977 50 50 ACGA CC[C@@](C)(O)C#N 62238029 VMEHOTODTPXCKT-RXMQYKEDSA-N 99.133 0.671 50 50 ACGA in-man Cc1cccc(B(O)O)c1Cl 169746092 JARHIHWQCALALV-UHFFFAOYSA-N 170.404 0.328 50 50 ACGA CC(C)Nc1ccc(B(O)O)cc1 169856380 DJSHCMVTELTHFC-UHFFFAOYSA-N 179.028 0.187 50 50 ACGA O=CC1=CCCOC1 5190728 RKXCKEHBMLDWET-UHFFFAOYSA-N 112.128 0.532 50 50 ACGA in-vitro OB(O)c1cc2c(Cl)cccc2[nH]1 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OB(O)c1cc2cc(Cl)ccc2o1 169747527 IODPQZJZPKMFKV-UHFFFAOYSA-N 196.398 0.766 50 50 ACGA in-vitro O=S(=O)(O)CCCCCl 3075434 FTZIAYNPUAFERJ-UHFFFAOYSA-N 172.633 0.893 50 50 ACGA C=C(B(O)O)c1ccccc1 169807637 YJCPVMYUISTDKG-UHFFFAOYSA-N 147.970 0.712 50 50 ACGA in-vitro CC(=O)NNC(=O)[C@H]1CC12CCC2 369792 LLDUOAHPARNRBD-SSDOTTSWSA-N 182.223 0.344 50 50 ACGA CCNC(=O)NC(=O)CCl 3106345 BPSCQIPXTHOTMA-UHFFFAOYSA-N 164.592 0.071 50 50 ACGA in-vitro CCc1ccccc1OCC(=O)NN 3226966 RUJYPSOGZRGFLN-UHFFFAOYSA-N 194.234 0.618 50 50 ACGA in-vitro CCCCB(O)O 169743048 QPKFVRWIISEVCW-UHFFFAOYSA-N 101.942 0.259 50 50 ACGA in-vivo O=C(O)/C=N/NC(=O)c1ccco1 174968 VNCFCVZLEDRNPK-XBXARRHUSA-N 182.135 0.080 50 50 ACGA COC(=O)CCC(=O)Cl 1712453 SRXOJMOGPYFZKC-UHFFFAOYSA-N 150.561 0.705 50 50 ACGA in-vitro CCC(CC)C(=O)NN 2564283 ITUUDQHMMMKCCX-UHFFFAOYSA-N 130.191 0.413 50 50 ACGA CNC(=O)CCBr 41729320 BPPLGDWGAYFCBR-UHFFFAOYSA-N 166.018 0.517 50 50 ACGA C=Cc1ccc(F)cc1B(O)O 604221812 OUJQVGLBAOCAPS-UHFFFAOYSA-N 165.960 0.149 50 50 ACGA Cn1ncc(C=O)c1CCl 1772717883 FEYXIFSSIYLFKH-UHFFFAOYSA-N 158.588 0.971 50 50 ACGA O=C1OC[C@H](Cl)O1 2037128 OYOKPDLAMOMTEE-UWTATZPHSA-N 122.507 0.718 50 50 ACGA in-vitro Cn1cnnc1CCl 38915861 IRRRLIVSANOZCH-UHFFFAOYSA-N 131.566 0.554 50 50 ACGA in-vitro O=C1OC(=O)[C@@H]2CCCC[C@H]12 43641115 MUTGBJKUEZFXGO-OLQVQODUSA-N 154.165 0.876 50 50 ACGA in-vitro CSc1ccc(B(O)O)c(F)c1 169745076 OUFPJVWVFXZKOX-UHFFFAOYSA-N 186.016 0.227 50 50 ACGA CCCOc1ccccc1B(O)O 169747500 ZDPMWYOVDLDQDT-UHFFFAOYSA-N 180.012 0.155 50 50 ACGA in-vitro OB(O)c1cc2cc(F)ccc2o1 169747528 YGLIPSIVUHENTJ-UHFFFAOYSA-N 179.943 0.252 50 50 ACGA in-vitro O=S(=O)(O)[C@@H](O)CCCCl 16696675 WEHBFUIMHBXIDH-SCSAIBSYSA-N 188.632 0.212 50 50 ACGA in-vitro CC1(C)[C@H]2C(=O)OC(=O)[C@@H]21 100004119 QKAHKEDLPBJLFD-QWWZWVQMSA-N 140.138 0.342 50 50 ACGA biogenic,in-vitro CC(C)Oc1ccccc1B(O)O 169743484 XDMKBIIRBDPSOE-UHFFFAOYSA-N 180.012 0.154 50 50 ACGA in-vitro CCC(=O)c1ccc(B(O)O)c(C)c1 169955537 DFWKPMGDIPNUDC-UHFFFAOYSA-N 192.023 0.268 50 50 ACGA in-vitro O=C(CCl)N[C@H]1CCn2ccnc21 1875367883 VXWQLQAAONXRFL-LURJTMIESA-N 199.641 0.683 50 50 ACGA CS(=O)(=O)OCCCl 1768592 FMMYTRQXHORTCU-UHFFFAOYSA-N 158.606 0.201 50 50 ACGA in-vitro OB(O)c1ccc(Cl)cc1Cl 169743301 QNEGDGPAXKYZHZ-UHFFFAOYSA-N 190.822 0.673 50 50 ACGA CN1CCN(CCCCl)CC1 19367508 AUERUDPETOKUPT-UHFFFAOYSA-N 176.691 0.863 50 50 ACGA in-vitro O=S(=O)(O)[C@H](O)CCCCl 2567268 WEHBFUIMHBXIDH-BYPYZUCNSA-N 188.632 0.212 50 50 ACGA in-vitro O=C=NC[C@H]1CCCO1 11802365 PCPJIDFJVZWDOX-ZCFIWIBFSA-N 127.143 0.501 50 50 ACGA COCBr 95698346 JAMFGQBENKSWOF-UHFFFAOYSA-N 124.965 0.985 50 50 ACGA in-vitro CO/N=[N+](/O)CC(=O)CCl 225292682 SQSQJVKWGIKGFN-UHFFFAOYSA-N 167.572 0.210 50 50 ACGA ClCCN1CCOCC1 19230201 ZAPMTSHEXFEPSD-UHFFFAOYSA-N 149.621 0.557 50 50 ACGA in-vitro CC(C)[C@H](O)C#N 85546980 YRBPUNHOIVAUFA-RXMQYKEDSA-N 99.133 0.527 50 50 ACGA CCCOc1cccc(F)c1B(O)O 169748123 MRVRMZWHFZYTCY-UHFFFAOYSA-N 198.002 0.294 50 50 ACGA in-vitro N#C/C(N)=C(\C#N)N=Cc1ccco1 252463700 TUDIERUENMEXLK-SIESVSMBSA-N 186.174 0.916 50 50 ACGA O=C1OC(=O)[C@@]23[C@@H]4[C@@H]5C[C@H]([C@@H]6[C@H]5[C@]162)[C@H]43 252427941 LDFCPMLSHWZWHS-VXFOJMQBSA-N 188.182 0.198 50 50 ACGA CON(C)C(=O)Cl 4291205 SHQJHXLWZDMQEJ-UHFFFAOYSA-N 123.539 0.838 50 50 ACGA in-vitro CCOc1ccc(C(=O)NN)c(O)c1 5464726 GXEIWQCWBRNLDE-UHFFFAOYSA-N 196.206 0.394 50 50 ACGA CCCC(=O)N(N)CCC 757132864 YFPBUFCDQJNZOJ-UHFFFAOYSA-N 144.218 0.899 50 50 ACGA COC(=O)[C@@H](C)Cl 2017921 JLEJCNOTNLZCHQ-GSVOUGTGSA-N 122.551 0.787 50 50 ACGA in-vitro COC[C@H](O)CCl 2043739 FOLYKNXDLNPWGC-SCSAIBSYSA-N 124.567 0.233 50 50 ACGA ClCC1COC1 64033757 LIPUPFCIDWQWAP-UHFFFAOYSA-N 106.552 0.872 50 50 ACGA in-vitro OB(O)c1cccc(C2CCC2)c1 198099622 DIBZIPRWPYPKLE-UHFFFAOYSA-N 176.024 0.634 50 50 ACGA in-vitro CC(C)Oc1cccc(F)c1B(O)O 169748122 WVAMTUDWTJMGSG-UHFFFAOYSA-N 198.002 0.293 50 50 ACGA in-vitro CCOCc1ccc(B(O)O)cc1F 203174638 HUYDKWYHMQRLSV-UHFFFAOYSA-N 198.002 0.042 50 50 ACGA CC(C)C(=O)CNC(=O)CCl 669371533 DOGXCASNEYPJNL-UHFFFAOYSA-N 177.631 0.567 50 50 ACGA CCN(N=O)C(N)=O 4804054 FUSGACRLAFQQRL-UHFFFAOYSA-N 117.108 0.068 50 50 ACGA in-vitro OB(O)c1ccc(Cl)c(F)c1 169743972 CMJQIHGBUKZEHP-UHFFFAOYSA-N 174.367 0.159 50 50 ACGA in-vitro COC(=O)[C@H](C)Br 1589664 ACEONLNNWKIPTM-VKHMYHEASA-N 167.002 0.943 50 50 ACGA CN(C)C(=O)[C@@H](Br)C#N 5688738 HLAJXHYCSPHGGI-BYPYZUCNSA-N 191.028 0.362 50 50 ACGA NNC(=O)c1cc(C2CC2)on1 37389242 RCQDEQWJICVPOA-UHFFFAOYSA-N 167.168 0.156 50 50 ACGA CNCCI 16189388 NCBOOWSTLLAGKM-UHFFFAOYSA-N 185.008 0.641 50 50 ACGA CN(C)c1ccc(C(=O)NN)cc1 137335 HITIGLAGJBMISF-UHFFFAOYSA-N 179.223 0.356 50 50 ACGA in-vitro C=CCNC(=O)CCl 1648990 AZOOMRDAGOXGNJ-UHFFFAOYSA-N 133.578 0.527 50 50 ACGA in-vitro O=C(Cl)C(=O)OCC(F)(F)F 79670436 SEARFTWVELJQMX-UHFFFAOYSA-N 190.504 0.857 50 50 ACGA in-vitro CC(C)C(=O)NNC(=O)c1ccco1 436153 ZKSXSGCGSZCDNE-UHFFFAOYSA-N 196.206 0.697 50 50 ACGA Cc1c(Cl)cccc1B(O)O 169744993 BJPNVVXTUYMJPN-UHFFFAOYSA-N 170.404 0.328 50 50 ACGA CCOc1cc(F)c(C)cc1B(O)O 169955186 LAVUZOVMQMSZSP-UHFFFAOYSA-N 198.002 0.213 50 50 ACGA C#CCN1C[C@H](C)[C@](O)(C#N)C[C@H]1C 230046672 DIEWLHNVSGSVEY-HBNTYKKESA-N 192.262 0.605 50 50 ACGA CCCCN(N)C(=O)COCC 757127751 NKCURIOXXSNWJA-UHFFFAOYSA-N 174.244 0.525 50 50 ACGA C[C@H](CC(=O)O)N=C=S 115974599 WBIBRSCESFOPBN-SCSAIBSYSA-N 145.183 0.952 50 50 ACGA CC1(F)CN(C(=O)CCl)C1 1848351620 XYIVAUGSAKGIDA-UHFFFAOYSA-N 165.595 0.796 50 50 ACGA C[C@@H](O)C(=O)N/N=C/c1cccs1 431938 PVWYYRDTLSMAGR-KCXGFMAWSA-N 198.247 0.579 50 50 ACGA NCC#CCCl 2560700 QSLSQMGDWOQUQR-UHFFFAOYSA-N 103.552 0.187 50 50 ACGA CCCN(N)C(=O)CC 757131281 HJIGDRYFCBOTRS-UHFFFAOYSA-N 130.191 0.509 50 50 ACGA COC(=O)N1C=C(C=O)OCC1 725264962 BREQJLYSGKYESH-UHFFFAOYSA-N 171.152 0.125 50 50 ACGA NNC(=O)Cc1cc(F)cc(F)c1 16158280 IOHCJZUHAHBGJW-UHFFFAOYSA-N 186.161 0.497 50 50 ACGA CC(C)(C#N)c1cccc(B(O)O)c1 169955490 WHBIOYORDBEGAI-UHFFFAOYSA-N 189.023 0.168 50 50 ACGA in-vitro OC[C@@H]1C[C@H](Cl)C[C@H](Cl)[C@H]1O 252427922 KHXAEMABSWIAKK-AXMZGBSTSA-N 199.077 0.964 50 50 ACGA NCCCBr 1719021 ZTGQZSKPSJUEBU-UHFFFAOYSA-N 138.008 0.730 50 50 ACGA investigational ClC1CCNCC1 2524890 GBPBXBUHZSOKTH-UHFFFAOYSA-N 119.595 0.977 50 50 ACGA in-vitro C[C@H](Oc1ccc(F)cc1)C(=O)NN 3282566 IWSHFXHHJMUTPS-LURJTMIESA-N 198.197 0.583 50 50 ACGA in-vitro O=C(CBr)NC1CC1 41718385 AFGORAFRNCMUJC-UHFFFAOYSA-N 178.029 0.660 50 50 ACGA in-vitro CCCCOc1ccccc1B(O)O 169747426 NNZPYUBZXKOFHS-UHFFFAOYSA-N 194.039 0.545 50 50 ACGA in-vitro O=C(Cl)CCl 3860850 VGCXGMAHQTYDJK-UHFFFAOYSA-N 112.943 0.991 50 50 ACGA in-man CNCCBr 36720865 CRZZYXUUPZTFGR-UHFFFAOYSA-N 138.008 0.601 50 50 ACGA in-vitro CCCN(N)C(=O)N(C)C 114863751 YDJXGXKAYSKGCF-UHFFFAOYSA-N 145.206 0.254 50 50 ACGA CCC(=O)N(C)N(C)C(=O)CC 2173714 CFKCIBNNGCRCIU-UHFFFAOYSA-N 172.228 0.638 50 50 ACGA CO/C(C=O)=C/N(C)C 2540473 RQHGOEZWYCFGCY-GQCTYLIASA-N 129.159 0.235 50 50 ACGA in-vitro NNC(=O)c1ccnc2ccccc12 2569199 CPWKEFDYIVVJHG-UHFFFAOYSA-N 187.202 0.838 50 50 ACGA in-vitro NNC(=O)c1ccc(Cl)cc1O 6329757 FLKSAGLFDHZIOR-UHFFFAOYSA-N 186.598 0.649 50 50 ACGA in-vitro O=C1OC(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@H]2CC1 33356172 YIHKILSPWGDWPR-SOSBWXJGSA-N 178.187 0.898 50 50 ACGA O=C(O)[C@H](CS)N=C=S 757190162 YRXWUOMPJHURAV-VKHMYHEASA-N 163.223 0.472 50 50 ACGA COc1ccc(C(=O)NN)cc1C#N 217690457 QEOXVKROBMGEHK-UHFFFAOYSA-N 191.190 0.170 50 50 ACGA C[C@@H](O)CCl 2015515 YYTSGNJTASLUOY-GSVOUGTGSA-N 94.541 0.606 50 50 ACGA in-vitro NNC(=O)c1cccc2[nH]ccc12 37245109 VFWVCNABVVHCKS-UHFFFAOYSA-N 175.191 0.771 50 50 ACGA in-vitro O=C(CCCl)N[C@H]1CCCNC1 675060245 VCZDQQDNQDLHGY-ZETCQYMHSA-N 190.674 0.484 50 50 ACGA O=CCBr 30728765 NMPVEAUIHMEAQP-UHFFFAOYSA-N 122.949 0.580 50 50 ACGA in-man,metabolite O=C1OC(=O)[C@@]23CCC[C@@]12C3 196611041 YZVPBMKQLHYKHR-OCAPTIKFSA-N 152.149 0.630 50 50 ACGA CC(C)OC(=O)N(N)c1ncccn1 757126459 FSYYJGCABZYBOJ-UHFFFAOYSA-N 196.210 0.702 50 50 ACGA O=C(CCCl)N1CCC1 36893389 ZWWKQQDEXDCDMW-UHFFFAOYSA-N 147.605 0.848 50 50 ACGA in-vitro NNC(=O)c1cc(F)c(F)c(F)c1 63004703 OBNAXEXVXCKFQO-UHFFFAOYSA-N 190.124 0.707 50 50 ACGA CCOc1ccc(CC(=O)NN)cc1 370388 MSJDXVNHEKXCOO-UHFFFAOYSA-N 194.234 0.618 50 50 ACGA in-vitro CC1(C)C/C(=C(\C#N)C(N)=O)CCO1 1800175 ZZTRDOMIHBHZAE-BQYQJAHWSA-N 194.234 0.881 50 50 ACGA CCN(CC)c1ccc(B(O)O)cc1 169844651 JEVVHTYCMAMSJL-UHFFFAOYSA-N 193.055 0.213 50 50 ACGA C=CCCCCB(O)O 169904281 JXFKAWIGNACKQN-UHFFFAOYSA-N 127.980 0.816 50 50 ACGA in-vitro OB(O)c1ccc(C(F)(F)F)s1 169807956 NHBZQJOZVBHDAZ-UHFFFAOYSA-N 195.958 0.447 50 50 ACGA in-vitro OB(O)c1cc2c(cc1Cl)CCC2 536956208 XKHHVJGUXZBBLO-UHFFFAOYSA-N 196.442 0.509 50 50 ACGA CCCc1cccc(B(O)O)c1 203670497 TUDXWKSKLOPZSP-UHFFFAOYSA-N 164.013 0.319 50 50 ACGA O=C1OC(=O)[C@H]2CC[C@H]1N2C1CC1 521399018 LWQAQDPQCLVMFL-RNFRBKRXSA-N 181.191 0.065 50 50 ACGA O=C1NC[C@H](CCl)O1 3861056 FNOZCEQRXKPZEZ-VKHMYHEASA-N 135.550 0.334 50 50 ACGA in-vitro O=C1C[C@H]([C@H]2CCCO2)C(=O)O1 70665119 CINCBZDVMGZOQJ-PHDIDXHHSA-N 170.164 0.255 50 50 ACGA biogenic NC(=O)NNC(=O)Nc1ccccc1 294359 IPHUWLIAKXSGLC-UHFFFAOYSA-N 194.194 0.391 50 50 ACGA C[C@H]1C=CCC2=C1C(=O)OC2=O 101053834 STTBBKLPESICPR-YFKPBYRVSA-N 164.160 0.962 50 50 ACGA Cc1cccc(CB(O)O)c1 202628994 NAGSUGJEWCDWQZ-UHFFFAOYSA-N 149.986 0.550 50 50 ACGA COC(=O)Cl 3860600 XMJHPCRAQCTCFT-UHFFFAOYSA-N 94.497 0.992 50 50 ACGA in-vivo O=C1N[C@H](Cc2ccccc2)C(=O)O1 95698376 GQBIVYSGPXCELZ-MRVPVSSYSA-N 191.186 0.864 50 50 ACGA in-vitro C[C@@]1(O)CCC[C@H]1NC(=O)CCl 1875375060 PJMGEOMEWLYDEJ-HTRCEHHLSA-N 191.658 0.645 50 50 ACGA N#Cc1cccc(C(=O)NN)c1 19263332 KYKPMNVLZRQRHZ-UHFFFAOYSA-N 161.164 0.162 50 50 ACGA in-vitro C=Cc1cccc(B(O)O)c1 169747054 SYBQEKBVWDPVJM-UHFFFAOYSA-N 147.970 0.009 50 50 ACGA in-vitro NNC(=O)[C@@H]1CC12CCC2 22017714 PNOVFXUGJBLDFR-YFKPBYRVSA-N 140.186 0.167 50 50 ACGA OB(O)C1CCC1 169745165 MIUALDDWOKMYDA-UHFFFAOYSA-N 99.926 0.013 50 50 ACGA in-vitro NC(=O)[C@H]1[C@H]2C[C@H]3[C@@H]([C@@H]2Cl)[C@H]31 254735838 ZBIPENSSBJUZNG-XQCVOTFFSA-N 171.627 0.591 50 50 ACGA Cc1ccc(O[C@@H](C)C(=O)NN)cc1 6213540 VLEDMATYRJUZNS-QMMMGPOBSA-N 194.234 0.752 50 50 ACGA in-vitro C=CC(=O)N[C@H](O)C(Cl)Cl 101368906 BICLFDXXSGFMEV-RXMQYKEDSA-N 184.022 0.411 50 50 ACGA C[C@@]12C(=O)OC(=O)[C@@H]1[C@H]1CC[C@H]2O1 245228339 RJXMWQSSXZMNIT-SPPFEBNGSA-N 182.175 0.254 50 50 ACGA C=CCN=C=O 1627092 HXBPYFMVGFDZFT-UHFFFAOYSA-N 83.090 0.508 50 50 ACGA in-vitro CC(=O)CC(=O)OCCCl 5159467 JAEUQHNZRROYID-UHFFFAOYSA-N 164.588 0.748 50 50 ACGA O=C(O)COCCCl 66351994 MHXJETVNZPUVEN-UHFFFAOYSA-N 138.550 0.326 50 50 ACGA in-vitro CCOC(=O)[C@H](C)N=C=O 2555342 PFIQRPNWLUAMOF-YFKPBYRVSA-N 143.142 0.274 50 50 ACGA in-vitro CCCOc1ccc(C)cc1B(O)O 169747502 MCOSPZKDVLIUOJ-UHFFFAOYSA-N 194.039 0.464 50 50 ACGA in-vitro C[C@H]1CN(C)C[C@@H](C)[C@]1(O)C#N 239135322 LBOPAWUURCFABI-AYMMMOKOSA-N 168.240 0.459 50 50 ACGA COc1ccccc1NCC(=O)NN 142180 WERMOGKUCTZFCJ-UHFFFAOYSA-N 195.222 0.097 50 50 ACGA in-vitro C[C@@H](Br)C(=O)N(C)C 2507446 ZEDHSSVDQTYBRV-SCSAIBSYSA-N 180.045 0.858 50 50 ACGA in-vitro CC(C)(CO)NC(=O)CCl 36108784 BRHZTLCNGNLUDC-UHFFFAOYSA-N 165.620 0.112 50 50 ACGA NNC(=O)c1ccc2ncccc2c1 171306 ODFBQWDWMOXDDW-UHFFFAOYSA-N 187.202 0.838 50 50 ACGA in-vitro O=CNNC(=S)Nc1ccccc1 6514423 JJHJONVFJDXZMV-UHFFFAOYSA-N 195.247 0.634 50 50 ACGA O=C1OC(=O)[C@@H]2[C@@H]3C=C[C@@H]3[C@@H]12 104100502 UTFGPLWKZPCLCO-JGWLITMVSA-N 150.133 0.118 50 50 ACGA CC(C)CCB(O)O 169747938 UVMWVBMFEDQYRW-UHFFFAOYSA-N 115.969 0.505 50 50 ACGA in-vitro BrCC1OCCO1 2242713 CKIIJIDEWWXQEA-UHFFFAOYSA-N 167.002 0.754 50 50 ACGA in-vitro N#CC(=C=N)C=C(C#N)C#N 136681478 ULAAEMHGKSGWQJ-UHFFFAOYSA-N 142.121 0.658 50 50 ACGA Cc1cc(Cl)c(B(O)O)cc1C#N 238493798 KNKWZERJVQDIOR-UHFFFAOYSA-N 195.414 0.200 50 50 ACGA NNC(=O)c1cc(Cl)ccc1O 163459 MIVLIGXZOGZELS-UHFFFAOYSA-N 186.598 0.649 50 50 ACGA in-vitro CC(C)[C@H]1NC(=O)OC1=O 95697968 XNCNNYXFGGTEMT-SCSAIBSYSA-N 143.142 0.277 50 50 ACGA in-vitro C[C@@H]1C=CC[C@@H]2C(=O)OC(=O)[C@H]21 104996613 XPEKVUUBSDFMDR-VQVTYTSYSA-N 166.176 0.898 50 50 ACGA C[N+](C)(C)CCSS(C)(=O)=O 2562407 VRGHSYHERKHVHD-UHFFFAOYSA-N 198.333 0.385 50 50 ACGA in-vitro CCOCc1cc(F)cc(B(O)O)c1 211642860 BYKKJGUAJCCDTC-UHFFFAOYSA-N 198.002 0.042 50 50 ACGA N#CC(=C=N)/C=C/[N+](=O)[O-] 334139276 AJRQFBUWMBBTRE-OWOJBTEDSA-N 137.098 0.475 50 50 ACGA O=C1CC(F)(F)C(=O)O1 165417863 WPSQLIQLGFFWTR-UHFFFAOYSA-N 136.053 0.095 50 50 ACGA OB(O)c1cnc(Cl)cc1Cl 169794702 MUXIQUFADVGXLV-UHFFFAOYSA-N 191.810 0.068 50 50 ACGA in-vitro COC(=O)CC(=CC#N)CC(=O)OC 1724283 WMDNNIMWXQUULJ-UHFFFAOYSA-N 197.190 0.563 50 50 ACGA CCOC(=O)/C(C#N)=C(/C)N 71772994 RQIZEOZYGOTXDU-WAYWQWQTSA-N 154.169 0.306 50 50 ACGA C=CC(=O)OCCCl 1561511 WHBAYNMEIXUTJV-UHFFFAOYSA-N 134.562 0.954 50 50 ACGA OCCSSCCO 1665970 KYNFOMQIXZUKRK-UHFFFAOYSA-N 154.256 0.352 50 50 ACGA in-vivo CC(=O)OC[C@@H](O)CCl 1699458 NNIBUEQIBYRALP-YFKPBYRVSA-N 152.577 0.149 50 50 ACGA CC(=O)C(=O)CBr 62152655 HOJZUQSKSVMXON-UHFFFAOYSA-N 164.986 0.539 50 50 ACGA [C-]#[N+][C@@H](CC)C(=O)OC 138296991 NGMQJQMWFNWCKV-YFKPBYRVSA-N 127.143 0.857 50 50 ACGA C[C@H](Cl)C(=O)N1CCO[C@@H]2C[C@H]21 1875376031 MGLJZGAWPYRYBA-RRKCRQDMSA-N 189.642 0.613 50 50 ACGA ClC[C@@H]1CO1 1487602 BRLQWZUYTZBJKN-GSVOUGTGSA-N 92.525 0.624 50 50 ACGA endogenous,fda CC(C)(C)NC[C@H](O)CCl 2556812 CMTRKCHBUYKDSI-ZCFIWIBFSA-N 165.664 0.974 50 50 ACGA in-vitro CO[Si](OC)(OC)c1ccccc1 169743323 ZNOCGWVLWPVKAO-UHFFFAOYSA-N 198.294 0.772 50 50 ACGA in-vitro OB(O)c1cc2ccccc2cc1F 238643476 VAVTUJWWSROSQC-UHFFFAOYSA-N 189.982 0.659 50 50 ACGA CCOc1cc(C)cc(B(O)O)c1 169934231 DYSSQITZDLDPSX-UHFFFAOYSA-N 180.012 0.074 50 50 ACGA in-vitro Cc1sc2ccccc2c1B(O)O 202242632 VFGACBSDOHKSOK-UHFFFAOYSA-N 192.048 0.890 50 50 ACGA NNC(=O)c1ccccc1F 166452 YJCCKQQVXNNAAR-UHFFFAOYSA-N 154.144 0.429 50 50 ACGA in-vitro CCOc1cc(C)c(B(O)O)cc1C 169747486 LCSUJJZAQIIJTR-UHFFFAOYSA-N 194.039 0.382 50 50 ACGA in-vitro CN(C)c1cccc(C(=O)NN)c1 2561227 UBSSYVLPIDYZJC-UHFFFAOYSA-N 179.223 0.356 50 50 ACGA in-vitro NNC(=O)[C@@H]1[C@H]2CCCC[C@H]21 217344405 NLGTWUMUVALTKA-ZMONIFLSSA-N 154.213 0.413 50 50 ACGA COC(=O)/C(C#N)=C/N(C)C 100083 HWBIEDPFULRCDP-AATRIKPKSA-N 154.169 0.128 50 50 ACGA in-vitro O=C1OC(=O)[C@@H]2CC[C@@H]12 95708055 NMNZZIMBGSGRPN-QWWZWVQMSA-N 126.111 0.096 50 50 ACGA in-vitro O=C1OC(=O)[C@H]2CCCC[C@H]12 100008305 MUTGBJKUEZFXGO-WDSKDSINSA-N 154.165 0.876 50 50 ACGA in-vitro O=C1CC[C@@H](CBr)CN1 225520358 JBIYETMHWVBXDI-YFKPBYRVSA-N 192.056 0.908 50 50 ACGA NC(=O)N/N=C/c1ccc(O)cc1O 50134 LDERFBFHRWDAHJ-ONNFQVAWSA-N 195.178 0.100 50 50 ACGA CN(C)C(=O)N(N)CC1CCC1 757132367 QZTDPKAOTIUMIF-UHFFFAOYSA-N 171.244 0.644 50 50 ACGA CNCCCCl 2516953 QLHYVFSGYNVMPW-UHFFFAOYSA-N 107.584 0.835 50 50 ACGA in-vitro Cc1ccc(C(=O)NN)s1 2574342 HMBLMUIDVHBCOW-UHFFFAOYSA-N 156.210 0.660 50 50 ACGA in-vitro O=C(O)OC(=O)C[C@@H]1CCC(=O)O1 137847688 ZLAAIVBHMNPPEF-BYPYZUCNSA-N 188.135 0.303 50 50 ACGA Cc1cc(C)c(B(O)O)c(C)c1 169746833 BZXQRXJJJUZZAJ-UHFFFAOYSA-N 164.013 0.292 50 50 ACGA O=C1OC(=O)[C@H]2CC[C@H]1S2 196522663 QJWZYQDLGSFKPS-QWWZWVQMSA-N 158.178 0.334 50 50 ACGA OB(O)c1cc(F)c(Cl)cc1F 200167249 LRZWCWTWFFVBGT-UHFFFAOYSA-N 192.357 0.298 50 50 ACGA C[C@@](O)(CBr)C(=O)O 22053214 HBJAYXGUOOININ-SCSAIBSYSA-N 183.001 0.217 50 50 ACGA in-vitro Cc1c(Cl)ccc(B(O)O)c1F 169748218 GEQUDJQVXRZIIK-UHFFFAOYSA-N 188.394 0.467 50 50 ACGA OB(O)Cc1cccc(Cl)c1 203440599 BSHSQFJVCZDZPG-UHFFFAOYSA-N 170.404 0.895 50 50 ACGA Cc1cc(C)c(B(O)O)cc1C 169745536 NNQHKSYWLLYOHI-UHFFFAOYSA-N 164.013 0.292 50 50 ACGA in-vitro Cc1ccc(Cl)c(B(O)O)c1F 169747977 OXBULPFGOYOICC-UHFFFAOYSA-N 188.394 0.467 50 50 ACGA in-vitro OB(O)/C=C/c1ccc(F)cc1 169746976 GBNJRIQSFJFDII-AATRIKPKSA-N 165.960 0.851 50 50 ACGA in-vitro NNC(=O)c1ccc2c(c1)CCO2 14808181 OFPMEMIISWJYRO-UHFFFAOYSA-N 178.191 0.225 50 50 ACGA CC(C)[C@H](N)C(=O)CCl 75538660 HAEGSORFNQKOQX-LURJTMIESA-N 149.621 0.778 50 50 ACGA in-vitro CCN1C[C@@H](C(=O)Cl)CC1=O 65336788 NLMGIWPPOHBGLL-YFKPBYRVSA-N 175.615 0.620 50 50 ACGA C=C(C)C(=O)N[C@@H](O)C(Cl)Cl 101369045 DRCBFWAGDVCAKZ-LURJTMIESA-N 198.049 0.801 50 50 ACGA CCc1cc(C)cc(CC)c1B(O)O 201235915 RJIQZLJNCMHCCN-UHFFFAOYSA-N 192.067 0.800 50 50 ACGA NCCCCl 1668459 BZFKSWOGZQMOMO-UHFFFAOYSA-N 93.557 0.574 50 50 ACGA in-vitro ClCC1OCCO1 1572084 IKZOMJGRWIOEDP-UHFFFAOYSA-N 122.551 0.598 50 50 ACGA in-vitro NCCSSCCO 138029343 OAHFAPXIBISUJB-UHFFFAOYSA-N 153.272 0.319 50 50 ACGA N#CS[C@H]1C=CS(=O)(=O)C1 3865118 FPVZCZACFVXKAJ-YFKPBYRVSA-N 175.234 0.511 50 50 ACGA in-vitro CO[Si](OC)(OC)OC 169743082 LFQCEHFDDXELDD-UHFFFAOYSA-N 152.222 0.008 50 50 ACGA in-vitro OB(O)c1ccc(F)cc1Cl 169743434 XOFNMNLYGPKKOV-UHFFFAOYSA-N 174.367 0.159 50 50 ACGA NNC(=O)NC1CCCCC1 10571 VZVGVHNZWUQMRZ-UHFFFAOYSA-N 157.217 0.492 50 50 ACGA in-vitro O=[N+]([O-])c1ccn(CCl)n1 2536477 IAHWBFFRJXENRJ-UHFFFAOYSA-N 161.548 0.988 50 50 ACGA in-vitro O=C(CCl)Nc1cccnn1 161063351 IGGZGYUKRRPOFD-UHFFFAOYSA-N 171.587 0.654 50 50 ACGA CC(C)(C)NC[C@@H](O)CCl 1558469 CMTRKCHBUYKDSI-LURJTMIESA-N 165.664 0.974 50 50 ACGA in-vitro COc1cccc(C(=O)NN)c1O 19509243 IZKGGRKOUPRINU-UHFFFAOYSA-N 182.179 0.004 50 50 ACGA in-vitro CN1CC=C(C#N)CC1 39073616 PQUMHXSRGJIZOH-UHFFFAOYSA-N 122.171 0.772 50 50 ACGA CC(C)(C)Oc1cccc(B(O)O)c1 196954955 NHNUYDRSOHYBSP-UHFFFAOYSA-N 194.039 0.544 50 50 ACGA C[C@@H]1CC(=NC(=O)[C@@H](C)Cl)NO1 1875380344 MFZMMZGNQFVICP-RFZPGFLSSA-N 190.630 0.852 50 50 ACGA NNC(=O)c1cc(F)cc(F)c1 2574324 DYVVBJWZTNZTBQ-UHFFFAOYSA-N 172.134 0.568 50 50 ACGA in-vitro CCOC(=O)CC(N)=C(C#N)C#N 16037065 PWKXQSSBFGFFBW-UHFFFAOYSA-N 179.179 0.200 50 50 ACGA in-vitro COC(CN=C=S)OC 2528117 LMLTWPRCKDMKLQ-UHFFFAOYSA-N 147.199 0.708 50 50 ACGA in-vitro CCC(=O)N(N)C(C)(C)C 757128645 RIWBWAIHEATNJK-UHFFFAOYSA-N 144.218 0.897 50 50 ACGA CC(=O)N[C@H](O)C(Cl)Cl 5431396 ORGXKMSIEODUAN-SCSAIBSYSA-N 172.011 0.245 50 50 ACGA CC(=O)OCC(=O)CCl 2007333 LCMPIWIWBGHBOY-UHFFFAOYSA-N 150.561 0.357 50 50 ACGA O=C1OC(=O)C2=C1CCC2 8100891 GBBPFLCLIBNHQO-UHFFFAOYSA-N 138.122 0.550 50 50 ACGA Cc1nc(CCl)cc(=O)[nH]1 13137010 BMLCQHXPAJVVJH-UHFFFAOYSA-N 158.588 0.817 50 50 ACGA in-vitro C=CCOC(=O)C(=O)Cl 33606462 HNOLIWBAJVIBOU-UHFFFAOYSA-N 148.545 0.481 50 50 ACGA Br[C@@H]1CCNC1 40448569 UKYCQJXBNJJMDX-SCSAIBSYSA-N 150.019 0.743 50 50 ACGA in-vitro COC(=O)N(N)C(C)(C)C 220333702 MMMACWDEZMICCK-UHFFFAOYSA-N 146.190 0.727 50 50 ACGA OB(O)c1cc2ccc(Cl)cc2o1 1536220704 YSTULHWRFLFDIH-UHFFFAOYSA-N 196.398 0.766 50 50 ACGA C[C@H]1CN(C(=O)CCl)C[C@@H](C)O1 12409046 SMTSEWHPTUIWBY-KNVOCYPGSA-N 191.658 0.861 50 50 ACGA in-vitro ClCC1CNC1 306460463 ZSVSHVVHSCJJHE-UHFFFAOYSA-N 105.568 0.445 50 50 ACGA COC[C@@H](O)CCl 1693052 FOLYKNXDLNPWGC-BYPYZUCNSA-N 124.567 0.233 50 50 ACGA C[C@@]12C(=O)OC(=O)[C@@H]1[C@H]1C=C[C@H]2C1 238853949 LTVUCOSIZFEASK-QFNGTQGLSA-N 178.187 0.898 50 50 ACGA O=P(O)(O)CCCl 3957753 UDPGUMQDCGORJQ-UHFFFAOYSA-N 144.494 0.403 50 50 ACGA in-vitro COC(=O)[C@@H]1C[C@@H]1C(=O)CCl 1857780799 PSBLAPCGKKFLIK-CRCLSJGQSA-N 176.599 0.603 50 50 ACGA NC(=O)[C@H](Cl)CCl 2389923 SQGUQSRDWXDLIH-UWTATZPHSA-N 141.985 0.318 50 50 ACGA in-vitro COC(CCl)OC 1690179 CRZJPEIBPQWDGJ-UHFFFAOYSA-N 124.567 0.844 50 50 ACGA N#C[C@@H]1C[C@H](F)CN1C(=O)CCl 90557251 DMQSZIMWOFNPNR-WDSKDSINSA-N 190.605 0.688 50 50 ACGA OB(O)c1c(F)cccc1Cl 169743530 NXSZSZJWZVLHAY-UHFFFAOYSA-N 174.367 0.159 50 50 ACGA in-vitro OB(O)c1ccc(-c2ccccc2)nc1 169810064 XSQUPVXOENTCJV-UHFFFAOYSA-N 199.018 0.428 50 50 ACGA in-vitro COc1cccc(CB(O)O)c1F 170001019 GKXFJXLOPARNSF-UHFFFAOYSA-N 183.975 0.389 50 50 ACGA NC(=O)N/N=C1/C=CC=C[C@H]2C[C@@H]12 43761544 IFLXIHYYFFOGRQ-WEUXULQRSA-N 177.207 0.773 50 50 ACGA Cc1n[nH]c(CCl)n1 72362050 XXMNXHIONXLAIT-UHFFFAOYSA-N 131.566 0.852 50 50 ACGA in-vitro CO[Si](C)(CCCN)OC 169748378 ZYAASQNKCWTPKI-UHFFFAOYSA-N 163.293 0.700 50 50 ACGA in-vitro Cc1ccccc1C(=O)NN 396298 KFXLXEQCRFGDRU-UHFFFAOYSA-N 150.181 0.599 50 50 ACGA in-vitro CN(N)C(=O)c1ccccc1N 2142819 KBVKSMLDIIJRII-UHFFFAOYSA-N 165.196 0.215 50 50 ACGA NNC(=O)CCNc1ccccc1 19091243 QOZMRVJLWMWVJR-UHFFFAOYSA-N 179.223 0.479 50 50 ACGA in-vitro Cc1nc(C(=O)NN)c(C)s1 167417757 UVGCGIWXPOPLOO-UHFFFAOYSA-N 171.225 0.363 50 50 ACGA O=C1OC(=O)C2=C1CC=CC2 8100980 XCGJCRKHWHYKIE-UHFFFAOYSA-N 150.133 0.716 50 50 ACGA O=C1CC(C(F)F)CC(=O)O1 166293675 ZGPBSGUWDSIJGO-UHFFFAOYSA-N 164.107 0.731 50 50 ACGA COC(=O)[C@@H]1CCN(C(=O)Cl)O1 1536219849 SEFVLLVEGCPLCE-BYPYZUCNSA-N 193.586 0.524 50 50 ACGA CC(=O)OCC(=O)Cl 2019437 HZDNNJABYXNPPV-UHFFFAOYSA-N 136.534 0.315 50 50 ACGA CC(C)[C@@H]1NC(=O)OC1=O 72400702 XNCNNYXFGGTEMT-BYPYZUCNSA-N 143.142 0.277 50 50 ACGA in-vitro C[C@H]1CC(=NC(=O)[C@H](C)Cl)NO1 1875380346 MFZMMZGNQFVICP-WHFBIAKZSA-N 190.630 0.852 50 50 ACGA O=C(O)C[C@H](Cl)C(=O)O 2018557 QEGKXSHUKXMDRW-REOHCLBHSA-N 152.533 0.153 50 50 ACGA in-vitro N#CCOCCCl 34381515 GQFCLJZQECVTDO-UHFFFAOYSA-N 119.551 0.765 50 50 ACGA in-vitro C/C=C/C(=O)N(N)c1ncccn1 757127526 KZMIZAAUUNXLJJ-DUXPYHPUSA-N 178.195 0.259 50 50 ACGA C#CCCC[C@H](O)/C=C/C=O 64857840 RXECVCDYORIBBT-IWGCBNPKSA-N 152.193 0.906 50 50 ACGA in-vitro NNC(=O)[C@H]1C[C@H]1c1ccccc1 270482 LVPLGMIOSVEITG-IUCAKERBSA-N 176.219 0.780 50 50 ACGA in-vitro NNC(=O)CCCOc1ccccc1 35605642 BCPGIEPYVGXOOS-UHFFFAOYSA-N 194.234 0.836 50 50 ACGA in-vitro Cc1cccc(C(=O)NN)c1 280882 XFNNAMBYJSQXKF-UHFFFAOYSA-N 150.181 0.599 50 50 ACGA in-vitro C[C@@H](c1ccc(B(O)O)s1)N(C)C 238455685 RVTWPDFHBCHIAU-LURJTMIESA-N 199.084 0.051 50 50 ACGA NNC(=O)c1c(F)cccc1F 39563 GVZACAPOZBPAMJ-UHFFFAOYSA-N 172.134 0.568 50 50 ACGA in-vitro COc1ccccc1/C=N/NC(N)=O 62869 DHWJIVYXNUCLPX-IZZDOVSWSA-N 193.206 0.697 50 50 ACGA Cc1ccc(N)c(C(=O)NN)c1 152574 TYOORXFLYLJSOE-UHFFFAOYSA-N 165.196 0.181 50 50 ACGA in-vitro O=C=NCCBr 2556964 JLHTVZLEHOQZBM-UHFFFAOYSA-N 149.975 0.717 50 50 ACGA O=C1OC(=O)[C@@H]2[C@H](Cl)[C@@H](Cl)[C@H]12 105185039 SVWYPMPUZSZFRO-YCAKELIYSA-N 195.001 0.531 50 50 ACGA Cc1c[nH]c2ccc(B(O)O)cc12 196947648 YLJHTMTUVOSOMB-UHFFFAOYSA-N 174.996 0.156 50 50 ACGA in-vitro O=C(O)CBr 3860231 KDPAWGWELVVRCH-UHFFFAOYSA-N 138.948 0.466 50 50 ACGA in-vivo CO[C@H](C)C(=O)Cl 6032445 NBEMORIANHKPTH-GSVOUGTGSA-N 122.551 0.787 50 50 ACGA O=C1OC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2C12CC2 105340185 KPGJKBBMROFHML-XUTVFYLZSA-N 190.198 0.898 50 50 ACGA CN(C)C(=O)N(N)c1ccccn1 757127313 KDMWOPCSWIYRSD-UHFFFAOYSA-N 180.211 0.443 50 50 ACGA N#C/C(=C\c1cccnc1)C(N)=O 121490 HBHVANPHMSEPFC-XBXARRHUSA-N 173.175 0.474 50 50 ACGA O[C@@]1(CCl)CN2CCC1CC2 12363390 VHMRKWDUGMGPLX-QMMMGPOBSA-N 175.659 0.682 50 50 ACGA COC(=O)N/N=C1\CCCN1 95532007 BVHRDPUPSILFMF-UHFFFAOYSA-N 157.173 0.039 50 50 ACGA OB(O)c1cc(F)cc(Cl)c1F 238617965 FUEJTTZXXILONA-UHFFFAOYSA-N 192.357 0.298 50 50 ACGA CC(C)(O)CCl 1678735 JNOZGFXJZQXOSU-UHFFFAOYSA-N 108.568 0.996 50 50 ACGA in-vitro COc1ccc(C(=O)NN)cc1O 86722903 SPWADCUSCQCFOH-UHFFFAOYSA-N 182.179 0.004 50 50 ACGA OB(O)c1ccc2ccoc2c1 169997060 IBCSNLAKMCMGCZ-UHFFFAOYSA-N 161.953 0.113 50 50 ACGA in-vitro OB(O)c1cc(-c2ccccc2)no1 169809881 VEJIQHRMIYFYPS-UHFFFAOYSA-N 188.979 0.021 50 50 ACGA C=CC(=O)OC(=O)C=C 59818875 ARJOQCYCJMAIFR-UHFFFAOYSA-N 126.111 0.428 50 50 ACGA in-vitro O=S(=O)(F)CC[C@@H]1CO1 144782478 FGYRHYUVGSZLOI-SCSAIBSYSA-N 154.162 0.075 50 50 ACGA O=CC(Cl)Cl 4404565 NWQWQKUXRJYXFH-UHFFFAOYSA-N 112.943 0.989 50 50 ACGA in-man NNC(=O)c1nc(C2CC2)cs1 95631100 KZVHUMBXYXCMDX-UHFFFAOYSA-N 183.236 0.624 50 50 ACGA in-vitro O=C(CCl)N1CC(O)(C(F)F)C1 1875366155 VRKOYRDBZJTCRE-UHFFFAOYSA-N 199.584 0.064 50 50 ACGA O=C(O)[C@H](Br)CF 2032442 FBPUCVAAEPPEMG-UWTATZPHSA-N 170.965 0.804 50 50 ACGA in-vitro C=CCNC(=O)[C@@H](C)Cl 12504899 IGQVZORBBWSCKH-RXMQYKEDSA-N 147.605 0.916 50 50 ACGA in-vitro CC(C)(C)c1ccc(F)c(B(O)O)c1 170001324 LBRVIJSKYRTRCC-UHFFFAOYSA-N 196.030 0.803 50 50 ACGA C[C@@H](Cl)C(=O)N1CCC[C@@H](N)C1 642886413 OSYDESXIIAJQNB-RNFRBKRXSA-N 190.674 0.563 50 50 ACGA CC(C)(C)CC(=O)NN 2564282 SACSRXVRYAIYQN-UHFFFAOYSA-N 130.191 0.413 50 50 ACGA in-vitro CCCCCB(O)O 169747075 ABWPXVJNCQKYDR-UHFFFAOYSA-N 115.969 0.649 50 50 ACGA Cc1ccc(OC(C)C)cc1B(O)O 169995440 GOZKXGDILPLHDM-UHFFFAOYSA-N 194.039 0.462 50 50 ACGA in-vitro CN(C)C(=O)N(N)CC(F)(F)F 757127604 MBYUFWRMCGLEDU-UHFFFAOYSA-N 185.149 0.406 50 50 ACGA CCCOC(=O)N(N)CC 757127980 OCAXUKMGEKWSIF-UHFFFAOYSA-N 146.190 0.729 50 50 ACGA O=C(Cl)C[C@H]1SC(=O)NC1=O 2554161 RUZCTNSHSRPPSW-UWTATZPHSA-N 193.611 0.494 50 50 ACGA in-vitro O=C(CCl)NC(=O)C1CC1 716062825 ZKPFDCKTVYPYTM-UHFFFAOYSA-N 161.588 0.278 50 50 ACGA CCOC(=O)[C@H](Cl)C=O 5856715 DWXKSCKBUSAOKS-SCSAIBSYSA-N 150.561 0.356 50 50 ACGA in-vitro CNC(=O)C(C)(C)CCl 19092801 GWZDRCUOLUCSJX-UHFFFAOYSA-N 149.621 0.997 50 50 ACGA in-vitro [C-]#[N+]CCC(=O)OCC 95698106 OWGWPQZQJKIGCB-UHFFFAOYSA-N 127.143 0.859 50 50 ACGA COC(=O)N/N=C(\C)CCl 5183927 LCGQSEGTIXIWOF-QPJJXVBHSA-N 164.592 0.957 50 50 ACGA NC(=O)[C@H](F)Cl 8698312 BUIKMFCMUJNGDU-SFOWXEAESA-N 111.503 0.006 50 50 ACGA in-vitro CCOc1ccc(B(O)O)cc1C 169743957 GAFSYSHEDOIUSI-UHFFFAOYSA-N 180.012 0.074 50 50 ACGA in-vitro CCOC=C(C#N)C#N 1641627 OEICGMPRFOJHKO-UHFFFAOYSA-N 122.127 0.954 50 50 ACGA in-vitro CSC[C@H](N=C=O)C(=O)O 757190075 YCWNLLMYCJSUDZ-BYPYZUCNSA-N 161.182 0.138 50 50 ACGA CCOc1ccc(C(=O)NN)cc1 2146936 STTILZBQLOSDNQ-UHFFFAOYSA-N 180.207 0.689 50 50 ACGA in-vitro O=C1OC(=O)c2c1cccc2[N+](=O)[O-] 72400166 ROFZMKDROVBLNY-UHFFFAOYSA-N 193.114 0.905 50 50 ACGA in-vitro CC[Si](OC)(OC)OC 169743507 SBRXLTRZCJVAPH-UHFFFAOYSA-N 150.250 0.884 50 50 ACGA in-vitro Cc1cc(B(O)O)ccc1Cl 169746839 UZDPQDBLCJDUAX-UHFFFAOYSA-N 170.404 0.328 50 50 ACGA in-vitro CC(=O)c1ccc(Cl)c(B(O)O)c1 169747861 QMHQVMHOGNFKMA-UHFFFAOYSA-N 198.414 0.222 50 50 ACGA in-vitro CSc1ccc(B(O)O)c(C)c1 170000785 HVNDQDBZHJIHLK-UHFFFAOYSA-N 182.053 0.397 50 50 ACGA in-vitro CCOCc1cc(F)ccc1B(O)O 230526947 DLLCBBRHJIFXRS-UHFFFAOYSA-N 198.002 0.042 50 50 ACGA O=C1OC[C@@H](CCl)O1 1702520 LFEAJBLOEPTINE-GSVOUGTGSA-N 136.534 0.761 50 50 ACGA CC(=O)N/N=C/c1ccc(O)cc1 3164571 WMKXJXWDBLNVHL-UXBLZVDNSA-N 178.191 0.862 50 50 ACGA Cc1ccccc1NCC(=O)NN 143236 DRDPZHCDTYCNSA-UHFFFAOYSA-N 179.223 0.397 50 50 ACGA in-vitro OB(O)c1cccc(SC2CC2)c1 169933943 IRIBESPMJRRSQT-UHFFFAOYSA-N 194.064 0.621 50 50 ACGA OB(O)c1cccc(-c2ccncc2)c1 202415150 MNLSLPDPQOGLHD-UHFFFAOYSA-N 199.018 0.428 50 50 ACGA in-vitro CSC[C@@H](N=C=O)C(=O)O 757190115 YCWNLLMYCJSUDZ-SCSAIBSYSA-N 161.182 0.138 50 50 ACGA CN(C)C(=O)Cl 1712063 YIIMEMSDCNDGTB-UHFFFAOYSA-N 107.540 0.907 50 50 ACGA in-vitro NNC(=O)c1cccc2ncccc12 37389240 WRSYLKYGVWUPQP-UHFFFAOYSA-N 187.202 0.838 50 50 ACGA in-vitro NNC(=O)COc1ccccc1 63726 XSONSBDQIFBIOY-UHFFFAOYSA-N 166.180 0.055 50 50 ACGA in-vitro Cc1ccc(F)c(Cl)c1B(O)O 238490028 IDFAHLDZRLQXIH-UHFFFAOYSA-N 188.394 0.467 50 50 ACGA COc1ccc(O)c(C(=O)NN)c1 2566099 JPYRNJPDBJVZLH-UHFFFAOYSA-N 182.179 0.004 50 50 ACGA in-vitro O=C1OC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2CC1 100057040 YIHKILSPWGDWPR-DKXJUACHSA-N 178.187 0.898 50 50 ACGA in-vitro O=C(O)CC[C@H]1CCC(=O)OC1=O 100508028 RKHVYUINAFDGOB-YFKPBYRVSA-N 186.163 0.331 50 50 ACGA CN(C)c1nc(N)nc(CCl)n1 1076036 WMWUQLMRNQGYEY-UHFFFAOYSA-N 187.634 0.259 50 50 ACGA in-vitro N#CCI 59699220 VODKOOOHHCAWFR-UHFFFAOYSA-N 166.949 0.945 50 50 ACGA in-vitro NNC(=O)CC1CCCCC1 2391971 JFBXNQGAIGCUKF-UHFFFAOYSA-N 156.229 0.947 50 50 ACGA in-vitro NNC(=O)Cc1ccccc1[N+](=O)[O-] 2568935 QCRHPUBNFOAAFJ-UHFFFAOYSA-N 195.178 0.127 50 50 ACGA in-vitro O=c1c2ccccc2nnn1CCl 3270905 DIBUQPIFKGWZDT-UHFFFAOYSA-N 195.609 0.988 50 50 ACGA in-vitro NNC(=O)c1ccc(O)cc1Cl 149519160 QSXAXECOHNROJB-UHFFFAOYSA-N 186.598 0.649 50 50 ACGA CCCNC(=O)CCl 4411382 SHWUYQDIJUWTPM-UHFFFAOYSA-N 135.594 0.751 50 50 ACGA in-vitro COC1=C(C#N)C(=O)N(C)CC1 85345130 YQISINGDCYNORP-UHFFFAOYSA-N 166.180 0.273 50 50 ACGA CC(C)=C(C#N)[C@@H](O)C#N 1307306101 TXHXKUXOEGOQGP-ZETCQYMHSA-N 136.154 0.731 50 50 ACGA CC1=NO[C@H](CNC(=O)CCl)C1 1775988909 QDCPWMGYPOPNNR-LURJTMIESA-N 190.630 0.506 50 50 ACGA OB(O)C1=CCCCCC1 169745125 MMOVERLKAAQVGD-UHFFFAOYSA-N 139.991 0.889 50 50 ACGA in-vitro CC(C)(C)C(=O)N(N)C1CC1 757131011 AKNXSYYQYXOETQ-UHFFFAOYSA-N 156.229 0.897 50 50 ACGA NNC(=O)Oc1ccccc1 79243 DNDTZRSLSJSECH-UHFFFAOYSA-N 152.153 0.649 50 50 ACGA C[C@H](Cl)C(=O)N(C)C 4218319 WDOAUKIEENWZNC-BYPYZUCNSA-N 135.594 0.702 50 50 ACGA CC(C)C/C=C/B(O)O 169744912 OLTGERMANPOCTC-HWKANZROSA-N 127.980 0.601 50 50 ACGA in-vitro Cc1cc(C)c(C)c(B(O)O)c1C 169844705 BCMVUEOVWMZJBS-UHFFFAOYSA-N 178.040 0.600 50 50 ACGA in-vitro O=C1OC(=O)[C@]23[C@H]4[C@@H]5C[C@H]([C@H]6[C@@H]5[C@@]162)[C@H]43 252427940 LDFCPMLSHWZWHS-UCEZVJGHSA-N 188.182 0.198 50 50 ACGA CNC(=O)C1(CBr)CC1 261506854 BPFVVDZWOOVNGF-UHFFFAOYSA-N 192.056 0.908 50 50 ACGA CC(C)C(=O)N(N)c1ncccn1 757128933 RZPOSZJCOAGYMW-UHFFFAOYSA-N 180.211 0.339 50 50 ACGA O=C(CCl)N[C@H]1CCSC1=O 4992766 OSXVVUUZQNPXHC-BYPYZUCNSA-N 193.655 0.374 50 50 ACGA in-vitro CN1C[C@@H](CBr)CC1=O 238316740 ZFTVWEDESDLAGE-RXMQYKEDSA-N 192.056 0.860 50 50 ACGA Cc1ccc(B(O)O)c(Cl)c1 169744954 UKYCKUPXBPLXBA-UHFFFAOYSA-N 170.404 0.328 50 50 ACGA O=C(Cl)C(=O)Cl 59699226 CTSLXHKWHWQRSH-UHFFFAOYSA-N 126.926 0.517 50 50 ACGA in-vitro [C-]#[N+]CCCOC 100000339 WDTGKQZNHIWLOL-UHFFFAOYSA-N 99.133 0.942 50 50 ACGA in-vitro CC(=O)O[C@H]1CCN(C(=O)Cl)C1 1536219995 ZQEFXNPDAACZOM-LURJTMIESA-N 191.614 0.983 50 50 ACGA C[C@@H](O)C(=O)N/N=C/c1ccccc1 275802 JVJFSRJUECUBSY-XAPLUZPNSA-N 192.218 0.518 50 50 ACGA C#CC[C@H]1CC(=O)OC1=O 100544525 QLTWDRPUZFBSDC-YFKPBYRVSA-N 138.122 0.099 50 50 ACGA in-vitro CCOC[C@@H](O)CCl 2159850 XHIINWKFCZSGNY-YFKPBYRVSA-N 138.594 0.623 50 50 ACGA C=Cc1ccccc1B(O)O 169747056 QHFAXRHEKNHTDH-UHFFFAOYSA-N 147.970 0.009 50 50 ACGA in-vitro CCC(=O)F 1847425 WMFABESKCHGSRC-UHFFFAOYSA-N 76.070 0.893 50 50 ACGA OB(O)c1cccc(-c2ccccc2)n1 169935232 IYTUCLYDZGDBCM-UHFFFAOYSA-N 199.018 0.428 50 50 ACGA in-vitro C[C@@H](Cl)C(N)=S 714540999 PKCPYDKOXIZGTF-UWTATZPHSA-N 123.608 0.900 50 50 ACGA CC(C)C(=O)N(N)C1CC1 757133026 ZWWUOABXLOHLQU-UHFFFAOYSA-N 142.202 0.507 50 50 ACGA C[C@H](Cl)C(=O)N1CCC12COC2 1875375620 FZRWCZVKQFOJMH-LURJTMIESA-N 189.642 0.615 50 50 ACGA O=CNNc1ccc([N+](=O)[O-])cc1 3921237 OOZGXMAMKUQKGJ-UHFFFAOYSA-N 181.151 0.668 50 50 ACGA OB(O)c1ccc(-c2ccccn2)cc1 169989635 BANFGGCAQWUIAJ-UHFFFAOYSA-N 199.018 0.428 50 50 ACGA NNC(=O)c1cccc2cccnc12 26896160 ANNUAPCFXNMTND-UHFFFAOYSA-N 187.202 0.838 50 50 ACGA C[C@H](O)CCl 1713391 YYTSGNJTASLUOY-VKHMYHEASA-N 94.541 0.606 50 50 ACGA in-vitro COc1ccc(Cl)c(B(O)O)c1 169743447 REFXAANPQCJZRY-UHFFFAOYSA-N 186.403 0.028 50 50 ACGA in-vitro CCOc1cccc(C(=O)NN)c1 156573 ROKJUCOMVRXSAC-UHFFFAOYSA-N 180.207 0.689 50 50 ACGA in-vitro COC(=O)CC(=O)Cl 2170332 UTBCRHAMJFMIIR-UHFFFAOYSA-N 136.534 0.315 50 50 ACGA in-vitro Cc1csc2ccc(B(O)O)cc12 238555207 LVNZENNPCGJVDS-UHFFFAOYSA-N 192.048 0.890 50 50 ACGA CC(=O)OCC(=O)N(N)C(C)(C)C 757127181 JWLIXIGEAFOOQP-UHFFFAOYSA-N 188.227 0.050 50 50 ACGA Cc1cc(C)cc(C(=O)NN)c1 2576205 JAXXNYJSWNHITI-UHFFFAOYSA-N 164.208 0.907 50 50 ACGA in-vitro OB(O)c1ccc(C(F)(F)F)cc1 169743277 ALMFIOZYDASRRC-UHFFFAOYSA-N 189.929 0.385 50 50 ACGA in-vivo C[C@H](Cl)C(=O)O 2034501 GAWAYYRQGQZKCR-REOHCLBHSA-N 108.524 0.698 50 50 ACGA in-vitro BrCCOC[C@@H]1CO1 145369106 GDLGFURVIFFVHU-RXMQYKEDSA-N 181.029 0.797 50 50 ACGA O=C(O)[C@H]1C[C@@H]1CCl 212119152 UTMFMZALCNUPDJ-DMTCNVIQSA-N 134.562 0.946 50 50 ACGA O=C/C(=C\O)c1cnccn1 100389409 ZXKZMTIOZRAJHA-GQCTYLIASA-N 150.137 0.574 50 50 ACGA N#Cc1ccc(B(O)O)cc1C1CC1 203614220 STNXVYNJBSXPEM-UHFFFAOYSA-N 187.007 0.115 50 50 ACGA CCC(=O)N(N)c1ccccn1 757125874 BTKHAOMKBRMFRR-UHFFFAOYSA-N 165.196 0.698 50 50 ACGA Cc1ccc(CC(=O)NN)c(C)c1 20134022 ZCICNLIMIBXUOR-UHFFFAOYSA-N 178.235 0.836 50 50 ACGA Cc1ccc(Cl)c(B(O)O)c1 169745672 JMUXNVYJDBCLPF-UHFFFAOYSA-N 170.404 0.328 50 50 ACGA NNC(=O)CC[C@@H]1CCCOC1 307760975 XRJUOQYBRHHZBQ-ZETCQYMHSA-N 172.228 0.183 50 50 ACGA NNC(=O)c1ccc(Cl)nc1 166745 BIECNFYNFQQRRP-UHFFFAOYSA-N 171.587 0.339 50 50 ACGA in-vitro C#CCCl 1693866 LJZPPWWHKPGCHS-UHFFFAOYSA-N 74.510 0.858 50 50 ACGA NNC(=O)c1ccnc(Cl)c1 4783477 MZIIYNBBSHJOLD-UHFFFAOYSA-N 171.587 0.339 50 50 ACGA in-vitro CCOc1ccc(B(O)O)c(C)c1 169745378 MBEQXBKSJCOKJF-UHFFFAOYSA-N 180.012 0.074 50 50 ACGA C=C(Cl)COC(=O)C(=O)F 71773613 VFJFFZOLHSXKOG-UHFFFAOYSA-N 166.535 0.778 50 50 ACGA NNC(=O)c1ccc(O)cc1F 75848458 SVPCUOLYHMRARC-UHFFFAOYSA-N 170.143 0.135 50 50 ACGA C[C@@H]1C=CC[C@H]2C(=O)OC(=O)[C@H]12 100012924 XPEKVUUBSDFMDR-FSDSQADBSA-N 166.176 0.898 50 50 ACGA CC(C)c1ccc(B(O)O)c(F)c1 238233671 HZJKIIXSJUHKOY-UHFFFAOYSA-N 182.003 0.629 50 50 ACGA N#CC1=C2C=CC=CN2CC1=O 332899 DCCUMFSNUVOKDC-UHFFFAOYSA-N 158.160 0.732 50 50 ACGA O=C1OC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@@H]12 100149399 QMLYJZNAGFCCGP-ZQBLYPSISA-N 190.198 0.754 50 50 ACGA in-vitro NNC(=O)c1ccnc(Cl)c1F 238561776 KKBBFAALGOALTH-UHFFFAOYSA-N 189.577 0.478 50 50 ACGA O=C1OC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@@H]12 100006787 YIHKILSPWGDWPR-RULNZFCNSA-N 178.187 0.898 50 50 ACGA in-vitro C=Cc1ccc(B(O)O)cc1 169743279 QWMJEUJXWVZSAG-UHFFFAOYSA-N 147.970 0.009 50 50 ACGA in-vitro CCCn1nnnc1CCl 4207176 RDANDYOMPHAKPO-UHFFFAOYSA-N 160.608 0.822 50 50 ACGA in-vitro CN(C)C(=O)CCCl 5717932 OZJYYPUOUHCAGX-UHFFFAOYSA-N 135.594 0.704 50 50 ACGA in-vitro [C-]#[N+]CC(=O)OCC 59796743 FPULFENIJDPZBX-UHFFFAOYSA-N 113.116 0.469 50 50 ACGA O=C=N[C@H]1CC[C@H](C(=O)O)CC1 757188292 NZFOVYMORYLSPV-LJGSYFOKSA-N 169.180 0.966 50 50 ACGA CN1CCN(C)C1Cl 19321075 QKLHCAXBFMBYPX-UHFFFAOYSA-N 134.610 0.386 50 50 ACGA NC(=O)N/N=C1\[C@@H]2CC[C@@H]2[C@H]2C[C@@H]12 102318376 YVVDSTKSWRMONG-MMOVDHPISA-N 179.223 0.687 50 50 ACGA O=COCCCl 1690059 QHOINBKBMJLHPY-UHFFFAOYSA-N 108.524 0.398 50 50 ACGA NNC(=O)Cc1ccsc1 120974 YNMRDHMMFCGQBD-UHFFFAOYSA-N 156.210 0.281 50 50 ACGA in-vitro O=C(Cl)c1cncnc1 2511468 NFKXXURQUMEXDJ-UHFFFAOYSA-N 142.545 0.856 50 50 ACGA in-vitro CC[C@@H](C)CB(O)O 203446945 NGHJHHWXNRSHSI-RXMQYKEDSA-N 115.969 0.505 50 50 ACGA CC(=C(C#N)C#N)[C@@H](C)O 396003 JQIPSELZSYYECE-ZCFIWIBFSA-N 136.154 0.731 50 50 ACGA OB(O)c1cc2ccccc2s1 169743221 YNCYPMUJDDXIRH-UHFFFAOYSA-N 178.021 0.581 50 50 ACGA in-vivo CC(C)[C@H](NC(=O)CCl)C(=O)O 163871 LJRISAYPKJORFZ-LURJTMIESA-N 193.630 0.451 50 50 ACGA in-vitro O[C@@H](CCl)C[n+]1ccccc1 3122293 SZTUFZDUCVDORP-QMMMGPOBSA-N 172.635 0.574 50 50 ACGA NNC(=O)Cc1ccccc1F 22166985 PNDSPBIGKGHCSR-UHFFFAOYSA-N 168.171 0.358 50 50 ACGA in-vitro OB(O)c1cc(Cl)cnc1Cl 169744927 IISUHTJFLBUMKT-UHFFFAOYSA-N 191.810 0.068 50 50 ACGA in-vitro O=S1(=O)CC[C@H](N=C=S)C1 3865999 PSOFIRZPDGOPJE-YFKPBYRVSA-N 177.250 0.276 50 50 ACGA in-vitro CN1CCC(=NNC(=O)C2CC2)CC1 4113323 SPESFRFIHAKXOK-UHFFFAOYSA-N 195.266 0.594 50 50 ACGA Cn1cc(C(=O)CCl)nn1 306268075 ITGICIXXKKKYJQ-UHFFFAOYSA-N 159.576 0.237 50 50 ACGA O=C1OC(=O)[C@@H]2[C@H]3C=C[C@H](CC3)[C@@H]12 95736157 YIHKILSPWGDWPR-ULAWRXDQSA-N 178.187 0.898 50 50 ACGA O=C1OC(=O)[C@@H]2CCCC[C@@H]12 100029554 MUTGBJKUEZFXGO-PHDIDXHHSA-N 154.165 0.876 50 50 ACGA in-vitro COc1ccc(C(=O)NN)c(O)c1 3883518 VMRCVWCZLIPZLW-UHFFFAOYSA-N 182.179 0.004 50 50 ACGA in-vitro CCCOc1ccc(F)c(B(O)O)c1 169877044 ZFTDUFUEQNIBCF-UHFFFAOYSA-N 198.002 0.294 50 50 ACGA in-vitro OB(O)c1cccc(C(F)(F)F)c1 169743276 WOAORAPRPVIATR-UHFFFAOYSA-N 189.929 0.385 50 50 ACGA in-vivo CCOC(=O)[C@@H](C)N=C=O 5227127 PFIQRPNWLUAMOF-RXMQYKEDSA-N 143.142 0.274 50 50 ACGA in-vitro NNC(=O)[C@H]1COc2ccccc2C1 32918982 CRZHHAIRMIQRBN-MRVPVSSYSA-N 192.218 0.228 50 50 ACGA OB(O)c1ccc2c3c(cccc13)CC2 169844692 RBYUCFIZMNKDGX-UHFFFAOYSA-N 198.030 0.618 50 50 ACGA in-vitro OB(O)CSc1ccccn1 169934207 OKUYWXLMCREJLK-UHFFFAOYSA-N 169.014 0.186 50 50 ACGA in-vitro OB(O)c1cccc2sccc12 196729604 CVFRBXCMTNBDBI-UHFFFAOYSA-N 178.021 0.581 50 50 ACGA in-vitro CN1CCN(CCCl)CC1 19366121 FHDYRFNCTJFNQX-UHFFFAOYSA-N 162.664 0.473 50 50 ACGA in-vitro O=S(=O)(O)CCCCl 4542306 CEPMBESUVXXFST-UHFFFAOYSA-N 158.606 0.503 50 50 ACGA O=C(CCl)N[C@@H]1CCSC1=O 4992765 OSXVVUUZQNPXHC-SCSAIBSYSA-N 193.655 0.374 50 50 ACGA in-vitro CC[C@H](OC(C)C)C(=O)NN 12137878 ZYFMBSLEECOFNE-LURJTMIESA-N 160.217 0.180 50 50 ACGA in-vitro OB(O)c1cc2cc(F)ccc2s1 169747431 DGEAJPZHUYFBGZ-UHFFFAOYSA-N 196.011 0.720 50 50 ACGA in-vitro Cc1ocnc1CNC(=O)CCl 306560056 AWVPPTILCWFXJS-UHFFFAOYSA-N 188.614 0.838 50 50 ACGA Cn1ncc(CBr)n1 167062611 PJPWIBFTCALVQX-UHFFFAOYSA-N 176.017 0.710 50 50 ACGA in-vitro Cc1cc(B(O)O)cc2cccnc12 170001055 KPWIXZPDEDRDPT-UHFFFAOYSA-N 187.007 0.223 50 50 ACGA COC(=O)[C@@H](C#N)O[Si](C)(C)C 196333657 DJIJPTBYOASKDU-ZCFIWIBFSA-N 187.271 0.903 50 50 ACGA in-vitro CN(C)/C=C(\C#N)C=O 1716623 RRUXUDNMISMLAO-GQCTYLIASA-N 124.143 0.154 50 50 ACGA in-vitro CCOC(=O)/C=C/C#N 6439008 AMQZZSZCLSVKLO-ONEGZZNKSA-N 125.127 0.629 50 50 ACGA CNNC(=O)COc1ccccc1 35653726 HOIQPLCLSHEJBJ-UHFFFAOYSA-N 180.207 0.316 50 50 ACGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2C12CC2 105340188 KPGJKBBMROFHML-NGJRWZKOSA-N 190.198 0.898 50 50 ACGA CC(C)(C)c1ccc(B(O)O)cn1 199616826 YPVRENWHCBDGTR-UHFFFAOYSA-N 179.028 0.059 50 50 ACGA NC(=O)NN=C1[C@H]2C=C[C@@H]3C=C[C@@H]1[C@H]23 254524624 NHAJRYJJEDMZNJ-KVFPUHGPSA-N 189.218 0.629 50 50 ACGA O=C(Cl)c1cnon1 115174414 RDMKWOJHAYRKCF-UHFFFAOYSA-N 132.506 0.449 50 50 ACGA in-vitro CC(C)NCC(=O)Cl 230553077 VHRRFKJZMLUJRO-UHFFFAOYSA-N 135.594 0.750 50 50 ACGA NNC(=O)CSc1ccccn1 108118 ZZUOHZYYLVJLEX-UHFFFAOYSA-N 183.236 0.164 50 50 ACGA in-vitro O=C=NC(=O)Cl 4528639 VBBUFMFZDHLELS-UHFFFAOYSA-N 105.480 0.681 50 50 ACGA O=C1OC(=O)[C@]23CCC[C@@]12C3 196611049 YZVPBMKQLHYKHR-HTQZYQBOSA-N 152.149 0.630 50 50 ACGA OB(O)c1cc(F)ccc1Cl 169745594 OVTZJDSREVDCTJ-UHFFFAOYSA-N 174.367 0.159 50 50 ACGA OB(O)c1cccc(OCCCF)c1 196236666 XWYJXAFWBGCCBK-UHFFFAOYSA-N 198.002 0.105 50 50 ACGA CCOC(=O)C[C@@H](O)CCl 2558233 ZAJNMXDBJKCCAT-RXMQYKEDSA-N 166.604 0.539 50 50 ACGA in-vitro CCOC(=O)NCCCl 1676154 QHSHDVYEJKLXLB-UHFFFAOYSA-N 151.593 0.971 50 50 ACGA in-vitro CCCCN(N)C(=O)CC 757127008 JNMVJOSCEUIBGX-UHFFFAOYSA-N 144.218 0.899 50 50 ACGA NNC(=O)[C@@H]1C[C@@H]1c1ccccc1 270477 LVPLGMIOSVEITG-RKDXNWHRSA-N 176.219 0.780 50 50 ACGA in-vitro O=C(CCl)NCCCl 1573672 VZCOHGQSOLWBEB-UHFFFAOYSA-N 156.012 0.580 50 50 ACGA COC(=O)N/N=C/c1ccco1 491891 LOCYHSQIBJXQAV-VMPITWQZSA-N 168.152 0.970 50 50 ACGA CCOc1ccccc1C(=O)NN 2146934 LADUENYEZHMRQH-UHFFFAOYSA-N 180.207 0.689 50 50 ACGA in-vitro C[S@@](=O)CCCN=C=S 4642678 LELAOEBVZLPXAZ-VIFPVBQESA-N 163.267 0.858 50 50 ACGA endogenous,in-man OB(O)CCCCBr 169904266 VYJXKSGBEKVCJK-UHFFFAOYSA-N 180.838 0.634 50 50 ACGA CO[Si](CCC#N)(OC)OC 195764114 KVUMYOWDFZAGPN-UHFFFAOYSA-N 175.260 0.778 50 50 ACGA O=C(O)C[C@@H](Br)C(=O)O 1757822 QQWGVQWAEANRTK-UWTATZPHSA-N 196.984 0.309 50 50 ACGA in-vitro CN1C[C@@H](C(=O)Cl)CC1=O 65336791 HPNQOUDCVFXCEP-BYPYZUCNSA-N 161.588 0.230 50 50 ACGA CN1C[C@@](C)(CCl)C1=O 950757290 PRUVHEIBYOLAAG-ZCFIWIBFSA-N 147.605 0.704 50 50 ACGA CCO/C(O)=C/C=O 725239854 MWXNSLPIOGPMDB-HWKANZROSA-N 116.116 0.621 50 50 ACGA CSC[C@@H](N=C=S)C(=O)O 757189697 TVPZHKIRLFOKNT-SCSAIBSYSA-N 177.250 0.905 50 50 ACGA Cc1cc(Cl)c(B(O)O)cc1F 169955366 XFHMSFKHEOXELL-UHFFFAOYSA-N 188.394 0.467 50 50 ACGA N#CC(=C=N)/C=C\[N+](=O)[O-] 334139277 AJRQFBUWMBBTRE-UPHRSURJSA-N 137.098 0.475 50 50 ACGA OB(O)c1cc(Cl)ncc1Cl 169744892 BEJJMDOFMZCRST-UHFFFAOYSA-N 191.810 0.068 50 50 ACGA in-vitro OB(O)CCOCc1ccccc1 170000770 HYSVICMYMOCJRW-UHFFFAOYSA-N 180.012 0.676 50 50 ACGA CCCC(=O)N(N)C(C)C 757131224 FIZKNIWGBXFBSY-UHFFFAOYSA-N 144.218 0.897 50 50 ACGA C/C(=N\NC(N)=O)c1ccccc1O 15827353 SLSXRIZAOSGASD-IZZDOVSWSA-N 193.206 0.785 50 50 ACGA COc1ccccc1CCC(=O)NN 32919583 GTVJORWOJRUHHQ-UHFFFAOYSA-N 194.234 0.618 50 50 ACGA [C-]#[N+]CCN(C)C 95686599 ZWBMLNOJOQRAMW-UHFFFAOYSA-N 98.149 0.467 50 50 ACGA Cc1ccc(Cl)cc1B(O)O 169745656 QWTHTSAWMJFMOV-UHFFFAOYSA-N 170.404 0.328 50 50 ACGA N#CC1=CCCC[C@H]1O 35904515 JGQMBKRQLBWMKJ-SSDOTTSWSA-N 123.155 0.981 50 50 ACGA CC1(C)CC(=O)OC(=O)C1 95738306 HIJQFTSZBHDYKW-UHFFFAOYSA-N 142.154 0.876 50 50 ACGA in-vitro COc1ccc2oc(B(O)O)cc2c1 169747524 XLIQZZGLIJLKTF-UHFFFAOYSA-N 191.979 0.121 50 50 ACGA in-vitro C[Si](C)(C)OCCN 169899401 LSSLIYHUUYSCLC-UHFFFAOYSA-N 133.267 0.797 50 50 ACGA in-vitro Cc1nc2nc(CCl)cc(O)n2n1 49584847 HQADKLNKMBIFPZ-UHFFFAOYSA-N 198.613 0.877 50 50 ACGA CNC(=S)NNC(=O)c1ccco1 75297 MMTJBTZNSLZVAT-UHFFFAOYSA-N 199.235 0.018 50 50 ACGA NNC(=O)Nc1ccccc1 157484 MOCKWYUCPREFCZ-UHFFFAOYSA-N 151.169 0.682 50 50 ACGA in-vitro O=C1C=C(C(F)(F)F)C(=O)O1 8100985 YBZPZJWPSHBGOR-UHFFFAOYSA-N 166.054 0.559 50 50 ACGA in-vitro COC(/C=C/C=O)OC 2556828 OJFHAFJGQZSFKT-ONEGZZNKSA-N 130.143 0.360 50 50 ACGA in-vitro OB(O)c1cc(F)c(F)cc1Cl 221252871 MSMGFPOBSXTDFW-UHFFFAOYSA-N 192.357 0.298 50 50 ACGA in-vitro Cc1cc(B(O)O)c(C)s1 169744968 RFQHMNWNEOZRLK-UHFFFAOYSA-N 156.015 0.045 50 50 ACGA in-vitro OB(O)c1c(Cl)ccc(F)c1F 198316949 RHNKPSDBENIMIS-UHFFFAOYSA-N 192.357 0.298 50 50 ACGA in-vitro O=CNNc1cccc(Cl)n1 1565404 WYTWCUFAJMZIPZ-UHFFFAOYSA-N 171.587 0.808 50 50 ACGA in-vitro O=C1OC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12 113433612 LQOPXMZSGSTGMF-ZTYPAOSTSA-N 166.176 0.732 50 50 ACGA Cc1cc(B(O)O)cc(C(C)(C)C)c1 169743996 XWWPIVKWAIMBMU-UHFFFAOYSA-N 192.067 0.972 50 50 ACGA in-vitro CC(C)OCc1cccc(B(O)O)c1 169926350 JODVPSKKFKJSSN-UHFFFAOYSA-N 194.039 0.291 50 50 ACGA in-vitro CC(C)Oc1cc(B(O)O)ccc1F 169995368 MKRGSEQMUWEXSB-UHFFFAOYSA-N 198.002 0.293 50 50 ACGA in-vitro CCCCC(=O)NN 1753297 PJBQYCIDGYKEMN-UHFFFAOYSA-N 116.164 0.167 50 50 ACGA in-vitro CCCCC[C@H](O)CCC(=O)NN 2033526 BIFDFFFGPJHPQC-QMMMGPOBSA-N 188.271 0.698 50 50 ACGA NC(=O)C(Cl)(Cl)CCl 1736749 NAXPJDCDIPVXNE-UHFFFAOYSA-N 176.430 0.884 50 50 ACGA in-vitro CCC[C@H](NC(=O)CCl)C(=O)O 1690014 KWMCURFIQFSPEW-YFKPBYRVSA-N 193.630 0.595 50 50 ACGA in-vitro NNC(=O)c1ccc([N+](=O)[O-])cc1F 42265942 VBKBYFJBAQFZGW-UHFFFAOYSA-N 199.141 0.337 50 50 ACGA COc1cccc2cc(B(O)O)oc12 169747531 DZPWZFCRQSOJOO-UHFFFAOYSA-N 191.979 0.121 50 50 ACGA in-vitro C=CCCOc1ccccc1B(O)O 203529146 MVCOJELFIBMARL-UHFFFAOYSA-N 192.023 0.321 50 50 ACGA in-vitro OB(O)c1cccc(C2CC2)c1F 238649572 JMUQOWZPVIAOCI-UHFFFAOYSA-N 179.987 0.383 50 50 ACGA OCCOCCCl 1641057 LECMBPWEOVZHKN-UHFFFAOYSA-N 124.567 0.234 50 50 ACGA in-vitro O=CC1=COCCC1 3884197 WWZVSCJTMPYTLY-UHFFFAOYSA-N 112.128 0.880 50 50 ACGA in-vitro O=C(O)[C@@H](F)Br 16082616 ICTXGKNZADORBH-PVQJCKRUSA-N 156.938 0.762 50 50 ACGA in-vitro Br[C@H]1CCNC1 39095069 UKYCQJXBNJJMDX-BYPYZUCNSA-N 150.019 0.743 50 50 ACGA in-vitro NNC(=O)Cc1ccc(F)cc1F 52508156 UDWLEGFCVKEEHS-UHFFFAOYSA-N 186.161 0.497 50 50 ACGA in-vitro Cn1cnnc1CBr 83236066 HEKBZSXXDCWFLQ-UHFFFAOYSA-N 176.017 0.710 50 50 ACGA OB(O)c1ccc(Cl)s1 169743229 JFCLNCVCDFUJPO-UHFFFAOYSA-N 162.406 0.081 50 50 ACGA in-vitro O=CN/N=C/c1ccccc1O 1710916 ACICHHRSFBFNPI-WEVVVXLNSA-N 164.164 0.472 50 50 ACGA O=CC1=COCCO1 6855242 GXZRZOIXFFDVTD-UHFFFAOYSA-N 114.100 0.074 50 50 ACGA in-vitro OB(O)c1ccc(C(F)F)cc1 169746444 BKHBDGFRIWAUKK-UHFFFAOYSA-N 171.939 0.304 50 50 ACGA in-vitro CCC/C=C/B(O)O 169746985 SYKWJOZHNDPWIM-SNAWJCMRSA-N 113.953 0.355 50 50 ACGA CCCOC(=O)N(N)c1ncccn1 757126466 GAHZGYGZHDFSIA-UHFFFAOYSA-N 196.210 0.703 50 50 ACGA CCS(=O)(=O)CCl 95740515 QYCHOJSGDMANGO-UHFFFAOYSA-N 142.607 0.617 50 50 ACGA in-vitro O=C(CCl)N[C@@H]1CCCNC1 642886330 CUAZWICYIHVELO-ZCFIWIBFSA-N 176.647 0.093 50 50 ACGA CN(C)C(=O)N(N)C1CCOCC1 757132461 SRSAFQAFGPKWMS-UHFFFAOYSA-N 187.243 0.023 50 50 ACGA N#CS[C@@H]1C=CS(=O)(=O)C1 3865117 FPVZCZACFVXKAJ-RXMQYKEDSA-N 175.234 0.511 50 50 ACGA in-vitro CSCc1cccc(B(O)O)c1 169926384 CMGUNBLXFYIALN-UHFFFAOYSA-N 182.053 0.229 50 50 ACGA CC(C)Cc1cccc(B(O)O)c1 216040557 XBMYWKQRGMFPKZ-UHFFFAOYSA-N 178.040 0.565 50 50 ACGA CO[C@@H](C)C(=O)Cl 6020032 NBEMORIANHKPTH-VKHMYHEASA-N 122.551 0.787 50 50 ACGA O=C=NCC1CCOCC1 12370813 XCDQATXIFBTOMP-UHFFFAOYSA-N 141.170 0.749 50 50 ACGA in-vitro C=CCOc1cccc(C(=O)NN)c1 16138461 IALBFDOKWWZYGE-UHFFFAOYSA-N 192.218 0.855 50 50 ACGA COc1cc([C@H](O)C#N)ccc1O 85545914 VHGYYIXSLHYRBH-MRVPVSSYSA-N 179.175 0.958 50 50 ACGA CC1=C(C=O)[C@H](C)n2ncnc2N1 160483581 DBYVMSTVSNTPQW-LURJTMIESA-N 178.195 0.738 50 50 ACGA CC1=NO[C@@H](CNC(=O)CCl)C1 1775988910 QDCPWMGYPOPNNR-ZCFIWIBFSA-N 190.630 0.506 50 50 ACGA Cc1cc(B(O)O)c2ncccc2c1 169934569 SGPCPGDEXRWIEN-UHFFFAOYSA-N 187.007 0.223 50 50 ACGA in-vitro CCOc1cc(C)c(B(O)O)c(C)c1 169748071 GXRDZDWVEGEKPC-UHFFFAOYSA-N 194.039 0.382 50 50 ACGA in-vitro C=C(C)C(=O)OCCN=C=O 2034457 RBQRWNWVPQDTJJ-UHFFFAOYSA-N 155.153 0.442 50 50 ACGA in-vitro O=C1OC(=O)[C@@]23CCC[C@]12C3 196611033 YZVPBMKQLHYKHR-YUMQZZPRSA-N 152.149 0.630 50 50 ACGA NN(C(=O)C1CCC1)c1ncccn1 757129457 WTIXYZSCKGPCOU-UHFFFAOYSA-N 192.222 0.483 50 50 ACGA COC(=O)NNC(=O)c1ccccc1 492106 OGBVOMRWWLBASF-UHFFFAOYSA-N 194.190 0.687 50 50 ACGA CC(=O)N(N)CC1CCC1 757132978 ZOFHIAYPDRSXFV-UHFFFAOYSA-N 142.202 0.509 50 50 ACGA CS(=O)(=O)CCCl 1732780 DKWNYTKOLIZNAX-UHFFFAOYSA-N 142.607 0.270 50 50 ACGA in-vitro COCCCNC(=O)CCl 3268013 PAPAAHYQIUKDQT-UHFFFAOYSA-N 165.620 0.378 50 50 ACGA in-vitro OB(O)c1coc2ccccc12 169744820 DFUGYZQSDFQVPU-UHFFFAOYSA-N 161.953 0.113 50 50 ACGA in-vitro COC(=O)[C@@H](N=C=O)C(C)C 2556871 JCVZXXSBCISMLJ-LURJTMIESA-N 157.169 0.520 50 50 ACGA in-vitro OB(O)c1ccc(OCCCF)cc1 198065377 XMERFSIIVVHKCQ-UHFFFAOYSA-N 198.002 0.105 50 50 ACGA Cc1cc(=O)n(CCCl)c(=O)[nH]1 19090304 IEGSUEHWIBYJIW-UHFFFAOYSA-N 188.614 0.084 50 50 ACGA in-vitro CNCCCBr 38251002 NZWJRYHLFNPHFU-UHFFFAOYSA-N 152.035 0.991 50 50 ACGA C=C(C)C(=O)N(N)C1CCOCC1 757131018 ARAXLCLOVBMWTD-UHFFFAOYSA-N 184.239 0.444 50 50 ACGA N#CC(C#N)=CC[N+](=O)[O-] 1857666239 SMXVTAOICYEVRQ-UHFFFAOYSA-N 137.098 0.237 50 50 ACGA CC(=O)OC(C)=O 8585917 WFDIJRYMOXRFFG-UHFFFAOYSA-N 102.089 0.096 50 50 ACGA endogenous,in-man COC(=O)CC(=O)O[Si](C)(C)C 169795086 DPVCHJXFVHLEDC-UHFFFAOYSA-N 190.271 0.928 50 50 ACGA CCCCN(N)C(=O)OC 757129204 UHIBNUTVBGSBIH-UHFFFAOYSA-N 146.190 0.729 50 50 ACGA COCC(=O)Cl 1631211 JJKWHOSQTYYFAE-UHFFFAOYSA-N 108.524 0.398 50 50 ACGA CC(C)C(=O)C(=O)Cl 114299123 BAQRRRYYSFQKIF-UHFFFAOYSA-N 134.562 0.977 50 50 ACGA CC(C)c1cccc(B(O)O)c1 169746996 QSWLFBMVIGQONC-UHFFFAOYSA-N 164.013 0.490 50 50 ACGA in-vitro C=C(C)C(=O)N(N)CC(F)(F)F 757126512 HGYQUIAWTKJSIP-UHFFFAOYSA-N 182.145 0.827 50 50 ACGA C/C(=N/NC(N)=O)c1ccc(N)cc1 47575 SDKXJACVTWIKTG-SDQBBNPISA-N 192.222 0.661 50 50 ACGA O=C(NCCCl)n1cccn1 44676149 GUJCROHYTLTOCA-UHFFFAOYSA-N 173.603 0.680 50 50 ACGA in-vitro Cc1ccc(OCCB(O)O)cc1 170000843 ONYZWOPGMKWICU-UHFFFAOYSA-N 180.012 0.847 50 50 ACGA NNC(=O)Cn1cnc2ccccc21 1470748 BJUCERVOXBFHTI-UHFFFAOYSA-N 190.206 0.026 50 50 ACGA in-vitro CCC(=O)NNC(=O)OC(C)(C)C 306677714 ZQSOYUYQHRGXAA-UHFFFAOYSA-N 188.227 0.952 50 50 ACGA NNC(=O)C[C@@H](O)c1ccccc1 39409433 GSDOOFNWRLKUIN-MRVPVSSYSA-N 180.207 0.100 50 50 ACGA BrCCn1cnnc1 81947240 DIMSLOKUSYRKEA-UHFFFAOYSA-N 176.017 0.673 50 50 ACGA in-vitro CN(C)C(=O)N(N)C(C)(C)C 757128079 PLNCOVBYCNXGRR-UHFFFAOYSA-N 159.233 0.642 50 50 ACGA CNC(=O)[C@H](F)Br 12953854 MINFGRMBJUDPPR-REOHCLBHSA-N 169.981 0.423 50 50 ACGA in-vitro Cc1ccccc1O[C@@H](C)C(=O)NN 6319137 RNXKTJYPOWKABK-QMMMGPOBSA-N 194.234 0.752 50 50 ACGA in-vitro O=C(Cl)[C@H]1CCOC1 34206583 RVMFDSHMPBPWRK-BYPYZUCNSA-N 134.562 0.788 50 50 ACGA in-vitro O=C1OC(=O)[C@@H]2[C@H](Cl)[C@H](Cl)[C@H]12 100353768 SVWYPMPUZSZFRO-GNSDDBTRSA-N 195.001 0.531 50 50 ACGA CCOC(=O)CC(=O)Cl 2242607 KWFADUNOPOSMIJ-UHFFFAOYSA-N 150.561 0.705 50 50 ACGA in-vitro CCCOc1ccc(B(O)O)c(F)c1 169748178 TWMQLEDSDCTPRP-UHFFFAOYSA-N 198.002 0.294 50 50 ACGA in-vitro COc1cc(B(O)O)ccc1Cl 169745108 DZNNRXURZJLARZ-UHFFFAOYSA-N 186.403 0.028 50 50 ACGA in-vitro Cc1c(C)c(C)c(B(O)O)c(C)c1C 196954802 UJTUQGRGYLGFBX-UHFFFAOYSA-N 192.067 0.909 50 50 ACGA CN(N)C(=O)c1ccc(F)cc1 16082666 RINJRPOTTYANET-UHFFFAOYSA-N 168.171 0.771 50 50 ACGA in-vitro OB(O)c1ccccc1C1CC1 169807383 ZCLHRLDHXOWWBG-UHFFFAOYSA-N 161.997 0.244 50 50 ACGA in-vitro COc1cccc(C(=O)NN)c1 92248 VMZSDAQEWPNOIB-UHFFFAOYSA-N 166.180 0.299 50 50 ACGA in-vitro NNC(=O)Cc1cccc(Cl)c1 2562039 RTQCXLTUAIZZQP-UHFFFAOYSA-N 184.626 0.872 50 50 ACGA in-vitro N#CC1(O)CCCC1 95817364 JZHFFOQSXKDOSX-UHFFFAOYSA-N 111.144 0.815 50 50 ACGA in-vitro CC(C)Sc1ccc(B(O)O)cc1 169745419 FYJDSWBEPMIWEC-UHFFFAOYSA-N 196.080 0.867 50 50 ACGA in-vitro CC(C)=C(C#N)C(=O)O 4558302 IMCBZLGYAYZSAM-UHFFFAOYSA-N 125.127 0.931 50 50 ACGA in-vitro CNCCC[Si](OC)(OC)OC 169746904 DVYVMJLSUSGYMH-UHFFFAOYSA-N 193.319 0.474 50 50 ACGA in-vitro CCN1C(=O)CSC1=C(C#N)C#N 202145223 UVOQLYXMOFOJJE-UHFFFAOYSA-N 193.231 0.840 50 50 ACGA O=C(O)[C@H]1C[C@H]1CCl 212119220 UTMFMZALCNUPDJ-IMJSIDKUSA-N 134.562 0.946 50 50 ACGA C[C@@H](CN1CCCCC1)C(=O)NN 266161 HGHRYICUFKUZKH-QMMMGPOBSA-N 185.271 0.098 50 50 ACGA in-vitro Cc1ccc2cc(B(O)O)ccc2n1 169986703 MVMHGLOKEZYGNG-UHFFFAOYSA-N 187.007 0.223 50 50 ACGA in-vitro C=CCNC(=O)CCCl 1678737 YUENFBIGWWZQGS-UHFFFAOYSA-N 147.605 0.918 50 50 ACGA in-vitro CC(=O)N/N=C/c1ccc(O)cc1O 4365860 JTKWXLFCWBTNQY-BJMVGYQFSA-N 194.190 0.568 50 50 ACGA Cc1ccccc1CC(=O)NN 19391750 PXIBBWCIWDKIOP-UHFFFAOYSA-N 164.208 0.527 50 50 ACGA CC(C)Sc1cccc(B(O)O)c1 169951605 TYMJMLLQMVIAOG-UHFFFAOYSA-N 196.080 0.867 50 50 ACGA OB(O)c1cscc1C(F)F 616582953 RDSVNSIDBRMRFR-UHFFFAOYSA-N 177.968 0.366 50 50 ACGA Cc1ccccc1N[C@@H](C)C(=O)NN 26475924 XTHHTHBCPUPESA-QMMMGPOBSA-N 193.250 0.785 50 50 ACGA OB(O)c1cccc(C2CC2)c1 169807381 BFFVQXUPALEVGS-UHFFFAOYSA-N 161.997 0.244 50 50 ACGA in-vitro NNC(=O)c1cccc2cc[nH]c12 105393 NCFMBDUFIJHHAW-UHFFFAOYSA-N 175.191 0.771 50 50 ACGA in-vitro COc1cc(Cl)ccc1B(O)O 169745376 NZRRMTBNTSBIFH-UHFFFAOYSA-N 186.403 0.028 50 50 ACGA in-vitro N[C@@H](CCBr)C(=O)O 4202327 LMYNKFDVIZBWDF-VKHMYHEASA-N 182.017 0.183 50 50 ACGA in-vitro N#C[C@H](O)c1ccc(O)cc1 8100933 HOOOPXDSCKBLFG-QMMMGPOBSA-N 149.149 0.949 50 50 ACGA in-vitro CC(C)(C)/C=C/B(O)O 169745447 CTIWKIMYFQSVBZ-SNAWJCMRSA-N 127.980 0.601 50 50 ACGA Cc1cc(B(O)O)ccc1OC(C)C 169745558 XRGBZDZYYQVOJZ-UHFFFAOYSA-N 194.039 0.462 50 50 ACGA in-vitro CN(C)/C=C/C=O 2567937 RRLMPLDPCKRASL-ONEGZZNKSA-N 99.133 0.261 50 50 ACGA in-vitro N#Cc1ccc(B(O)O)c(F)c1Cl 1772572516 HLRWDZDGKJTUCS-UHFFFAOYSA-N 199.377 0.031 50 50 ACGA NNC(=O)[C@H]1C[C@H]2C=C[C@@H]1C2 1727394 NIRDHUZRLXGYPG-XVMARJQXSA-N 152.197 0.189 50 50 ACGA ClCCn1cncn1 19089269 UBSIYQGXRKNEJP-UHFFFAOYSA-N 131.566 0.517 50 50 ACGA in-vitro C=C(C)C(=O)N[C@H](O)C(Cl)Cl 101369050 DRCBFWAGDVCAKZ-ZCFIWIBFSA-N 198.049 0.801 50 50 ACGA COc1cccc(B(O)O)c1Cl 169747161 ZDWONVAXOXYOJK-UHFFFAOYSA-N 186.403 0.028 50 50 ACGA N#CC1=C(N)CCC1 406418 NSMYBPIHVACKQG-UHFFFAOYSA-N 108.144 0.907 50 50 ACGA Cc1ccsc1C(=O)NN 2576189 MVROGAXPQMISQI-UHFFFAOYSA-N 156.210 0.660 50 50 ACGA in-vitro COC[C@@H](Br)C(=O)OC 6385443 NVBLRKGCQVZDMQ-SCSAIBSYSA-N 197.028 0.569 50 50 ACGA CC(C)(C)Oc1ccc(B(O)O)cc1 169806769 OKHCKPPOCZWHRN-UHFFFAOYSA-N 194.039 0.544 50 50 ACGA in-vitro