smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N#Cc1ccccc1C(=O)c1cccnc1Cl 2392665 QFTQYBQPFCULKQ-UHFFFAOYSA-N 242.665 2.838 30 40 BFEB CC(=O)CC(F)(C(F)(F)F)C(F)(F)F 2555650 OEZFTDXFKXGZEW-UHFFFAOYSA-N 226.091 2.798 30 40 BFEB N#Cc1cc(N)c(Nc2ccccc2)cc1C#N 2770736 YHBUVSOBPAXFTE-UHFFFAOYSA-N 234.262 2.756 30 40 BFEB CC(C)(C)OC(=O)NCC#Cc1ccccc1 32627900 CSCSNLXJEKWVDO-UHFFFAOYSA-N 231.295 2.563 30 40 BFEB N#CCc1ccc(Cl)c2cccnc12 68590212 PTDNAOURFVQYHA-UHFFFAOYSA-N 202.644 2.954 30 40 BFEB COc1ccccc1-c1ccc(/C=N/O)o1 100102075 UHXZYLPOMAITGU-MDWZMJQESA-N 217.224 2.763 30 40 BFEB C=C[C@@H](C)OC(=O)c1cc(C)n(C(C)(C)C)n1 187581479 SFUDAGCOYPTYED-SNVBAGLBSA-N 236.315 2.678 30 40 BFEB CCCn1c(C#N)ccc1Cc1ccco1 226031233 WBGTUTNKPYFEPG-UHFFFAOYSA-N 214.268 2.954 30 40 BFEB COC1=C/C(=N\O)[C@]2(C)CC[C@H]1C2(C)C 4266966 ACVXVSZJBOCMOY-SOGVMHIRSA-N 209.289 2.803 30 40 BFEB C[C@@H](c1ccccc1)n1ccnc1CC#N 5890186 VVYSZQGNFYGCFX-NSHDSACASA-N 211.268 2.558 30 40 BFEB CC1CCN(Cc2ccccc2C#N)CC1 19439786 LDKYMSMCNTYMET-UHFFFAOYSA-N 214.312 2.790 30 40 BFEB N#Cc1ccc(OCc2cccc(F)c2)c(N)c1 42410764 AEDFVRQVHZDXRG-UHFFFAOYSA-N 242.253 2.859 30 40 BFEB C=CCc1ccc(O[C@@H]2CCCNC2)c(OC)c1 42775542 BUBHBOVHYOIPOL-CYBMUJFWSA-N 247.338 2.555 30 40 BFEB O=CC1(c2ccc(Br)cc2)CC1 57516871 WNPUSMVNRHDNHG-UHFFFAOYSA-N 225.085 2.680 30 40 BFEB CCCCCCCCn1cc[n+](C)c1C 100040202 JXKFTCYRLIOPQE-UHFFFAOYSA-N 209.357 2.982 30 40 BFEB C[C@@H]1[C@@H]2C[C@H]([C@H]3[C@H]4C=C[C@@H](C4)[C@H]23)[C@@H]1C=O 103992746 IZLWCBCDUAJORE-DEIQZFIXSA-N 202.297 2.526 30 40 BFEB C=C1C[C@@H]2CC[C@H](C1)N2Cc1cnoc1C 852688481 UYURKQRJSLQLHD-BETUJISGSA-N 218.300 2.666 30 40 BFEB C=CCNC(=S)Nc1ccc(F)cc1Cl 3203453 LDNAHLGTPGSUJM-UHFFFAOYSA-N 244.722 2.952 30 40 BFEB CCOc1cc(/C=N/O)cc(Cl)c1OCC 11801034 SIJIYDWEUKZGFL-NTUHNPAUSA-N 243.690 2.946 30 40 BFEB N#Cc1ccc2c(ccn2Cc2cccnc2)c1 20479399 ROCJCJOJWXRPJD-UHFFFAOYSA-N 233.274 2.956 30 40 BFEB Cc1nc(N2CCc3ccccc32)ccc1C#N 72224979 KMDHDOMEFDWWDD-UHFFFAOYSA-N 235.290 2.956 30 40 BFEB CCN(CC#N)Cc1cccc(C)c1C 92398869 AOSPIBMEYWUEMS-UHFFFAOYSA-N 202.301 2.649 30 40 BFEB CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C#N)CC1 100006486 KOFJDBKWKCOOLP-PHIMTYICSA-N 238.331 2.841 30 40 BFEB COc1cc(/C=N/O)ccc1OCC(C)C 3344976 TZXIOBICRQBXTQ-NTUHNPAUSA-N 223.272 2.538 30 40 BFEB C(=N/n1cnc2ccccc21)\c1cccs1 7809951 KBTWNLTZJRWQPX-RIYZIHGNSA-N 227.292 2.980 30 40 BFEB N#CCNCc1ccc(-c2ccccc2)o1 22076476 VNTQFWLEHBTGAT-UHFFFAOYSA-N 212.252 2.560 30 40 BFEB FC1C(F)(F)C(F)(F)C(F)(F)C1(F)F 59442216 SOJZMJXWEOBDIC-UHFFFAOYSA-N 232.045 2.879 30 40 BFEB O=CC1(c2ccc(Cl)cc2)CCOCC1 84423358 VTGOHFNATLXBRV-UHFFFAOYSA-N 224.687 2.587 30 40 BFEB CCOC(=O)[C@]1(CC)O[C@@]12CCC[C@H](C)C2 86166015 VBLDDIDQBGIOFP-UHTWSYAYSA-N 226.316 2.677 30 40 BFEB OC1(C#Cc2ccc(F)c(F)c2)CCCC1 95631861 ZFIZZUHNQAUZPH-UHFFFAOYSA-N 222.234 2.621 30 40 BFEB CCCCOc1c(N)cc(C#N)n1CC(C)C 225874148 OYXBNEMKJJLONP-UHFFFAOYSA-N 235.331 2.777 30 40 BFEB CN(C)/C=C1/CCCC2(CCCC2)C1=O 2732250 QREVDCGJEUFCQB-KHPPLWFESA-N 207.317 2.745 30 40 BFEB C=CCOc1c(Cl)cc(/C=N/O)cc1OC 2990576 MYCDBJYLJNKAIS-NTUHNPAUSA-N 241.674 2.722 30 40 BFEB Cc1ccc(/N=C2/N=C(N)c3ccccc32)cc1 18158757 CYUAYNFKQWLQDD-UHFFFAOYSA-N 235.290 2.792 30 40 BFEB N#Cc1ccc(N[C@H]2C[C@H]2c2ccccc2)nc1 44416845 IWLNXDMOVXQCDA-KBPBESRZSA-N 235.290 2.921 30 40 BFEB N#CCN(Cc1ccccc1)Cc1ccco1 52660247 WOIKHTOVEQMLML-UHFFFAOYSA-N 226.279 2.805 30 40 BFEB CCC[C@H]1CCCN(C(=O)C(C)(C)C#N)CC1 70217641 CYULLYCHNFGBMB-LBPRGKRZSA-N 236.359 2.965 30 40 BFEB COCc1cc(C)nc(SC(C)C)c1C#N 409178493 IWOHKVIYLLAVTM-UHFFFAOYSA-N 236.340 2.909 30 40 BFEB N#Cc1cccc(-c2ccc(CN)cc2)c1 5763199 WJEFDSLARSPEKT-UHFFFAOYSA-N 208.264 2.684 30 40 BFEB N#CC1(C(=O)NCc2ccccc2F)CCCC1 7334389 PMOCPDMQLKVODM-UHFFFAOYSA-N 246.285 2.526 30 40 BFEB CCCOc1ccc(Cl)cc1/C=N/O 11957566 SNQWGKJYCBRBRL-KPKJPENVSA-N 213.664 2.937 30 40 BFEB Cc1ccc(CNc2ncccc2C#N)cc1 15131050 HMOVDALOWWHLBK-UHFFFAOYSA-N 223.279 2.874 30 40 BFEB Cc1ccc(/C(Cl)=C/C=[N+](C)C)s1 16348092 ASADPCUTXRITLY-TWGQIWQCSA-N 214.741 2.979 30 40 BFEB CC(C)[C@H](/N=C/c1ccc(Cl)cc1)C(=O)O 22062998 KRLMXLOGWRTQJP-NGPAHMQLSA-N 239.702 2.868 30 40 BFEB Cc1ccc(-n2cnc(Cl)c2C#N)cc1 40150500 BCWQLLJCKHBFSC-UHFFFAOYSA-N 217.659 2.706 30 40 BFEB N#Cc1ccnc2ccc(Br)cc12 83332123 HOQYOFUOKYUIRT-UHFFFAOYSA-N 233.068 2.869 30 40 BFEB COc1cccc(-n2cccc2C(=O)CC#N)c1 85396833 PARJOFUOVJDADR-UHFFFAOYSA-N 240.262 2.582 30 40 BFEB O=C(/C=C/Nc1ccccc1F)C(F)(F)F 100411335 UNXSUDIUJPYWBV-AATRIKPKSA-N 233.164 2.883 30 40 BFEB CC(=O)c1ccc(C#N)c(-n2cccc2)c1 1384323 RBOYSPLQMRWUAS-UHFFFAOYSA-N 210.236 2.552 30 40 BFEB c1ccc(N/N=C2\CCCCCN2)cc1 3213926 SUFSFDRRYIMJOV-UHFFFAOYSA-N 203.289 2.576 30 40 BFEB Cn1ccnc1SCc1cccc(C#N)c1 4804550 IHWSRRMQERSGRT-UHFFFAOYSA-N 229.308 2.584 30 40 BFEB CCc1cccc2c(OCC#N)ccnc12 64874819 PAVKZQBYPFEWJK-UHFFFAOYSA-N 212.252 2.700 30 40 BFEB CN(C)/C=N\Cc1ccccc1OC(F)(F)F 66032859 KDGFCKNYXGAXCE-NVNXTCNLSA-N 246.232 2.675 30 40 BFEB Cc1nc(N2CCc3ccccc3C2)ccc1C#N 72224925 ZLQIACWLKUVLPX-UHFFFAOYSA-N 249.317 2.824 30 40 BFEB N#Cc1ccc(N2C[C@@H]3CCC[C@H]3C2)cc1 129121405 AMVKEDQRQWRCNR-STQMWFEESA-N 212.296 2.795 30 40 BFEB COC(=O)N1C(C)=Cc2ccccc2[C@H]1C#N 1565136 ZCJCRAWZFKXDOB-GFCCVEGCSA-N 228.251 2.694 30 40 BFEB N#CCC[C@H](CC#N)C1([N+](=O)[O-])CCCCC1 1673745 XYWOIASCGPGSJO-LLVKDONJSA-N 235.287 2.800 30 40 BFEB N/C(S)=N/N=C/c1cc(Cl)cc(Cl)c1 1701550 OTKIBPHYGDDNDE-UUILKARUSA-N 248.138 2.572 30 40 BFEB in-vivo CC1=C(C)C(=O)c2cc(C)ccc2C1=O 5781983 LWWOWQZGAGVVEU-UHFFFAOYSA-N 200.237 2.710 30 40 BFEB biogenic C=C(C)CNC(=S)N[C@@H](C)c1ccccc1 6331010 MUIMBPLAYCIWLK-NSHDSACASA-N 234.368 2.788 30 40 BFEB CCc1ccc(N[C@@H](C#N)c2cnn(C)c2)cc1 12396536 FGEYTRYUEQOCID-AWEZNQCLSA-N 240.310 2.659 30 40 BFEB Cc1nnc(/N=C/c2ccc(N(C)C)cc2)s1 16363403 VNDJVZCWSOPVTG-MDWZMJQESA-N 246.339 2.663 30 40 BFEB COc1cccc(NC(=O)C2(C#N)CCCC2)c1 20962463 WYODLQFITWIDCO-UHFFFAOYSA-N 244.294 2.718 30 40 BFEB C=CCSc1nnc(-c2ccncc2)n1CC 58817860 GJGSDDBTXPYTMK-UHFFFAOYSA-N 246.339 2.638 30 40 BFEB CCn1c(CC#N)nc2cc(Cl)ccc21 71744338 MRKUZBOIXXXRSR-UHFFFAOYSA-N 219.675 2.776 30 40 BFEB N#CCNC(=O)Sc1cccc2cccnc12 6258358 WVUTWYOJACLMDZ-UHFFFAOYSA-N 243.291 2.560 30 40 BFEB CCc1nc(C#N)c(N/N=C/c2ccccc2)o1 8782821 GGZFNRVYAXTZMB-OQLLNIDSSA-N 240.266 2.555 30 40 BFEB C=CCCC(=O)c1cc(F)cc(OC)c1 382676788 VCSSIXNSMUFYAB-UHFFFAOYSA-N 208.232 2.983 30 40 BFEB C#CC(N)(c1ccccc1)c1ccccc1 32501212 RDYHBRPHXPDMHR-UHFFFAOYSA-N 207.276 2.522 30 40 BFEB N#C[C@H](c1ccco1)N1CCc2ccccc2C1 41280220 TWCKZNALWZQEPQ-CQSZACIVSA-N 238.290 2.903 30 40 BFEB CC(C)(NCC#N)c1ccc(F)cc1Cl 71907436 VRJFWVPXTUICAO-UHFFFAOYSA-N 226.682 2.827 30 40 BFEB Cc1ccc(-c2cc(CC#N)n[nH]2)cc1C 72220377 LBAKQKLVLMSFED-UHFFFAOYSA-N 211.268 2.760 30 40 BFEB COC(=O)/C(O)=C/C(=O)c1ccc(C(C)C)cc1 100010701 PPSBIQKUKYMZRR-JYRVWZFOSA-N 248.278 2.608 30 40 BFEB O/N=C/c1ccc(-c2ccccc2F)o1 101428925 HBGBUSNRAWATAS-NTUHNPAUSA-N 205.188 2.894 30 40 BFEB CO/N=C/c1cc(Br)ccc1F 135765398 LCABLQBLYCGYBH-VZUCSPMQSA-N 232.052 2.569 30 40 BFEB C[Si](C)(C)C#CC(=O)COCc1ccccc1 199547190 QNXUXGZDIORLTE-UHFFFAOYSA-N 246.382 2.653 30 40 BFEB N#Cc1cc(-c2ccc(Br)cc2)no1 508146 BTESZBBVNMWIHT-UHFFFAOYSA-N 249.067 2.976 30 40 BFEB N#Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 5558753 AMTOPALZRCUCLW-UHFFFAOYSA-N 240.237 2.950 30 40 BFEB CCOc1ccc(/C=N/Nc2ccncc2)cc1 6393526 APWGHDDQMPVTHL-LFIBNONCSA-N 241.294 2.926 30 40 BFEB C=C(C)COc1nc(CC)c2c(c1C#N)CCC2 12322931 IOKOUHAHKZDWOU-UHFFFAOYSA-N 242.322 2.959 30 40 BFEB O/N=C/c1cc(Cl)cc(Cl)c1O 16892077 SHGLQTKOGKFLAS-XCVCLJGOSA-N 206.028 2.507 30 40 BFEB CC(C)(C)C(=O)COc1cccc(C#N)c1 32738704 PYMZAGWSTRTKPY-UHFFFAOYSA-N 217.268 2.552 30 40 BFEB CC1=CC(=O)C[C@@]2(C)C[C@H]3OC(=O)C(C)=C3C[C@H]12 96908777 HVQUXKMKKKGSSD-NFAWXSAZSA-N 246.306 2.564 30 40 BFEB biogenic C=CC(C)(C)C1=C(O)c2ccccc2C(=O)C1=O 100204468 JYJKVJGVILZRBG-UHFFFAOYSA-N 242.274 2.933 30 40 BFEB O=C(/C=C1\NCCS1)c1ccc(Cl)cc1 100395437 AOYMCAPSEKJJEW-YRNVUSSQSA-N 239.727 2.701 30 40 BFEB C[C@@H]1C[C@H](C=O)c2ccccc2N1C(=O)C1CC1 217549321 AHDPIFMVEJIYBV-ZYHUDNBSSA-N 243.306 2.504 30 40 BFEB C=CCNC(=O)Nc1ccc2sc(C)nc2c1 408979899 SXYJQPVVWOYRNS-UHFFFAOYSA-N 247.323 2.912 30 40 BFEB NCCC/C(=N\Nc1ccccc1)C(F)(F)F 536948692 YNBMASUGULCFPZ-LICLKQGHSA-N 245.248 2.756 30 40 BFEB N#C[C@@H](Cc1cc(Cl)ccc1Cl)C(=O)O 585656350 XPFAEYGQQNHODO-SSDOTTSWSA-N 244.077 2.760 30 40 BFEB Cc1cccc(NC(=O)c2cccc(C#N)c2)n1 12545036 HRIDAJBBAATPGT-UHFFFAOYSA-N 237.262 2.514 30 40 BFEB in-vivo C/C=C(\CC)[C@](C#N)(CC)C(=O)OCC 16951861 BNJALDIQJCOAEB-SBKJXLNCSA-N 209.289 2.826 30 40 BFEB CC(=O)Oc1c(Cl)cc(Cl)cc1C#N 20157640 WWQBJNRPNYOGEN-UHFFFAOYSA-N 230.050 2.790 30 40 BFEB CN(Cc1ccc(C#N)cc1)Cc1ccco1 32667605 IGCCDADCYZGHAI-UHFFFAOYSA-N 226.279 2.783 30 40 BFEB C[C@@H](Nc1ccc(C#N)cn1)c1ccc(C#N)cc1 37502127 VZCLQEWLDGQZDR-LLVKDONJSA-N 248.289 2.998 30 40 BFEB C=CCNC(=O)Nc1cccc(Cl)c1F 40526673 HTLKKLFHLYXKHH-UHFFFAOYSA-N 228.654 2.787 30 40 BFEB N#Cc1ccc(OCc2ccccc2F)c(N)c1 42410786 SLCLTVXLCQURHJ-UHFFFAOYSA-N 242.253 2.859 30 40 BFEB CCO[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 42422279 GLCSIRRINDHYCQ-HNNXBMFYSA-N 244.338 2.559 30 40 BFEB N#Cc1ccc(C(=O)OCc2ccoc2)cc1 48765743 XLMUXXIHOOWJET-UHFFFAOYSA-N 227.219 2.508 30 40 BFEB CN1CCC(Nc2cccc(Cl)c2C#N)CC1 48936733 KXYFJOMIKZRPGR-UHFFFAOYSA-N 249.745 2.718 30 40 BFEB CC#CCNc1cc(C(C)=O)cc(C(C)=O)c1 97034874 WLYMYJBOICTFKO-UHFFFAOYSA-N 229.279 2.527 30 40 BFEB N#Cc1ccc(OC(=O)c2ccccc2)cc1C#N 53710 SXDJWZFTPLKQJW-UHFFFAOYSA-N 248.241 2.649 30 40 BFEB CCOc1ccccc1NC(C)(C)C#N 112037 ONQFZXZWFVGROB-UHFFFAOYSA-N 204.273 2.799 30 40 BFEB COc1cc(/C=[N+](\[O-])c2ccccc2)ccc1O 159379 ZFHHLFOGISCWQO-GDNBJRDFSA-N 243.262 2.662 30 40 BFEB N#Cc1cccc(/C=C/C(=O)Nc2cccnc2)c1 32647244 KQLZLLRELXANMC-VOTSOKGWSA-N 249.273 2.605 30 40 BFEB CC(C)(C=O)c1ccc(Br)cc1 34080928 WDCNOQSTJRGLOG-UHFFFAOYSA-N 227.101 2.926 30 40 BFEB N#Cc1nc(-c2ccccc2)cnc1Cl 34503766 VCLIHNVVBLRGLU-UHFFFAOYSA-N 215.643 2.669 30 40 BFEB CC(C)c1ccc(C2=CC(=O)C=CC2=O)cc1 70681154 KKPSZFNRXWUJNQ-UHFFFAOYSA-N 226.275 2.901 30 40 BFEB biogenic COc1ccc(F)cc1CSCC#N 96403363 YZMHZVMXHHEKDA-UHFFFAOYSA-N 211.261 2.591 30 40 BFEB C=C(C)[C@@H]1CC[C@@]2(C)[C@H](C1)[C@@](C)(O)CC[C@H]2O 257472326 LGKGTMWCBFNQHP-SEBNEYGDSA-N 238.371 2.891 30 40 BFEB biogenic,in-vitro N#Cc1cc(C(=O)C(F)(F)Cl)ccc1F 308838949 XSYOFBXHIVYUTM-UHFFFAOYSA-N 233.576 2.712 30 40 BFEB COc1ccc([C@@H](O)C#Cc2ccccc2)cc1 1410820 QSHXNMCFQNGRGO-INIZCTEOSA-N 238.286 2.780 30 40 BFEB Cc1ccc(C2=CC(=O)C=CC2=O)cc1Cl 1440280 GUSPFKVRCJWSQA-UHFFFAOYSA-N 232.666 2.740 30 40 BFEB O=C(CC(c1ccccc1)c1ccccc1)NO 41284889 KJWWMOZTYMOMEU-UHFFFAOYSA-N 241.290 2.714 30 40 BFEB CC(C)=N/N=c1/[nH]c2c(C)cccc2s1 45946589 QVBFAWHLTFXLQC-UHFFFAOYSA-N 219.313 2.834 30 40 BFEB C[C@@H](CC#N)N(C)Cc1ccc(F)cc1F 58575417 LTCUGWAVOCYJGF-VIFPVBQESA-N 224.254 2.699 30 40 BFEB CNc1sc2c(c1C#N)CC[C@@H](C)C2 62796686 QLWBJIJNQUXCBF-SSDOTTSWSA-N 206.314 2.786 30 40 BFEB c1cc2c3c(cccc3c1)/C(=N\OC[C@H]1CO1)C2 100667650 APUGRUXGWQEPQQ-HRZQKCLFSA-N 239.274 2.515 30 40 BFEB Cc1ccc(C(=O)CC#N)c(Br)c1 129537259 RCOVRUTUBSKIIY-UHFFFAOYSA-N 238.084 2.854 30 40 BFEB CCN1CCC[C@](C#N)(c2ccccc2)CC1 5698956 VGTIIMMLFBZHTQ-HNNXBMFYSA-N 228.339 2.954 30 40 BFEB O=[N+]([O-])c1ccc2c(c1)/C(=N\O)c1ccccc1-2 12339523 BAMLMBSOLTXBAZ-YPKPFQOOSA-N 240.218 2.802 30 40 BFEB O/N=C\c1c(-c2ccccc2)nc2sccn12 17127297 ZDHZMNLEASUBCM-JYRVWZFOSA-N 243.291 2.871 30 40 BFEB C=CCNC(=O)CCc1ccc(Cl)cc1 36393781 XDTHLHBXKNCUDJ-UHFFFAOYSA-N 223.703 2.575 30 40 BFEB Cc1ccccc1-n1ccnc1SCC#N 40024318 YLXGPFITERTWPG-UHFFFAOYSA-N 229.308 2.796 30 40 BFEB CCCC(=O)Nc1ccc(Cl)c(C#N)c1 53496599 KEPWDIITFWXFFS-UHFFFAOYSA-N 222.675 2.950 30 40 BFEB CC(C)[C@H](CCO)Nc1cccc(F)c1C#N 96427269 JQJVHEWUGFMTCL-LBPRGKRZSA-N 236.290 2.516 30 40 BFEB N#CCCN(Cc1ccccn1)[C@H]1C=CCCC1 96455341 GBIGFRRMTFDVCM-HNNXBMFYSA-N 241.338 2.906 30 40 BFEB Cc1ccccc1Cn1c(C#N)cc(N)c1Cl 225890127 PGXNEMAVHRXFCP-UHFFFAOYSA-N 245.713 2.952 30 40 BFEB N#CC[C@@](O)(c1ccc(Cl)cc1)C(F)F 1775953492 BVIFCBKMKILVFT-SNVBAGLBSA-N 231.629 2.706 30 40 BFEB O=C(C=Cc1ccccc1)CC(=O)C(F)(F)F 1857775675 CSOPVKUECMSWBR-UHFFFAOYSA-N 242.196 2.790 30 40 BFEB COc1cccc(CNc2ccc(C#N)cn2)c1 36398270 MQCMJELOPVWDML-UHFFFAOYSA-N 239.278 2.574 30 40 BFEB CC(C)(C)OC(=O)N1CCCC[C@@H]1CC#N 40448882 JWSIENSNGUDMIG-SNVBAGLBSA-N 224.304 2.690 30 40 BFEB C=C(C)CN(C)Cc1ccc(C#N)cc1 46528154 WUDIUXHCFVYZPI-UHFFFAOYSA-N 200.285 2.566 30 40 BFEB CN(C(=O)C=C(C1CC1)C1CC1)C1(C#N)CCC1 66321578 PWAJGMPVEJIEON-UHFFFAOYSA-N 244.338 2.637 30 40 BFEB CC(C)(O)CCOc1ccc(C#N)cc1Cl 92801244 LRGMUEOWCVPQEN-UHFFFAOYSA-N 239.702 2.751 30 40 BFEB C=C1CC[C@@H]2[C@H]([C@@H]3[C@@](C)(O)CC[C@@]13O)C2(C)C 238771698 NQLXWYSVHYWJDG-MYYUVRNCSA-N 236.355 2.501 30 40 BFEB O/N=C1\CCC=CCC[C@H]1N1CCCCC1 18036740 SIAYGCUYIOLJNN-JKZGZGMRSA-N 222.332 2.801 30 40 BFEB COc1ccc2[nH]c3c(c2c1)CCC/C3=N/O 40162809 QJGBCDCTUCRFQO-QINSGFPZSA-N 230.267 2.691 30 40 BFEB biogenic CC(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 83202736 FGSXZPRPTZMQTM-VOTSOKGWSA-N 219.240 2.833 30 40 BFEB CCc1nsc(SCCCCC#N)n1 83830542 HYABHVAOVLPFTE-UHFFFAOYSA-N 227.358 2.886 30 40 BFEB N#Cc1cccc(S[C@@H]2CCCC[C@H]2O)c1 93904389 YCSDBGTWRUKYCL-CHWSQXEVSA-N 233.336 2.954 30 40 BFEB CC1=NC(=N)S/C1=N\Nc1ccc(F)cc1 100490793 UBAYZIMUUXMBSR-LWKLEPQFSA-N 236.275 2.694 30 40 BFEB C=CCN(CC=C)C(=O)C(Cl)(Cl)Cl 159308 FCLMEOAIBNBGBX-UHFFFAOYSA-N 242.533 2.557 30 40 BFEB COC(=O)/C=C(C)/C(C)=N/c1ccccc1 16955234 TVNHBYXCEJTLBT-QDCWQMMGSA-N 217.268 2.898 30 40 BFEB N#C[C@H](NC1CCCC1)c1ccccc1 19986735 RGQSVZDPDCTCOS-ZDUSSCGKSA-N 200.285 2.783 30 40 BFEB C#Cc1cccc(NC(=O)CC[C@@H]2CCCO2)c1 32816497 KFWAMUGFHPUMKG-AWEZNQCLSA-N 243.306 2.566 30 40 BFEB N#C[C@@H]1CCCC[C@H]1OC(=O)c1ccoc1 71883864 OHSLNKRPXXEFTF-GXSJLCMTSA-N 219.240 2.519 30 40 BFEB CCCC[C@@H](O)C#Cc1cc(OC)ccc1OC 95632985 ZRHQMFMGTOREQW-CYBMUJFWSA-N 248.322 2.606 30 40 BFEB CCO[C@@H]1C[C@@H](N(C)CCC#N)C12CCCC2 96419753 ZBFVWFLWNHNFCC-CHWSQXEVSA-N 236.359 2.570 30 40 BFEB O=C1CC[C@@H](c2ccccc2)C/C1=C\O 100717880 XOLRQTFVYQIFJV-LWMMSDEHSA-N 202.253 2.965 30 40 BFEB N#Cc1cccc(Oc2ccnc(Cl)n2)c1 5750026 OOZDEYYWBGQNOC-UHFFFAOYSA-N 231.642 2.794 30 40 BFEB Nc1ccccc1/N=C/c1ccc2c(c1)OCO2 6402705 QKQFYLKENDVKEV-LZYBPNLTSA-N 240.262 2.748 30 40 BFEB C[C@H](c1ccccc1)n1ccnc1CC#N 13281743 VVYSZQGNFYGCFX-LLVKDONJSA-N 211.268 2.558 30 40 BFEB CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\[N+](C)(C)C 13404056 LHJOXNURTHMGAA-GEQRGXFDSA-N 222.352 2.602 30 40 BFEB N#Cc1ccccc1COC(=O)c1ccoc1 16158909 WFLJSEPDFOEIFA-UHFFFAOYSA-N 227.219 2.508 30 40 BFEB C=CCNCc1cc(Cl)cc(Cl)c1O 19875938 FUFCGCZEOSMUDF-UHFFFAOYSA-N 232.110 2.975 30 40 BFEB N#C[C@@H](C(=O)c1ccc(F)cc1)c1ccncc1 59687253 CLZJQEOIICYYMR-CYBMUJFWSA-N 240.237 2.711 30 40 BFEB FC(F)(Cl)C(F)(F)[C@]1(F)OC1(F)F 80440392 OOUGAPJYKWGUNR-REOHCLBHSA-N 232.482 2.742 30 40 BFEB C#CCOc1c(C(=O)OC)oc2c(C)cccc12 96510823 DWUYYQYSMKTNDU-UHFFFAOYSA-N 244.246 2.540 30 40 BFEB CC1(C)CC(=O)C=C(NNc2ccccc2)C1 100938039 KEYHJIKQNQSVMT-UHFFFAOYSA-N 230.311 2.876 30 40 BFEB CCCCCCCc1nnc(S)o1 2392237 XDBMHZSJUYNNQP-UHFFFAOYSA-N 200.307 2.871 30 40 BFEB N#Cc1ccsc1NC(=O)Cc1cccs1 6473040 RLDLZKHAUVOWTP-UHFFFAOYSA-N 248.332 2.862 30 40 BFEB Cc1ccccc1[C@@H](C#N)C(=O)C(C)C 36930510 CQEYZNWRNOMFDL-GFCCVEGCSA-N 201.269 2.827 30 40 BFEB C[C@H](NCC#N)c1ccc(C(F)(F)F)cc1 97230674 IQHFWTIYCNMCAZ-QMMMGPOBSA-N 228.217 2.880 30 40 BFEB CN(C)/C=C\C(=O)c1ccc(Cl)cc1 100255710 TWBABRJLWCBTBS-FPLPWBNLSA-N 209.676 2.598 30 40 BFEB C/C=C/C(=O)c1cc(F)c(F)cc1F 231142269 YFKZQIDXVNRFOQ-NSCUHMNNSA-N 200.159 2.863 30 40 BFEB C=CCc1cc(/C=N/O)cc(OCC)c1OC 409063421 BNKHANFEBZNBLK-NTEUORMPSA-N 235.283 2.631 30 40 BFEB CC(=O)c1cccc(Oc2ccncc2C#N)c1 685937771 QFHZMSSCUGTFEP-UHFFFAOYSA-N 238.246 2.948 30 40 BFEB Cc1cc(NC2=CC(=O)C[C@H](C(C)C)C2)no1 5212358 UAMVJVDKAWBCCN-SNVBAGLBSA-N 234.299 2.914 30 40 BFEB Cc1cc(C=O)c(C)n1-c1cccc(C#N)c1 19476094 SSUOVWFDDLWTMS-UHFFFAOYSA-N 224.263 2.778 30 40 BFEB C[C@@H](NCC#CC(C)(C)C)[C@@H](O)c1ccccc1 20654008 QHNZUAXYUSAKJQ-UKRRQHHQSA-N 245.366 2.748 30 40 BFEB CC1(C)CC(=O)C2=C(C1)O[C@]1(N)CCC[C@H]2C1 68564702 KDMVKKFCTZDLDP-LKFCYVNXSA-N 235.327 2.505 30 40 BFEB N#CC1(C#N)[C@H]2C=C[C@@H](C2)[C@@]1(Cl)C(F)(F)F 103005914 KRHAKENVBIAMEX-ZKWXMUAHSA-N 246.619 2.766 30 40 BFEB O=C1C=CC2=C3CC[C@@H]4CCC[C@H]4N3CCC2=C1 103283838 AFZUMYMXNCDSQR-XHDPSFHLSA-N 241.334 2.974 30 40 BFEB in-man C=CCCC(=O)c1ccc(F)c(OC)c1 168418252 PJBQGKOIOYABJK-UHFFFAOYSA-N 208.232 2.983 30 40 BFEB N#CCC(=O)c1cc(Cl)cc(Cl)c1O 228927926 STIOUOPXOAQFMC-UHFFFAOYSA-N 230.050 2.795 30 40 BFEB C=CCN1C(=O)C[C@H](C)[C@H](CCCCC)C1=O 2280134 BYHQNTXNZMFOEA-RYUDHWBXSA-N 237.343 2.764 30 40 BFEB C=CCN1C(=O)C[C@H](C)[C@@H](CCCCC)C1=O 2280135 BYHQNTXNZMFOEA-NWDGAFQWSA-N 237.343 2.764 30 40 BFEB C=CCNCCOc1ccc(C(C)C)cc1 4568349 JTCZLQRAMLLNPC-UHFFFAOYSA-N 219.328 2.964 30 40 BFEB C=CCN(CC=C)Cc1ccc(OC)c(OC)c1 4616866 FRNCBJHMDHLQPB-UHFFFAOYSA-N 247.338 2.878 30 40 BFEB O=C(/C=C\c1ccccc1)CCN1CCCC1 5838794 OKAPPVMIGFVSQH-HJWRWDBZSA-N 229.323 2.755 30 40 BFEB CN(CC#N)C(=O)c1cc(Cl)sc1Cl 69633115 WYDZBVNSFRRPTH-UHFFFAOYSA-N 249.122 2.650 30 40 BFEB CS[C@H]1CCC[C@H]1N(C)CCCCC#N 76147376 LWKZJABMWPGPEN-NEPJUHHUSA-N 226.389 2.896 30 40 BFEB COCC(F)(F)C(F)(F)C(F)(F)C(F)F 82099666 OHYJUFNURZXEOG-UHFFFAOYSA-N 246.097 2.804 30 40 BFEB C=CCC[C@H](NCC#N)c1ccccc1 95985479 WANYHZHPYVBEFZ-ZDUSSCGKSA-N 200.285 2.807 30 40 BFEB O=c1cccccc1NN=C1CCCCC1 523292 XADINUBCUPOOON-UHFFFAOYSA-N 216.284 2.779 30 40 BFEB N#Cc1ccc(C(=O)NCC2CCCCC2)cc1 3344286 ICDUXBOPCSBNLH-UHFFFAOYSA-N 242.322 2.868 30 40 BFEB CSc1nc2c(cc1C#N)C(=O)CC(C)(C)C2 4008339 MSDVAPVFIQZCHY-UHFFFAOYSA-N 246.335 2.830 30 40 BFEB Cc1c(O)ccc2c1O/C(=C\c1ccco1)C2=O 5390713 NPAJCGAJYRKEKV-GHXNOFRVSA-N 242.230 2.910 30 40 BFEB N#Cc1ccccc1-c1ccc(/C=C/C(=O)O)o1 22124240 NSCXZYHFUYNHCV-SOFGYWHQSA-N 239.230 2.916 30 40 BFEB N#CCN1CCC(Cc2cccc(F)c2)CC1 52007176 GBDRBPHRMHNPKT-UHFFFAOYSA-N 232.302 2.604 30 40 BFEB C=CCOc1cccc(NC(=O)C(C)C)c1 55714352 PWLHWNDLMYRILH-UHFFFAOYSA-N 219.284 2.846 30 40 BFEB C[C@@H](NCC#N)c1ccc(-c2ccncc2)cc1 95985735 VFSREUNMWQWKQX-GFCCVEGCSA-N 237.306 2.923 30 40 BFEB C=C(C)[C@]1(O)CCC[C@H]1NCc1ccccc1 226086392 UQSXDSTUFOJNCM-HUUCEWRRSA-N 231.339 2.636 30 40 BFEB CC[C@@H]1S/C(=N\c2cc(C)ccc2C)NC1=O 6870805 VFHPBQQNHUDGRS-NSHDSACASA-N 248.351 2.933 30 40 BFEB [O-]/[N+](=C\c1ccncc1)Cc1cccc(Cl)c1 12956840 OOHBILVOEWZNTL-SXGWCWSVSA-N 246.697 2.864 30 40 BFEB CCc1ccc(CCC(=O)N(C)CCC#N)cc1 58309384 UVEWFPVOEGTTDC-UHFFFAOYSA-N 244.338 2.554 30 40 BFEB C/C=C/C(N)=N/Nc1nc2ccccc2s1 80345614 OTEXYJYNIJROST-GORDUTHDSA-N 232.312 2.557 30 40 BFEB O=C1CCCC/C1=C\Nc1ccc(O)cc1 96129603 ZTOSJTIBKOCUCF-MDZDMXLPSA-N 217.268 2.831 30 40 BFEB C=C(C)CN(CC)C(=O)Nc1cc(C)ccn1 97372759 SKLZUEJHQSNJLB-UHFFFAOYSA-N 233.315 2.820 30 40 BFEB C=C(C)CNC(=O)Nc1ccccc1N(C)CC 195571178 ANWSWCNYUVLCKF-UHFFFAOYSA-N 247.342 2.840 30 40 BFEB CCCCOc1ccc(OC)cc1C#N 225287850 KBPWQATVVXCUCB-UHFFFAOYSA-N 205.257 2.746 30 40 BFEB CCCn1c(C#N)cc(N)c1CC(C)C 225851378 KJUVYVBKCOEKHF-UHFFFAOYSA-N 205.305 2.550 30 40 BFEB CC(C)=NNc1ncnc2c1[nH]c1ccccc12 1397143 OXSCMCPQHHLPQM-UHFFFAOYSA-N 239.282 2.919 30 40 BFEB N#C[C@@H](CN1CCCCC1)c1ccccc1 3633609 XAAVYEVTYRGXRW-AWEZNQCLSA-N 214.312 2.780 30 40 BFEB CCCCC[C@@H]1CC(=O)C=C(C)[C@H]1C(=O)OC 3881442 UCVHXLNJLVTIKO-DGCLKSJQSA-N 238.327 2.891 30 40 BFEB C(=N\OCCc1ccccc1)\c1ccncc1 4577927 KSSSPNXPNSIVQI-VBKFSLOCSA-N 226.279 2.675 30 40 BFEB C=C(C)CSc1n[nH]c2nc3ccccc3n12 6503391 MKWRNJLZVOTKLK-UHFFFAOYSA-N 244.323 2.879 30 40 BFEB [O-]/[N+](=C\c1ccncc1)CC1CCCCC1 12961608 HPHWZIOBBCIDRY-PTNGSMBKSA-N 218.300 2.591 30 40 BFEB C=C(C)CN(CC)C(=O)c1ccccc1COC 46195512 ANGCIQKWFCAEOV-UHFFFAOYSA-N 247.338 2.871 30 40 BFEB CCOC(=O)[C@]1(CC)OC12CCCCCC2 86166170 NDGADRDOBDCOKP-ZDUSSCGKSA-N 226.316 2.822 30 40 BFEB C#CC[C@H](OC(=O)c1scnc1C)C(C)C 95406076 MRZCRODZTYLQHF-JTQLQIEISA-N 237.324 2.656 30 40 BFEB C[C@@H](C#N)N1CCC(Sc2ccccn2)CC1 96502083 IWIDXTBYWYWEKH-NSHDSACASA-N 247.367 2.550 30 40 BFEB N#CC(Cl)(Cl)c1ccc(F)cc1 521399005 GCFIAZJBRQOVHP-UHFFFAOYSA-N 204.031 2.980 30 40 BFEB CCOC1=C(CC)C(=O)c2ccccc2C1=O 1580403 CNUOYYIPHHBFCN-UHFFFAOYSA-N 230.263 2.766 30 40 BFEB CC[C@@]1(c2ccccc2)O[C@@H]1C(=O)OCC(C)C 1734118 LOADONCHAMQULE-HIFRSBDPSA-N 248.322 2.890 30 40 BFEB CC1=C2CC[C@]2(C)[C@@]2(O)CC(C)(C)C=C2C1=O 14507430 BTEVYXQGBSRQMD-LSDHHAIUSA-N 232.323 2.773 30 40 BFEB biogenic CCC(C)(C)[C@@H]1CCc2[nH]c(=O)c(C#N)cc2C1 43404451 FWVFHRCRZXSAJN-GFCCVEGCSA-N 244.338 2.788 30 40 BFEB in-vitro COc1cc(C)c(Br)c(C)c1C#N 57339646 DUFZCSHEUIEPDT-UHFFFAOYSA-N 240.100 2.946 30 40 BFEB Cc1ccccc1COc1ncccc1C#N 585655001 QHRZUEJNAIHMBA-UHFFFAOYSA-N 224.263 2.841 30 40 BFEB C=C1N(C)c2cc([N+](=O)[O-])ccc2C1(C)C 3227036 RCWAYMDOJVHIRV-UHFFFAOYSA-N 218.256 2.836 30 40 BFEB C=CCNC(=O)Nc1cn(CC)c2ccccc12 5265988 CJGKFPILSLNMAF-UHFFFAOYSA-N 243.310 2.969 30 40 BFEB C[C@H]1CCCCN1CC#CCN1CCCC[C@H]1C 5742837 DTWOOFHEPRSPPW-IYBDPMFKSA-N 248.414 2.739 30 40 BFEB C[C@H](CN(C)C)C(=O)/C=C\c1cccc(F)c1 17175546 ORZYYCXOZVDYBY-SKVAFPRGSA-N 235.302 2.606 30 40 BFEB N#Cc1ccccc1NCc1cccnc1 19921420 KEMZLAVBKAYKNJ-UHFFFAOYSA-N 209.252 2.565 30 40 BFEB CCC(=O)/C(C)=C\NCc1ccccc1 24717436 ULAJWEQZTMJUTC-LUAWRHEFSA-N 203.285 2.659 30 40 BFEB C[C@@H](NC(=O)C1(C#N)CCCC1)c1ccccc1 26456208 DZOYEMSYYRERPR-GFCCVEGCSA-N 242.322 2.948 30 40 BFEB O=CCCCc1ccccc1Br 36405526 KPTHBSKNZZSKGN-UHFFFAOYSA-N 227.101 2.971 30 40 BFEB CC/C(=N\O)c1ccc(OCC(F)F)cc1 37756077 XQAUFEIVDNSZBS-GXDHUFHOSA-N 229.226 2.919 30 40 BFEB COC(=O)[C@]1(C)O[C@@]1(C)c1ccccc1Cl 85657731 AXURWAIICNXNSI-RYUDHWBXSA-N 240.686 2.517 30 40 BFEB N#Cc1cc(OCC(F)F)nc2ccccc12 122577260 LBTFDEPILJKMHS-UHFFFAOYSA-N 234.205 2.750 30 40 BFEB COC(=O)c1sc2ccccc2c1CC#N 1701107 VYSTXWVUJRTMSX-UHFFFAOYSA-N 231.276 2.754 30 40 BFEB CC1(C)CC(=O)[C@@]2(C)CCC(=O)C=C2C1 5124612 UQZLLFANGCIPNO-ZDUSSCGKSA-N 206.285 2.671 30 40 BFEB C[C@H](NCC#CC(C)(C)C)[C@@H](O)c1ccccc1 20654011 QHNZUAXYUSAKJQ-DZGCQCFKSA-N 245.366 2.748 30 40 BFEB COc1ccc(OCC#N)c(C(C)C)c1 59201674 VYWGSKTVJRQMBI-UHFFFAOYSA-N 205.257 2.721 30 40 BFEB Cc1ccc(Oc2ccc(C#N)cn2)cc1N 70453828 BAGSEJHJGMYNDK-UHFFFAOYSA-N 225.251 2.636 30 40 BFEB CC[C@@](C)(O)C#Cc1ccc(F)c(Cl)c1 95632852 CQFORFHHPOICPW-GFCCVEGCSA-N 226.678 2.992 30 40 BFEB O=C1c2ccccc2C[C@@]12O[C@@H]2c1ccccc1 159880 BPRSFVHQRNUUPG-HZPDHXFCSA-N 236.270 2.936 30 40 BFEB C=C(CNC(C)(C)C)C(=O)c1ccccc1 1570621 YUPVNIGQCFOHNH-UHFFFAOYSA-N 217.312 2.814 30 40 BFEB C=CCNC(=O)CCSCc1ccccc1 7685579 UAYNQLKMJOIPPA-UHFFFAOYSA-N 235.352 2.612 30 40 BFEB C[C@H]1CCC[C@@H](C)N1/N=C/c1ccc(O)c(O)c1 12433196 YSLIHMORGMIAII-NVDORQAPSA-N 248.326 2.695 30 40 BFEB C#CCNC(=O)c1cc2c(s1)CC[C@H](CC)C2 22761311 YCCSUHKCLRVYHS-JTQLQIEISA-N 247.363 2.626 30 40 BFEB COc1cccc(C=O)c1OCCCCC#N 49578623 KSLXCRBURPRMSB-UHFFFAOYSA-N 233.267 2.580 30 40 BFEB CC(C)C(=O)n1cc(C#N)c2ccccc21 49815132 SESOAUBJJSQPGS-UHFFFAOYSA-N 212.252 2.809 30 40 BFEB C=C(C)CNC(=S)Nc1cc(C#N)ccc1C 63875711 NTCVRNZLYWCSRL-UHFFFAOYSA-N 245.351 2.729 30 40 BFEB CCN(CCC#N)C(=O)Nc1ccccc1C 72309791 VWPAUSNCJZZZHX-UHFFFAOYSA-N 231.299 2.763 30 40 BFEB CCO[C@@H](C)OCC#Cc1cccc(F)c1 95632435 RGBHZCRTWCFLEO-LLVKDONJSA-N 222.259 2.576 30 40 BFEB C=CCC[C@H](C)N[C@@H]1CCOC(C)(C)C1 97375366 JPOXPGYEXYAHTR-NWDGAFQWSA-N 211.349 2.888 30 40 BFEB CC12C[C@H]3C[C@H](C1)CC(C(/C=N/O)=N/O)(C3)C2 100696215 SRKGMMGPXWMXFH-SYUVXLNUSA-N 236.315 2.883 30 40 BFEB CCCn1c(C#N)cc(N)c1N1CCC[C@H](C)C1 260825803 DLKYPWLTVNOFGS-NSHDSACASA-N 246.358 2.588 30 40 BFEB CC1(C)CC(=O)C=C(Nc2ccccn2)C1 246218 SGWKQYUGWYUIOG-UHFFFAOYSA-N 216.284 2.767 30 40 BFEB C#CCn1c(C(=O)OCC)cc2sc(C)cc21 1338244 CKGPJOLADUICGG-UHFFFAOYSA-N 247.319 2.821 30 40 BFEB CC(C)[C@H](C)NCc1ccc(C#N)cc1 20317208 VHZUEIRVAWBFNT-NSHDSACASA-N 202.301 2.692 30 40 BFEB CCCCC#C[C@H](O)c1ccccc1[N+](=O)[O-] 71624489 CMDHBOLRYWPUCA-ZDUSSCGKSA-N 233.267 2.822 30 40 BFEB C[C@@H](O)CC#Cc1ccc(Cl)c(F)c1 95633397 HROCHSGTDOYKJP-MRVPVSSYSA-N 212.651 2.602 30 40 BFEB O=C1CCC/C(=N\Nc2ccccc2)C1 100243327 ASBKHKGFGCNQJB-SDNWHVSQSA-N 202.257 2.598 30 40 BFEB CCCCCc1c(N)cc(C#N)n1CC 225851185 KFBKMWJBDFVVJO-UHFFFAOYSA-N 205.305 2.695 30 40 BFEB Cc1cc(NC(=O)OC(C)(C)C)ncc1C#N 306594732 SORHLXKACMQAQK-UHFFFAOYSA-N 233.271 2.609 30 40 BFEB C=C1CCCN(C(=O)[C@H]2CC=CCC2)C1 618254239 SMSNBBVFPARDFC-LBPRGKRZSA-N 205.301 2.521 30 40 BFEB C[C@@H]1CCc2cnc(Cl)c(C#N)c2C1 5528181 YKENCXYWERSXCW-SSDOTTSWSA-N 206.676 2.731 30 40 BFEB OCCCCC(F)(F)C(F)(F)C(F)(F)F 14628560 ZATDVKHJLFLLDD-UHFFFAOYSA-N 242.134 2.982 30 40 BFEB CC(C)CCNC(=O)Nc1ccc(C#N)cc1 32779386 GHQSIPGGXFRKSU-UHFFFAOYSA-N 231.299 2.726 30 40 BFEB CCCCc1ccc(C#CCCO)cc1 37470685 ROXRSHLZBRYHMI-UHFFFAOYSA-N 202.297 2.763 30 40 BFEB CC/C=C(\C)C(=O)N(C)Cc1cccc(C#N)c1 47643196 XXACJMFJUODERU-WUXMJOGZSA-N 242.322 2.873 30 40 BFEB CCOc1cccc(C(=O)/C=C/c2ncc[nH]2)c1 75134505 HSLCVPAXIHTGLH-VOTSOKGWSA-N 242.278 2.705 30 40 BFEB N#CCCN(CC1CC1)[C@@H]1C=CCCC1 78993140 YEDSSGUUMACNFF-CYBMUJFWSA-N 204.317 2.721 30 40 BFEB C=CC[C@@H](O)c1cc(F)c(F)c(OC)c1 95731570 GNAPIFPQQNPQLG-SECBINFHSA-N 214.211 2.583 30 40 BFEB C[C@H](Nc1cnn(C)c1)c1ccc(C#N)cc1F 157324870 WFSHEOOKZWMRDP-VIFPVBQESA-N 244.273 2.604 30 40 BFEB Cn1c2c(c3ccccc31)CCC/C2=N/O 322054 OOBXCCORQXSCMC-KAMYIIQDSA-N 214.268 2.693 30 40 BFEB CCCCCCCCCOCC(=O)OC 1566429 YMMCFIMCCZJJNR-UHFFFAOYSA-N 216.321 2.927 30 40 BFEB C/C(=N/Nc1nc(C)cc(C)n1)c1ccccc1 4718813 PRXAIKISHRXOCR-ATVHPVEESA-N 240.310 2.930 30 40 BFEB CCC(=O)/C=C\c1ccc(N(C)C)cc1 17104715 CLEHEFDSYKVXJQ-YFHOEESVSA-N 203.285 2.745 30 40 BFEB C=C[C@@H](N)c1ccc(C(F)(F)F)cc1 44138965 VQHLJBHRAVBSPS-SECBINFHSA-N 201.191 2.891 30 40 BFEB Cc1ccc(Oc2nccnc2C#N)cc1C 54379781 PHGZGCDCAGEMEU-UHFFFAOYSA-N 225.251 2.757 30 40 BFEB N#CCC(=O)Nc1ccc(N2CCCCC2)cc1 62996624 CCUCWDJBJQLGQZ-UHFFFAOYSA-N 243.310 2.529 30 40 BFEB C=CCN(CC=C)Cc1cn2ccccc2n1 69456337 BBBAGGKMCJPGID-UHFFFAOYSA-N 227.311 2.508 30 40 BFEB Cc1ccc2c(c1)C(=O)/C(=C/c1cnn(C)c1)C2 98009544 BJRYKOZXYPPCSV-AWNIVKPZSA-N 238.290 2.551 30 40 BFEB CC(C)/N=C/c1c(Cl)nc2sccn12 100329231 SEHZCCRATZCGKJ-VZUCSPMQSA-N 227.720 2.877 30 40 BFEB CCN(CC)CC#Cc1ccc(C)cc1 1243124 YGPYSYCWUZYHDN-UHFFFAOYSA-N 201.313 2.688 30 40 BFEB C[C@@H]1CCCCN1/C(S)=N\Cc1ccco1 13684164 XHXZCQVQDRSDJM-SNVBAGLBSA-N 238.356 2.940 30 40 BFEB COc1ccc(/N=C(/C)NC(C)C)cc1 17122811 BCBNQEJSOLUDHL-UHFFFAOYSA-N 206.289 2.743 30 40 BFEB N#C/C(=N\O)c1nc(-c2ccccc2)cs1 18036699 LFKRLVXIDDBPMG-NTEUORMPSA-N 229.264 2.512 30 40 BFEB Cc1nnc(NCCCC(C)C)c(C#N)c1C 26719551 UFWHBWDJGJDXHV-UHFFFAOYSA-N 232.331 2.813 30 40 BFEB CC(C)[C@H]1CCc2c(sc(N)c2C#N)C1 54554433 BQCQVQDGCIBEKF-QMMMGPOBSA-N 220.341 2.963 30 40 BFEB Cc1cc(/C=N/O)cnc1OCc1ccccc1 72222373 AXCGJEZWSXMODG-CXUHLZMHSA-N 242.278 2.777 30 40 BFEB CC(C)(C)OC(=O)N1CC[C@H](CCS)C1 84303445 NPJUGERPGXFQNG-SECBINFHSA-N 231.361 2.563 30 40 BFEB C/C(NCc1ccco1)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C 100749128 GVSUTPOSFVGGRI-FGEHYREYSA-N 245.322 2.888 30 40 BFEB biogenic CC1=NOC(=O)/C1=C/C=C\c1ccccc1 103756263 JHDGLWZMXLLMLW-JWAJRPJHSA-N 213.236 2.559 30 40 BFEB C#CCOc1ccc(C(C)(C)C)cc1C(=O)O 225283230 LSGATAFXERHDMC-UHFFFAOYSA-N 232.279 2.694 30 40 BFEB C=CCNC(=O)N[C@@H](C)c1cc2ccccc2o1 10035465 HINADZSZIXCJCT-JTQLQIEISA-N 244.294 2.979 30 40 BFEB N#CCCn1nc2c(c1C(F)(F)F)CCCC2 12395618 IDVRXPIATAZEBE-UHFFFAOYSA-N 243.232 2.694 30 40 BFEB C[C@@]1(Cc2ccccc2)CCC[C@H](C=O)C1=O 31938442 FBALOPTZGWJSJE-HIFRSBDPSA-N 230.307 2.804 30 40 BFEB C=CCCCC/N=C(\N)Nc1ccc(OC)cc1 252501537 UHCXIXLAEYZUHM-UHFFFAOYSA-N 247.342 2.778 30 40 BFEB O=C1c2ccccc2C[C@@]12O[C@H]2c1ccccc1 159879 BPRSFVHQRNUUPG-JKSUJKDBSA-N 236.270 2.936 30 40 BFEB CC(=O)C1=C(C)CCN(Cc2ccccc2)C1 1705703 WLMGBBHYWIMZIV-UHFFFAOYSA-N 229.323 2.798 30 40 BFEB C=CCN/C(S)=N/N=C(/C)c1cccs1 4056608 STCNTWPFXSDDHJ-WQLSENKSSA-N 239.369 2.534 30 40 BFEB C[C@@H]1CCCCN1C(=O)c1ccc(C#N)cc1 9364390 RWLSKEJQKBDFRT-LLVKDONJSA-N 228.295 2.573 30 40 BFEB C=C(Br)Cc1cccc(C)n1 43209578 QSQCEBBRKDSXOS-UHFFFAOYSA-N 212.090 2.841 30 40 BFEB Cc1cc(C(=O)/C=C/c2cnn(C)c2)c(C)o1 44894835 QSDIKMYIZFUFHX-SNAWJCMRSA-N 230.267 2.526 30 40 BFEB N#Cc1c(Br)cncc1C1CC1 91692726 FXBWXMNXNUKNLG-UHFFFAOYSA-N 223.073 2.593 30 40 BFEB C/C(=N\Nc1nc(C)c(C)s1)c1cccnc1 409054442 GEKOMNPMDVRLPG-OQLLNIDSSA-N 246.339 2.991 30 40 BFEB CC(=O)C(C(C)=O)=C1Sc2ccccc2N1C 264470 YOVIMCRIWSEEKH-UHFFFAOYSA-N 247.319 2.618 30 40 BFEB CCCCCCCCN1CCCNCC1 19366716 QWPYZFDONNNPSU-UHFFFAOYSA-N 212.381 2.642 30 40 BFEB CCc1ccc(C(=O)/C=C/N(C)C)cc1 82546012 GEIRJVRNPQVBNP-MDZDMXLPSA-N 203.285 2.507 30 40 BFEB C[C@H](c1cccs1)[S@@](=O)CCCC#N 97164052 OPDMCEMIXFXMNA-YMTOWFKASA-N 227.354 2.862 30 40 BFEB O=[N+]([O-])c1ccc(Cl)c(/C(Cl)=N/O)c1 226099398 JRMPJFJMJDZURY-YFHOEESVSA-N 235.026 2.623 30 40 BFEB Cc1cc(/C=N/c2cccnc2)c(C)n1C 408784861 UQTTXUMYZVCMFO-OVCLIPMQSA-N 213.284 2.788 30 40 BFEB CC(=O)Nc1ccc(/N=C/c2cccn2C)cc1 409093793 BQFUCWCDYQHJMI-XNTDXEJSSA-N 241.294 2.734 30 40 BFEB Cc1ccc(-c2nc(C#N)c(N(C)C)o2)cc1 544884 CCDAQEBWRIJINV-UHFFFAOYSA-N 227.267 2.588 30 40 BFEB O=C(/C=C/c1ccco1)c1ccc(O)cc1 4291713 UROHUHJEHDQADU-BQYQJAHWSA-N 214.220 2.881 30 40 BFEB CC(C)(C)C(=O)/C=C(/N)c1ccccc1 4663818 OHSZETKCDZUXMG-PKNBQFBNSA-N 203.285 2.601 30 40 BFEB C=CC[N+]1(CC#Cc2ccccc2)CCCC1 4952744 XZYKJFRNOFEZFD-UHFFFAOYSA-N 226.343 2.835 30 40 BFEB N#CCOC(=O)c1cc2ccccc2s1 6113045 XGENQYOLCGKBCQ-UHFFFAOYSA-N 217.249 2.582 30 40 BFEB N#CCOc1ccccc1C(F)(F)F 16698359 SKCVLGAJDDIMCX-UHFFFAOYSA-N 201.147 2.608 30 40 BFEB Cc1ccc([C@@H](C#N)N2CCC(C)CC2)o1 28291206 VCBAOVAMCAYNMQ-GFCCVEGCSA-N 218.300 2.885 30 40 BFEB Cc1ccccc1C1(C#N)CCC(=O)CC1 39251582 ALYQPOYEXMIQDZ-UHFFFAOYSA-N 213.280 2.900 30 40 BFEB N#Cc1c(Cl)nsc1NCC1CCC1 48558968 GWJWLGRHMVHSGZ-UHFFFAOYSA-N 227.720 2.880 30 40 BFEB Cc1nc(N2CCCCCC2)ccc1C#N 72224565 VDUNBWDPBQGKPJ-UHFFFAOYSA-N 215.300 2.642 30 40 BFEB N#CC(C#N)C(=O)c1cccc2ccccc12 77311539 LJEFDGSTKLVSJB-UHFFFAOYSA-N 220.231 2.686 30 40 BFEB in-vitro O=C(/C=C/c1ccccc1)[C@@]12CCCC[C@H]1O2 100019794 NGZQTNPQEMVTTL-SPZIKGKASA-N 228.291 2.981 30 40 BFEB Cc1cc(OCCCC#N)ccc1C#N 277414807 DYFWZPJRHPSVFF-UHFFFAOYSA-N 200.241 2.549 30 40 BFEB COc1ccc(OC[C@@H]2CO2)c(C(C)(C)C)c1 4200170 RRKQNGXFJBCGKI-NSHDSACASA-N 236.311 2.770 30 40 BFEB N#Cc1ccc(C(=O)Nc2ccccc2C#N)cc1 9218679 UOYGQWMKXSIWEN-UHFFFAOYSA-N 247.257 2.682 30 40 BFEB CS/C(=N\C#N)Nc1ccc(Cl)cc1 18083441 JQQYOBFMPUTSFR-UHFFFAOYSA-N 225.704 2.952 30 40 BFEB N#C[C@@]12CC[C@@H](CN1Cc1ccccc1)C2 32629220 WOBHGUPTSMHZQQ-KGLIPLIRSA-N 212.296 2.565 30 40 BFEB COc1ccc2cc(N=[N+]=[N-])c(=O)oc2c1 72219792 SJYOOSVPIOMCAS-UHFFFAOYSA-N 217.184 2.743 30 40 BFEB CCO[C@H](C)OCC#Cc1ccc(F)cc1C 95632299 OZLCRCMQUUAPQD-LBPRGKRZSA-N 236.286 2.885 30 40 BFEB Cc1ccc(C#C[C@H](O)C(C)C)c(C)c1 95633539 JTVYOWDTKNHAIY-AWEZNQCLSA-N 202.297 2.672 30 40 BFEB C=CCCC(=O)Nc1ccc2c(c1)nc(C)n2C 96432954 AJZROORLQBTADI-UHFFFAOYSA-N 243.310 2.786 30 40 BFEB CC1=C[C@@](C#N)(c2cccc(Br)n2)C1 1776011114 LENHUTWQGFRMSB-LLVKDONJSA-N 249.111 2.955 30 40 BFEB CC1(C)CC(=O)C(=C2SCCS2)C(=O)C1 330014 SZKLVSAQZKGYMB-UHFFFAOYSA-N 242.365 2.636 30 40 BFEB CC(C)(O)/C(=C\C(F)(F)F)SCCS 5259909 AZLGHYJKWYWWTN-AATRIKPKSA-N 246.319 2.867 30 40 BFEB N#C[C@H](Nc1ccccc1)c1cccnc1 6732158 LCJYDAGMDMNRFO-ZDUSSCGKSA-N 209.252 2.758 30 40 BFEB O=C(/C=C/c1ccncc1)c1ccc(O)cc1 9379491 BNQUTIKQLLGYQB-LZCJLJQNSA-N 225.247 2.683 30 40 BFEB N#Cc1ccccc1CO/N=C/c1ccco1 9452021 PLIOUCCQXAMIPG-OQLLNIDSSA-N 226.235 2.702 30 40 BFEB C/C(=N\Nc1ccc([N+](=O)[O-])cn1)C(C)(C)C 17302376 NSLRZVHITPZOFI-MDWZMJQESA-N 236.275 2.824 30 40 BFEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1C 20672526 GUARUBFYQWFRBJ-SECBINFHSA-N 241.294 2.886 30 40 BFEB C[C@@H]1Cc2c(sc(N)c2C#N)[C@H](C)C1 32231831 PXDPPMHKUSRDCG-NKWVEPMBSA-N 206.314 2.888 30 40 BFEB CC(C)(C)c1ccc(C#CCCO)cc1 37470680 NKRHYLCGOKTQNV-UHFFFAOYSA-N 202.297 2.718 30 40 BFEB CCOC(=O)[C@H]1O[C@]1(C)c1cccc(Cl)c1 85657673 YWRCSMUQTFFBJZ-ZYHUDNBSSA-N 240.686 2.517 30 40 BFEB Cc1cc(C)c(C#CC[C@@H](C)O)cc1C 95633894 UNTVVHBLPLGXMJ-CYBMUJFWSA-N 202.297 2.734 30 40 BFEB ClC1(Cl)C[C@H]2C[C@@H]1[C@H]1[C@@H]3C[C@H]([C@H]4O[C@H]34)[C@H]21 104077783 BWMSTIRGXBWAMA-OVEMKEKMSA-N 245.149 2.850 30 40 BFEB CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@@H]2C#N 575440903 WINXSOQPOOPJRB-MXWKQRLJSA-N 236.315 2.546 30 40 BFEB C=C1C(=O)O[C@@H]2C[C@H](C)C(/C=C\C(C)=O)=CC[C@@H]12 4983274 RBRPTFMVULVGIC-MWXCKUNPSA-N 246.306 2.586 30 40 BFEB endogenous,in-man C=CCSc1nncc2ccccc12 5382812 IBLVHWQWZPLRLD-UHFFFAOYSA-N 202.282 2.908 30 40 BFEB C[C@H]1CN/C(=N\c2ccc(F)cc2)S1 6114291 QAZPKSKUOOWBMI-ZETCQYMHSA-N 210.277 2.538 30 40 BFEB C=CCOc1ccc(/C=C/[N+](=O)[O-])cc1OCC 6844844 WINFMGQRYNNZTJ-BQYQJAHWSA-N 249.266 2.898 30 40 BFEB N#Cc1ccccc1COC(=O)c1ccsc1 7546875 IQTRUELUOBNBIN-UHFFFAOYSA-N 243.287 2.977 30 40 BFEB C/C(=N\O)c1c(C)c2ccccc2n1C 12341695 RVJWJNCNOGIBSO-UKTHLTGXSA-N 202.257 2.685 30 40 BFEB Cc1ccc(CC(=O)NC2(C#N)CCCC2)s1 69586571 KBDNDEHVSQZJHC-UHFFFAOYSA-N 248.351 2.552 30 40 BFEB C=CCCCNC(=O)OCc1ccccc1 91692302 ADWHHVAJOWURTN-UHFFFAOYSA-N 219.284 2.879 30 40 BFEB CC(C)(C)OC(=O)N1CCC[C@H](CCS)C1 95085222 IIQAZBPDSWTIGA-SNVBAGLBSA-N 245.388 2.953 30 40 BFEB C#Cc1cccc(C(=O)OC(C)(C)C)c1 95803942 SSDAUMHJIKPITN-UHFFFAOYSA-N 202.253 2.623 30 40 BFEB in-vitro CSc1sc(C#N)c(C)c1C(C)=O 125664 OOTXSMCMTVEYLB-UHFFFAOYSA-N 211.311 2.853 30 40 BFEB C=CCc1cc2c(cc1OCC)OCO2 1652132 NQROIQBHYPMXGV-UHFFFAOYSA-N 206.241 2.543 30 40 BFEB Cc1nc2ccccc2nc1SCC#N 29280987 DSSLCODRRCEISU-UHFFFAOYSA-N 215.281 2.554 30 40 BFEB N#Cc1c2c(c(C3CCCCC3)[nH]c1=O)CCC2 32072344 IZXZGBUIIMDIQD-UHFFFAOYSA-N 242.322 2.783 30 40 BFEB Cc1ccsc1-c1nnc(SCC#N)o1 69620020 BPGMPVITKDKMTR-UHFFFAOYSA-N 237.309 2.722 30 40 BFEB N#Cc1ccc(-c2cccc(CO)c2)s1 71791977 DKABHGUKEGNMPP-UHFFFAOYSA-N 215.277 2.779 30 40 BFEB N#CC1(c2cccc(C(F)(F)F)n2)CC1 95094268 ZMKIXQIEAJXVQB-UHFFFAOYSA-N 212.174 2.656 30 40 BFEB CCC(=O)OCC#Cc1ccc(CC)cc1 95632177 KTYLFXDQIFOTIE-UHFFFAOYSA-N 216.280 2.554 30 40 BFEB C=CC[C@H](C)[C@H](C)Nc1cnn(C)c1C 95991771 OXWNHTNHUVBLJB-UWVGGRQHSA-N 207.321 2.741 30 40 BFEB CCOC(=O)[C@H](C#N)/N=N/c1ccc(C)cc1C 103550045 QDBYTVYAHNJNIV-VVLLMFOMSA-N 245.282 2.842 30 40 BFEB N#CC(C#N)[C@@H](C#N)/C=C/c1ccccc1 1706721 XXPBBNYOUHAIEJ-NNNHXZLVSA-N 207.236 2.503 30 40 BFEB CCCCNC(=O)Nc1ccc(C)c(C#N)c1 2534579 CFKBCZHXVSOIDP-UHFFFAOYSA-N 231.299 2.788 30 40 BFEB C=C(C)CNC(=S)NCCCc1ccccc1 6262212 CJXJMWAATNPOAX-UHFFFAOYSA-N 248.395 2.659 30 40 BFEB CC(C)(C)C(=O)/C=C/Nc1ccc2c(c1)OCO2 33795427 ASMFVLJEMWFGQK-VOTSOKGWSA-N 247.294 2.956 30 40 BFEB COC[C@@H](C)Nc1ccc(C#N)c(Cl)c1 53172919 ILBHAZHAXGDDSI-MRVPVSSYSA-N 224.691 2.658 30 40 BFEB C=CCOc1cccc(NC(=S)NC2CC2)c1 63790960 QODUYBLABNHUTB-UHFFFAOYSA-N 248.351 2.700 30 40 BFEB CCCCCCCNC(=O)c1ccc(N)cc1 100015410 BAGSEDXHMGGAQY-UHFFFAOYSA-N 234.343 2.969 30 40 BFEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/OC(=O)O)C2 100633967 OAFMMSVDHUDLTL-GEQGLWRUSA-N 211.261 2.883 30 40 BFEB CC(C)[C@@](C)(C#N)NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 104895276 WEGZHHBJAQPHKN-RMRHIDDWSA-N 248.370 2.867 30 40 BFEB Cc1ccc(NC(=O)C2(C#N)CC2)c(C)c1 156825382 CZTILXCXAASMGF-UHFFFAOYSA-N 214.268 2.546 30 40 BFEB CC(C)n1cc(Br)cc1C#N 226033363 QKFNUFGCDVJHNW-UHFFFAOYSA-N 213.078 2.703 30 40 BFEB N#Cc1ccc(OC(F)(F)Cl)cc1 2529889 BADKSUZGIXYOJL-UHFFFAOYSA-N 203.575 2.726 30 40 BFEB C=CCOc1ccc(C(=O)NC(C)(C)C)cc1 8073560 WJDJWDYYWDDNEL-UHFFFAOYSA-N 233.311 2.780 30 40 BFEB C=C1CC[C@@H](C(C)(C)O)[C@@H]2C[C@](C)(O)CC[C@@H]12 13381693 XJAINVPLNCHJSY-KYEXWDHISA-N 238.371 2.891 30 40 BFEB biogenic N#Cc1ccc(CN2CCOc3ccccc32)o1 97379094 FUCUBOMZOJHTSY-UHFFFAOYSA-N 240.262 2.550 30 40 BFEB O[C@]1(C#Cc2ccccc2)Cc2cccc(F)c21 3848057 YZJKRVNAWTYIJU-MRXNPFEDSA-N 238.261 2.621 30 40 BFEB biogenic Cc1ccc(/C=N/Nc2cccc([N+](=O)[O-])c2)o1 5754205 XHMZFRMHWXWVAF-MDWZMJQESA-N 245.238 2.942 30 40 BFEB C[C@@H](Cc1ccc(Cl)cc1)N(C)CC#N 76733390 IMKOSKRMKMLVLS-JTQLQIEISA-N 222.719 2.726 30 40 BFEB C=CCOc1cccc(NCc2nccn2C)c1 78975409 KXBKXOXKVPLEER-UHFFFAOYSA-N 243.310 2.597 30 40 BFEB CCCOC(=O)c1cccc(SCC#N)c1 79025364 MWBACUVVCNONBN-UHFFFAOYSA-N 235.308 2.869 30 40 BFEB CN(Cc1ccccc1)[C@@H]1CCC/C1=N/O 100986888 JBVCHBVTPISFPV-NXXVSJRMSA-N 218.300 2.501 30 40 BFEB Cc1cccc(-c2c(C#N)cnc3cc(C)nn23)c1 93458 WRLWUIPPNDCCGO-UHFFFAOYSA-N 248.289 2.885 30 40 BFEB C=C1C(=O)O[C@H]2C[C@H](C)C(/C=C/C(C)=O)=CC[C@@H]12 16953080 RBRPTFMVULVGIC-RXZXTNRSSA-N 246.306 2.586 30 40 BFEB biogenic,in-vitro N#Cc1ccc(CNCCc2cccs2)cc1 19948990 RFSWWYYPSQZGQQ-UHFFFAOYSA-N 242.347 2.952 30 40 BFEB N#Cc1ccc(OCCN2CCCCCC2)cc1 34651721 IRWFUDZCZQSKPK-UHFFFAOYSA-N 244.338 2.813 30 40 BFEB C[C@H]1CSC(SCCCC#N)=N1 89524519 NZRCOHNZTASDEN-ZETCQYMHSA-N 200.332 2.515 30 40 BFEB N#CC1(c2cnccc2C(F)(F)F)CC1 95094262 DRPVLHCIXDHJPF-UHFFFAOYSA-N 212.174 2.656 30 40 BFEB Cc1c(Cl)cccc1C#CC[C@H](C)O 95631603 GPXZLASIRCVIFD-VIFPVBQESA-N 208.688 2.771 30 40 BFEB N#Cc1cccc(CN2C[C@H]3CCC[C@@H]3C2)c1 148084794 WESRSVLKXDMEFP-HUUCEWRRSA-N 226.323 2.790 30 40 BFEB N#Cc1ccc(OC(F)F)cc1Cl 199754289 WBXJFRYWZLASKL-UHFFFAOYSA-N 203.575 2.813 30 40 BFEB FC(F)(Cl)[C@@](F)(Cl)C[C@H]1CO1 1681828 SWHAYLLTYQCEPK-IUYQGCFVSA-N 208.994 2.512 30 40 BFEB CO/N=C1/c2ccccc2-c2[nH]nc(C3CC3)c21 2561667 ASECNOWJPYNVKZ-VKAVYKQESA-N 239.278 2.666 30 40 BFEB CCc1ccc(/N=C2\NCCCS2)cc1 3268503 OSKCNZZSIHVFTH-UHFFFAOYSA-N 220.341 2.963 30 40 BFEB in-vitro N#Cc1cccc(C(=O)N2CCc3ccccc32)c1 3518722 DLOZZZRNBYVFNF-UHFFFAOYSA-N 248.285 2.761 30 40 BFEB CSc1nc(C)c2c(c1C#N)CCCC2 4082594 VHTIMOZQCIVHHY-UHFFFAOYSA-N 218.325 2.862 30 40 BFEB C[C@@H](O)c1cccc(N/C=C2/CCCC2=O)c1 6399196 WFMYEPBRDXODSX-WJEYQPDNSA-N 231.295 2.789 30 40 BFEB C=CCNCc1ccc(OCC=C)c(OCC)c1 8254457 NRFBGFRETCRXEQ-UHFFFAOYSA-N 247.338 2.926 30 40 BFEB CCn1c(SCCC#N)nnc1-c1ccco1 9883302 TWLZVXKLDQBMQU-UHFFFAOYSA-N 248.311 2.564 30 40 BFEB CC1=CC(=O)C=C/C1=N/C(=O)c1ccc(C)cc1 16779922 DBDDSYJPOMAMIL-PEZBUJJGSA-N 239.274 2.661 30 40 BFEB N#Cc1c([N+](=O)[O-])sc2ccccc12 39123429 TXCYUAKLWWCFEH-UHFFFAOYSA-N 204.210 2.681 30 40 BFEB N#CCN(CC1CCC1)c1ccccc1 78949943 NSKGZAQAEAZFND-UHFFFAOYSA-N 200.285 2.817 30 40 BFEB O/N=C1\CCc2cc(Br)ccc21 85667181 FKVWLYRRDKFLBM-PKNBQFBNSA-N 226.073 2.574 30 40 BFEB CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C#N)C1 95218138 KODINHTWTSHDJW-NXEZZACHSA-N 224.304 2.593 30 40 BFEB in-vitro CCO[C@@H](C)OCC#Cc1ccc(F)c(F)c1 95631844 RUMLOBUZBYCMNH-SNVBAGLBSA-N 240.249 2.715 30 40 BFEB Cc1cc(C#N)c(C)n1Cc1ccco1 223698955 RMEPBKIZOUVMCK-UHFFFAOYSA-N 200.241 2.618 30 40 BFEB N#Cc1ccc(Cl)c(C(F)(F)F)n1 307519099 VWLMAAUFRXIFTQ-UHFFFAOYSA-N 206.554 2.625 30 40 BFEB Cc1cc(C)nc(N/N=C/c2ccccc2F)n1 4880608 IDWFNRUQYRSLPH-OVCLIPMQSA-N 244.273 2.679 30 40 BFEB C=CCCCC[C@@H](O)CNCc1ccccc1 26897787 CPSQUBRAIRLFAS-OAHLLOKOSA-N 233.355 2.884 30 40 BFEB Fc1ccc(/C=N\Nc2nccs2)cc1 31854287 SNYMVGFMXFTEBQ-QPEQYQDCSA-N 221.260 2.728 30 40 BFEB Cc1ccc(F)c2c(OCC#N)ccnc12 64874861 GVAALFOGTFNDRM-UHFFFAOYSA-N 216.215 2.585 30 40 BFEB Cn1cc(CNc2c(Cl)cccc2C#N)cn1 89755789 AVCHLJFCCYJAPG-UHFFFAOYSA-N 246.701 2.557 30 40 BFEB Cc1ccc(Cl)cc1C#CC[C@H](C)O 95631756 GVCGCAJJEPMLGL-JTQLQIEISA-N 208.688 2.771 30 40 BFEB N#Cc1cccc(Cl)c1NCCn1ccnc1 95939853 OUGYITZMGUOCLC-UHFFFAOYSA-N 246.701 2.520 30 40 BFEB C=CCC[C@@H](C)NC1CCN(C2CC2)CC1 97375019 TWRWFNYLGKPZCH-GFCCVEGCSA-N 222.376 2.558 30 40 BFEB CC1=CC(=O)C=C/C1=N/c1ccc(N(C)C)cc1 100487201 IUCMTDKRLIEOCH-NXVVXOECSA-N 240.306 2.910 30 40 BFEB O/N=C(\c1ccccc1)[C@H]1C2C[C@@H]3C1[C@@H]3C2 100950826 GPCIBKLTPNYOQB-JNDUOMDQSA-N 213.280 2.767 30 40 BFEB C=CCSc1cc(C(=O)O)ccc1OC 218300516 DNZFUHKYPWHVGK-UHFFFAOYSA-N 224.281 2.672 30 40 BFEB N#Cc1cnccc1Oc1ccccc1F 260324201 WVZWAKDWASYZKM-UHFFFAOYSA-N 214.199 2.885 30 40 BFEB COc1ccccc1C(=O)c1ccccc1C#N 2574620 NTULQQUFGRXSMX-UHFFFAOYSA-N 237.258 2.798 30 40 BFEB C[C@@H](/N=C1\CCCN1)c1ccc(F)cc1 2659792 MNEVCGXNOOAFPU-SECBINFHSA-N 206.264 2.669 30 40 BFEB CCC(/C=N/Nc1ccc([N+](=O)[O-])cn1)CC 5138733 ADDXFCCKFSVDLB-NTUHNPAUSA-N 236.275 2.824 30 40 BFEB Cc1cc(C)c(C#N)c(S[C@@H](C)C#N)n1 5642796 ASJKLYDFAVYGOY-VIFPVBQESA-N 217.297 2.574 30 40 BFEB COc1ccccc1C1=CC(=O)CCC1 15973905 QSUAMENSDVGTGS-UHFFFAOYSA-N 202.253 2.832 30 40 BFEB N#CC(C#N)/N=N/c1ccc(Cl)cc1 17149622 VSRWRLJPOOTNFT-BUHFOSPRSA-N 204.620 2.839 30 40 BFEB CCC(C)(C)NC(=O)c1ccc(NCC#N)cc1 75103425 BIFUHWICOKQLCK-UHFFFAOYSA-N 245.326 2.540 30 40 BFEB N#Cc1ccc(N2CC[C@@H]3CCCC[C@@H]32)cn1 80973059 BRJWPDFYJITRHT-FZMZJTMJSA-N 227.311 2.722 30 40 BFEB CCOC(=O)[C@@H]1O[C@@]1(C)c1cccc(Cl)c1 85657677 YWRCSMUQTFFBJZ-JQWIXIFHSA-N 240.686 2.517 30 40 BFEB CCOC(=O)C[C@H](/C(C)=N/O)c1ccccc1 100526147 TWIXQRGVRJUYDZ-HLVNSREUSA-N 235.283 2.574 30 40 BFEB CN(c1ccccc1)[C@H]1/C(=N/O)[C@H]2CC[C@H]1C2 257345340 KJGQOJWXILNTKQ-PEWPNZIQSA-N 230.311 2.752 30 40 BFEB COC1=C/C(=N\O)[C@@]2(C)CC[C@@H]1C2(C)C 4266964 ACVXVSZJBOCMOY-ZJYNVHKISA-N 209.289 2.803 30 40 BFEB CCOC(=O)N1c2ccccc2C=C[C@H]1C#N 4962779 QFAHEDSFVHOFGW-NSHDSACASA-N 228.251 2.568 30 40 BFEB C/C(=N/O)C1CCN(Cc2ccccc2)CC1 5566125 BBXXJNOTZHIEIQ-QINSGFPZSA-N 232.327 2.749 30 40 BFEB C[C@H](C#N)Sc1nc2ccccc2n1C 8232546 HYYJCEIVSQRBLJ-MRVPVSSYSA-N 217.297 2.577 30 40 BFEB SCCc1nc2cc(Cl)ccc2[nH]1 17377324 PAXXXTOYJAGWPP-UHFFFAOYSA-N 212.705 2.689 30 40 BFEB C=C(C)CSc1nnc(C)c(C)c1C#N 96500546 UBOXOBDOTYLXOM-UHFFFAOYSA-N 219.313 2.633 30 40 BFEB COc1cc(C(=O)C=C(C)C)ccc1F 169163007 MLQIGESTBHSMCZ-UHFFFAOYSA-N 208.232 2.983 30 40 BFEB CN(C)/C=C\C(=O)c1cccc(Cl)c1 12340068 LDBZHHVGVAIVBT-SREVYHEPSA-N 209.676 2.598 30 40 BFEB C[C@H](Nc1ncccn1)c1ccc(C#N)cc1 32923540 IEJACSOMPHPMKK-JTQLQIEISA-N 224.267 2.521 30 40 BFEB O/N=C/c1cc(Cc2ccccc2)ccc1O 100293415 RUPKWDDMYKZGFV-XNTDXEJSSA-N 227.263 2.791 30 40 BFEB CC[C@@H](C)n1nc(CC(C)C)c(C#N)c1N 225832644 OHHITDKTFSIBLZ-SECBINFHSA-N 220.320 2.506 30 40 BFEB CCCCn1c(C#N)cc(N)c1OC(C)(C)C 225875252 OJKVHEGKIPZKMG-UHFFFAOYSA-N 235.331 2.919 30 40 BFEB CN(c1ccccc1)[C@@H]1/C(=N/O)[C@H]2CC[C@H]1C2 257345339 KJGQOJWXILNTKQ-DQGUNNOXSA-N 230.311 2.752 30 40 BFEB C=C1CCCN(c2nc(C3CC3)ns2)C1 667619416 PCMDZFNJHYHTDP-UHFFFAOYSA-N 221.329 2.572 30 40 BFEB N#CC(F)(F)C(F)(F)C(F)(F)C(F)F 2570237 RLAXGPNFIAFXPB-UHFFFAOYSA-N 227.054 2.681 30 40 BFEB Cc1nc(N/N=C/c2ccc(O)cc2)sc1C 4036377 LJDSIKIFEDXBHV-NTUHNPAUSA-N 247.323 2.912 30 40 BFEB O/N=C1/C[C@H](c2ccccc2)Cc2ccncc21 4701638 IASQGCORANDLOA-WKSPDDFDSA-N 238.290 2.990 30 40 BFEB CCCCCCNC(=O)c1ccc(C#N)cc1 16469282 ISXQKQZKIKHVNV-UHFFFAOYSA-N 230.311 2.868 30 40 BFEB CCN(Cc1cccc(C)c1)[C@@H](C)C#N 97372030 POCLELRXSRKFNO-LBPRGKRZSA-N 202.301 2.729 30 40 BFEB CC(=O)CC[C@H](C)/N=C\c1ccc(N(C)C)cc1 104131569 IBCQWOWDLDHXPI-IEMQHYRPSA-N 246.354 2.929 30 40 BFEB C=CC(C)(C)S(=O)(=O)Cc1ccccc1 478207 WQOSJOGJEOSXHS-UHFFFAOYSA-N 224.325 2.566 30 40 BFEB O=C1Nc2ccccc2/C1=C\C(=O)c1ccccc1 31719993 HYHFPMWIIOXTBM-JLHYYAGUSA-N 249.269 2.905 30 40 BFEB Cc1ccc(C#CC(=O)O)c2ccccc12 85394489 PHUQWRORTQRIDG-UHFFFAOYSA-N 210.232 2.584 30 40 BFEB CC(=O)Nc1ccc(/C(C)=N/OC(C)C)cc1 98056526 QDYQMLIRSWZBNR-XNTDXEJSSA-N 234.299 2.794 30 40 BFEB CC[C@H](C)C(=O)c1ccc(C#N)c(F)c1 308778144 BHBMVHXZEYSTPV-QMMMGPOBSA-N 205.232 2.926 30 40 BFEB Cc1cccc(/C=N/c2ccc(C(N)=O)cc2)c1 297892 IKQTZHIAEGGFSY-LICLKQGHSA-N 238.290 2.845 30 40 BFEB N#CCN1CCCCCc2ccccc21 1639202 PJLQBEXWXUCMLQ-UHFFFAOYSA-N 200.285 2.743 30 40 BFEB CC1=C2CC[C@@]2(C)[C@@]2(O)CC(C)(C)C=C2C1=O 14507427 BTEVYXQGBSRQMD-HUUCEWRRSA-N 232.323 2.773 30 40 BFEB biogenic C=C1C(=O)O[C@@H]2C[C@H](C)C(CCC(C)=O)=CC[C@@H]12 14620391 AVFIYMSJDDGDBQ-QCZZGDTMSA-N 248.322 2.810 30 40 BFEB biogenic,in-vitro Cc1ccc(N/N=C2/COC(C)(C)CC2=O)cc1 18068697 NJKOKKQZGZQPAS-VBKFSLOCSA-N 246.310 2.531 30 40 BFEB CC1CCC(NC(=O)C2(C#N)CCCC2)CC1 20962278 CVTDTSSXLODZIK-UHFFFAOYSA-N 234.343 2.765 30 40 BFEB C=C(C)Cn1cnc2sc(CC)cc2c1=O 48367481 BJFFJUDOMMRXAV-UHFFFAOYSA-N 234.324 2.597 30 40 BFEB CCO[C@@H](C)OCC#Cc1ccc(CC)cc1 95632161 ZJWDRQKGTMTNLO-CYBMUJFWSA-N 232.323 3.000 30 40 BFEB C=C(C)CNC(=O)Nc1ccc(COCC)cc1 157521952 MXBSZKRUVKBJFU-UHFFFAOYSA-N 248.326 2.921 30 40 BFEB N#CC[C@H]1C(=O)N(CC2CCC2)c2ccccc21 218783231 FOTVFWNMCHAFKW-CYBMUJFWSA-N 240.306 2.831 30 40 BFEB C=C(Br)CCCC(=O)OCC 2567421 TUFYYHHBZMEIAW-UHFFFAOYSA-N 221.094 2.628 30 40 BFEB N#Cc1cccc(C(=O)Nc2ccccc2O)c1 12908046 QEQMZJRSLPADPE-UHFFFAOYSA-N 238.246 2.516 30 40 BFEB CC(C)(C)CC(=O)NCc1ccc(C#N)cc1 36392663 OQZLMYPAMRWMLN-UHFFFAOYSA-N 230.311 2.611 30 40 BFEB CN1C=CCC(/C(=N/O)c2ccccc2)=C1 104052796 LUGGYJQARIFXMG-BUHFOSPRSA-N 214.268 2.598 30 40 BFEB COc1ccc2c(c1C)CC[C@](C)(C#N)C2=O 2041741 HZLDKRYPHSJZBD-CQSZACIVSA-N 229.279 2.662 30 40 BFEB COc1ccc2nc(SCCCC#N)[nH]c2c1 4252344 PKFAIKFZYJBHRE-UHFFFAOYSA-N 247.323 2.967 30 40 BFEB CCc1ccc(/N=C2/NC(=O)[C@H](CC)S2)cc1 6871003 JLRHMCPQFFZYOW-NSHDSACASA-N 248.351 2.878 30 40 BFEB C=C(CO)[C@@H]1CC[C@]2(C)CCC[C@@](C)(O)[C@@H]2C1 15208883 RMARCXQAHOJNRB-APIJFGDWSA-N 238.371 2.892 30 40 BFEB biogenic,in-vitro CN[C@@H](C#N)c1ccc(Cl)c(Cl)c1 20378224 QTCGYGMHAOBASQ-VIFPVBQESA-N 215.083 2.777 30 40 BFEB CCCCN1C(=O)/C(=N\O)c2cc(C)cc(C)c21 46084946 VEMVPFAWSGKATA-QINSGFPZSA-N 246.310 2.628 30 40 BFEB CC[C@@H](C)C(=O)N[C@H](C#N)c1ccccc1C 66406089 ZSLZNQVOJHSMSY-ZWNOBZJWSA-N 230.311 2.722 30 40 BFEB C#CC[C@H](NC(=O)NCCCC)c1ccccc1 89954754 UVBOXNHHSCOXLU-AWEZNQCLSA-N 244.338 2.850 30 40 BFEB CC(=O)c1cccc(/N=C2\NC[C@H](C)S2)c1 500717 ZUYWXYROQFVDKA-QMMMGPOBSA-N 234.324 2.602 30 40 BFEB N#Cc1cc2c([nH]c1=S)CCCCC2 2321548 KIHZYQBHSQBGAB-UHFFFAOYSA-N 204.298 2.885 30 40 BFEB CCCCCCCC[C@H](O)CC(=O)O 2558055 FARPMBPKLYEDIL-JTQLQIEISA-N 202.294 2.573 30 40 BFEB biogenic,in-vitro CC(=O)CC[C@H](C)/N=C/c1ccc(N(C)C)cc1 16955111 IBCQWOWDLDHXPI-JASJWYONSA-N 246.354 2.929 30 40 BFEB CCC(=O)[C@H](C#N)c1cccc(Cl)c1 36930586 UEDUVULOZVQAJV-SNVBAGLBSA-N 207.660 2.926 30 40 BFEB N#Cc1cc(OC(F)(F)F)cc(Cl)c1N 39953634 BGNBLSPKAANHBC-UHFFFAOYSA-N 236.580 2.692 30 40 BFEB N#Cc1cc(N2CCCCC2=O)ccc1Cl 199754438 QWNODNRMHNJYMM-UHFFFAOYSA-N 234.686 2.729 30 40 BFEB N#Cc1cccc(C(=O)N2CCCCCC2)c1 6401201 STUUWQXGPTUTSX-UHFFFAOYSA-N 228.295 2.574 30 40 BFEB Cc1ncsc1C(=O)Nc1cccc(C#N)c1 19441819 LJSSGCOHHZXHIV-UHFFFAOYSA-N 243.291 2.576 30 40 BFEB CO[C@H](C)c1noc(C2(C#N)CCCCC2)n1 96461129 ZIQFYDBYOKFNEA-SECBINFHSA-N 235.287 2.502 30 40 BFEB CC[C@H]1CCCCN1[C@H]1/C(=N/O)[C@H]2CC[C@H]1C2 257345261 FVJURVRWXRJNLR-AQCUCQHMSA-N 236.359 2.880 30 40 BFEB C=C1C[C@@H]2CC[C@H](C1)N2c1nnc(C)s1 664572238 MMRGMVPLWORJRL-AOOOYVTPSA-N 221.329 2.534 30 40 BFEB C[C@H]1OC2=C(C(=O)C(=O)c3ccccc32)C1(C)C 1531757 WGENOABUKBFVAA-MRVPVSSYSA-N 242.274 2.608 30 40 BFEB biogenic,in-vitro CC1=NN([C@@H](C#N)c2ccco2)C(C)(C)C1 4700087 TZFOOVNOXXHIRZ-JTQLQIEISA-N 217.272 2.704 30 40 BFEB N#Cc1cccc(C(=O)Oc2ccc(F)cc2)c1 7657093 GNIXBNADXUCIGZ-UHFFFAOYSA-N 241.221 2.917 30 40 BFEB N#Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 12399138 GSGOFCBABYDJOB-UHFFFAOYSA-N 237.184 2.763 30 40 BFEB N#Cc1ccccc1NC(=O)c1ccccc1O 19472604 HYTJGTUZXKLGLF-UHFFFAOYSA-N 238.246 2.516 30 40 BFEB O=C1/C(=C\c2cccc(Cl)c2)N2CCC1CC2 32534215 PCCPIAJDYTUNAC-UKTHLTGXSA-N 247.725 2.976 30 40 BFEB N#Cc1c(Cl)cc([N+](=O)[O-])cc1Cl 34578638 MADGWOCVYGHPIY-UHFFFAOYSA-N 217.011 2.773 30 40 BFEB N#CCc1nc(Cc2ccccc2)n2ccccc12 41195202 LNBYUFJEUWIUIX-UHFFFAOYSA-N 247.301 2.991 30 40 BFEB C=CCOc1ccc(-c2cn[nH]c2)cc1 85391558 CTWZKJKYUXVQLC-UHFFFAOYSA-N 200.241 2.642 30 40 BFEB C=C1CC[C@@H](O)[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12 95914600 MQOLOUZWNJHZLN-QVHKTLOISA-N 238.371 2.891 30 40 BFEB biogenic,in-vitro C=C(C)C(=O)O[C@@H]1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1 263584122 KFVLPEIMNOGRJP-PNWMVKDVSA-N 220.312 2.930 30 40 BFEB in-vitro CC(C)=CC(=O)c1cccc(F)c1C#N 308801264 LCTFULQUKGDJMD-UHFFFAOYSA-N 203.216 2.846 30 40 BFEB C[C@@]1(C(=O)/C=C/c2ccc(Cl)cc2)CO1 163738 FTICWRZAOPJWHT-NTYUQYKDSA-N 222.671 2.711 30 40 BFEB O=[N+]([O-])c1ccc(/C=N/N=C/c2ccco2)cc1 1709294 ZGMLBZYISUQBET-UQNWOCKMSA-N 243.222 2.641 30 40 BFEB C=CC[C@H]1CCCN1C(=O)OC(C)(C)C 6305087 REHOBPXCTRHRJK-JTQLQIEISA-N 211.305 2.962 30 40 BFEB Cc1cc2c(cn1)/C(=N/O)c1ccccc1-2 12341319 KETYVLOUIAGOMP-FYWRMAATSA-N 210.236 2.597 30 40 BFEB C=CC[C@H]1Cc2c(N)cccc2[C@@H](CC=C)N1 19973747 BTXLHLDPUHBVCS-XHDPSFHLSA-N 228.339 2.976 30 40 BFEB C=C(Cl)Cc1ccc(C(=O)OCC)o1 43209554 UAAAUMYPOCEWDC-UHFFFAOYSA-N 214.648 2.751 30 40 BFEB C=CCN(CC=C)Cc1ccccc1F 52868032 NVDGCCVWONFAIN-UHFFFAOYSA-N 205.276 3.000 30 40 BFEB Cn1cc(/C=C2\CCc3sccc3C2=O)cn1 96403340 WFPRFMKXIDKUFH-UXBLZVDNSA-N 244.319 2.694 30 40 BFEB CC1(C)CC(=O)C2=C(C1)O[C@]1(N)CCC[C@@H]2C1 100360549 KDMVKKFCTZDLDP-YMTOWFKASA-N 235.327 2.505 30 40 BFEB CCc1ccc(/N=C2/NC(=O)[C@@H](CC)S2)cc1 6871006 JLRHMCPQFFZYOW-LLVKDONJSA-N 248.351 2.878 30 40 BFEB CC1=C2CC[C@@]2(C)[C@]2(O)CC(C)(C)C=C2C1=O 14507432 BTEVYXQGBSRQMD-CABCVRRESA-N 232.323 2.773 30 40 BFEB biogenic C=C(C(=O)O)[C@@H]1CCC2=CC(=O)C[C@H](C)[C@@]2(C)C1 28464593 GAWKUNMREBFQOL-ZVWUFJHRSA-N 248.322 2.969 30 40 BFEB biogenic,in-vitro N#Cc1cccn1Cc1ccc(F)cc1 32919206 MKXXNQNGJGDKEX-UHFFFAOYSA-N 200.216 2.547 30 40 BFEB CC(=O)/C=C/[C@H]1C(C)(C)CC[C@H]2O[C@@]12C 34586082 ODMUHAHUBCUABS-KROXLZLWSA-N 208.301 2.725 30 40 BFEB COc1c(CC#N)cccc1C(F)(F)F 38529846 OWDJZLRILKOLAR-UHFFFAOYSA-N 215.174 2.780 30 40 BFEB CCO[C@H](C)OCC#Cc1cc(C)cc(F)c1 95632252 ICQDYNWFMGSYHF-LBPRGKRZSA-N 236.286 2.885 30 40 BFEB CCO[C@H](C)OCC#Cc1ccc(F)c(C)c1 95632346 MLLYTFFKRQYYLF-LBPRGKRZSA-N 236.286 2.885 30 40 BFEB C=CCN(Cc1ccccc1)C(=O)c1ccon1 95957125 RRAYZHOFNIGWCE-UHFFFAOYSA-N 242.278 2.503 30 40 BFEB N#CCC(=O)c1ccc(OC(F)(F)F)c(F)c1 150307766 JVWBUSKUUZJIFH-UHFFFAOYSA-N 247.147 2.821 30 40 BFEB Cc1sc(-n2cccc2C#N)c(C(=O)O)c1C 223743791 BJGKWMLAKZDPMR-UHFFFAOYSA-N 246.291 2.726 30 40 BFEB N#CC(F)(F)c1nc2ccccc2n1C1CC1 252508168 XFCAIGKPHJETAZ-UHFFFAOYSA-N 233.221 2.987 30 40 BFEB O/N=C/[C@@H](c1ccccc1)N1CCCCC1 5604306 KCVGUNJBMPJYRV-UQRISPGASA-N 218.300 2.674 30 40 BFEB CC(=O)Nc1c(Cl)cc(C#N)cc1Cl 16123966 OGBMKMYVARFJGF-UHFFFAOYSA-N 229.066 2.823 30 40 BFEB C=C(C)Cc1ccc(C2OCCO2)cc1 43502449 MVTOOEMJBADLGE-UHFFFAOYSA-N 204.269 2.851 30 40 BFEB CC(C)[C@@H]1CCc2c(sc(N)c2C#N)C1 54554432 BQCQVQDGCIBEKF-MRVPVSSYSA-N 220.341 2.963 30 40 BFEB N#CC1(c2ccc(C(F)(F)F)nc2)CC1 95094264 NYXCHWZSMCXPCE-UHFFFAOYSA-N 212.174 2.656 30 40 BFEB c1ccc2c(c1)CCCC/C2=N/OC[C@H]1CO1 102961046 LTMIGQKLRCCGLK-DKASORFFSA-N 231.295 2.533 30 40 BFEB C#Cc1ccc(Br)c2cccnc12 130333184 HFEBVCGDVRTUKV-UHFFFAOYSA-N 232.080 2.979 30 40 BFEB C=CCn1c(N)c(C#N)c(C#N)c1-c1ccccc1 1647963 LYIQUPXTNPHHFY-UHFFFAOYSA-N 248.289 2.667 30 40 BFEB O=C1/C(=C/c2ccc[nH]2)Cc2ccccc21 4693469 YQKHTAYRNHDUJE-PKNBQFBNSA-N 209.248 2.837 30 40 BFEB Cc1ccccc1/C=N/Nc1ccc(Cl)nn1 6566461 QIWZZMUPNOESPA-RIYZIHGNSA-N 246.701 2.884 30 40 BFEB N#CC(C#N)c1nc(-c2ccccc2)cs1 13547433 NORONYJVLRVVGJ-UHFFFAOYSA-N 225.276 2.941 30 40 BFEB N#Cc1ccc(COC(=O)c2ccoc2)cc1 16156930 BIKDTIKECJDZRA-UHFFFAOYSA-N 227.219 2.508 30 40 BFEB Cc1ccc(/N=C2/CSC3=NCCN32)c(C)c1 26506552 OBMRFUJWWAUCNN-QINSGFPZSA-N 245.351 2.752 30 40 BFEB CCC[C@H](C)Nc1ccc(C#N)cc1N 35674322 TTWILBHHWHGNFZ-VIFPVBQESA-N 203.289 2.741 30 40 BFEB N#C[C@@H](C(=O)C1CC1)c1cccc(Cl)c1 36930583 ZERXDAPHPYHHMD-LLVKDONJSA-N 219.671 2.926 30 40 BFEB N#C[C@@H](CO)Cc1ccc(Cl)c(Cl)c1 63064110 SOGAJWRMOSSKRZ-QMMMGPOBSA-N 230.094 2.668 30 40 BFEB C[C@@H](C/C(O)=N/S(C)(=O)=O)C1CCCCC1 71892363 OGUKADTVAFLVRJ-VIFPVBQESA-N 247.360 2.509 30 40 BFEB OCCCC#Cc1ccccc1OC(F)(F)F 95633939 SCVGQJYUUCNCJY-UHFFFAOYSA-N 244.212 2.709 30 40 BFEB Cc1cc(N2CCCCC2)c(C#N)c(C)n1 95967017 WCZPETLUHAQJCW-UHFFFAOYSA-N 215.300 2.560 30 40 BFEB Cc1ccc(C(=O)C=C(S)S)cc1 100644031 LGHIWCYSEBWLKL-UHFFFAOYSA-N 210.323 2.879 30 40 BFEB CCCCC[C@H]1/C(=N\O)CC[C@@H]1CC(=O)OC 100742292 NMOXUEJWSISUMP-JIXRIMAPSA-N 241.331 2.986 30 40 BFEB biogenic Cc1[nH]nc2c1/C(=N\O)C[C@@H](c1ccccc1)C2 102675002 ITLUALADFBZOPF-DUQXYPDUSA-N 241.294 2.626 30 40 BFEB C[C@H](NC(=O)C1(C#N)CC1)c1ccc(Cl)cc1 156888864 QWECAADDGZXBEH-VIFPVBQESA-N 248.713 2.821 30 40 BFEB Cc1cccc(Oc2c(N)cc(C#N)n2C)c1 225879707 NODAYQCMNOYKHQ-UHFFFAOYSA-N 227.267 2.580 30 40 BFEB Cc1nc(Br)c(C#N)cc1Cl 238478491 WSVRBROQWODRRC-UHFFFAOYSA-N 231.480 2.678 30 40 BFEB N#Cc1ccc(NC(=O)Cc2cccs2)cc1 30816 GRSIQHJUEMGSTI-UHFFFAOYSA-N 242.303 2.801 30 40 BFEB Cc1sc2ncnc(SCC#N)c2c1C 1987191 NTLHHFHLYQYSCK-UHFFFAOYSA-N 235.337 2.924 30 40 BFEB O=c1[nH]c2ccc(/N=C\c3cccs3)cc2[nH]1 16430461 LORKMMTUWXKRME-QPEQYQDCSA-N 243.291 2.668 30 40 BFEB Nc1cccc(C#Cc2ccc(F)cc2)c1 37471001 XBKVTMPLFNPJLY-UHFFFAOYSA-N 211.239 2.808 30 40 BFEB Cc1cc(Br)c(C#N)cc1C 73641561 FFAGIQJTJYGSOQ-UHFFFAOYSA-N 210.074 2.938 30 40 BFEB Cc1ccc(/N=C2\CCCN2C)c(C#N)c1 3151432 HCVNQAOFQYIYRF-FYWRMAATSA-N 213.284 2.622 30 40 BFEB O=[N+]([O-])c1ccc(/N=C/[C@@H]2CCC=CO2)cc1 17302670 YVNSLTWZBTYCNC-OQZOHAQUSA-N 232.239 2.990 30 40 BFEB C[C@@H](Sc1ccccc1)/C(O)=N/c1ncn[nH]1 26263235 DLVAFKZDFOFJKH-MRVPVSSYSA-N 248.311 2.574 30 40 BFEB O/N=C1/CC[C@H]2CN(C3CCCCC3)C[C@H]2C1 36038149 LTSLFNBPLYFMAG-SWLSLZBESA-N 236.359 2.881 30 40 BFEB N#CCSCC(=O)Nc1cccc(Cl)c1 47902435 SDEXMSCQOGBMAY-UHFFFAOYSA-N 240.715 2.535 30 40 BFEB CCC(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 71868109 DWKWTEUVWOKIMN-NSHDSACASA-N 230.311 2.878 30 40 BFEB CN(C)CCSc1ccc(C#N)cc1Cl 95020336 NTFHRWPUQHXEGU-UHFFFAOYSA-N 240.759 2.865 30 40 BFEB O=C[C@@H]1C(=O)N(c2ccccc2)c2ccccc21 100353571 DBNWZEHKIYHGES-ZDUSSCGKSA-N 237.258 2.647 30 40 BFEB C=CCOc1cc(Cl)c(C#N)cc1OC 218294774 ZNNHRGVTBBCTSR-UHFFFAOYSA-N 223.659 2.785 30 40 BFEB CC(=O)c1ccccc1Oc1cncc(C#N)c1 685937688 OFJPTYGUCSXACN-UHFFFAOYSA-N 238.246 2.948 30 40 BFEB N#CC(C#N)[C@H](C#N)/C=C\c1ccccc1 12494922 XXPBBNYOUHAIEJ-DGMVEKRQSA-N 207.236 2.503 30 40 BFEB Cc1cccc(/N=C\c2ccccc2C(=O)O)n1 13410881 IEGONXJZZHPCMK-DHDCSXOGSA-N 240.262 2.839 30 40 BFEB N#Cc1cc(N)ccc1NC1CCCCC1 20134960 ANDODKBPUAUBPS-UHFFFAOYSA-N 215.300 2.885 30 40 BFEB C=CCOC(=O)c1c[nH]c2ccccc12 36459569 VXTLNCRMCQEBRN-UHFFFAOYSA-N 201.225 2.511 30 40 BFEB C=C(C)Cc1ccc(OC)c(OC)c1OC 43502581 UBAWTCZZKGFLEU-UHFFFAOYSA-N 222.284 2.831 30 40 BFEB Cc1cc(F)cc2c(OCC#N)ccnc12 64874782 BMYCHCYIBRRLGP-UHFFFAOYSA-N 216.215 2.585 30 40 BFEB CN(Cc1ccc(F)cc1C#N)CC(F)(F)F 71900556 QNSNZCXOALKDEJ-UHFFFAOYSA-N 246.207 2.691 30 40 BFEB Cn1c(C#N)cc(N)c1Cc1ccc(Cl)cc1 225850975 LRPCBEZTDQJSRU-UHFFFAOYSA-N 245.713 2.723 30 40 BFEB CC(C)n1c(C#N)cc(N)c1N1CCC[C@@H](C)C1 225865672 RXOQOVUYIRCYDS-LLVKDONJSA-N 246.358 2.759 30 40 BFEB C=C(C)C(=O)c1ccc(C(=O)OCC)cc1 309367612 PSFHKKIYOKSDCY-UHFFFAOYSA-N 218.252 2.622 30 40 BFEB C[C@@H]1Cc2c(C#N)ccc(Br)c2O1 616567679 OGXKIYSJXLYBEH-ZCFIWIBFSA-N 238.084 2.644 30 40 BFEB COC1(OC)CC(C#N)(c2cccc(C)c2C)C1 685936895 BTOZSYJXVKKFPT-UHFFFAOYSA-N 245.322 2.848 30 40 BFEB C/C(=N\c1cc([N+](=O)[O-])ccc1C)n1ccnc1 319351 HXJOVNDTQPEZCX-GXDHUFHOSA-N 244.254 2.698 30 40 BFEB CCCC/C=C1\CC[C@@H](CN(C)C)C1=O 1618763 DGFOGZAJBWCFAR-VNKGSWCUSA-N 209.333 2.644 30 40 BFEB C[C@H]1CC/C(=N/N(C)C)c2ccccc21 6480947 LOCXZNJWIVUBBA-DZOVYVGFSA-N 202.301 2.850 30 40 BFEB C#Cc1cccc(NC(=O)c2ccoc2C)c1 41636874 BZPOWAUKSMFSEG-UHFFFAOYSA-N 225.247 2.822 30 40 BFEB C=CCCC(=O)Nc1cccc(C)c1O 96452136 GOPGPDYKQZRGPB-UHFFFAOYSA-N 205.257 2.605 30 40 BFEB N#CCCOCC#CC[C@H]1C[C@H]2C=C[C@@H]1C2 5377131 OSKLPQFHBLIPHR-HZSPNIEDSA-N 215.296 2.522 30 40 BFEB COc1ccc2[nH]c(C)c(CC#N)c2c1 19725674 CAMHBEZHHXYWLX-UHFFFAOYSA-N 200.241 2.551 30 40 BFEB CC(=O)O/N=C/c1ccc(-c2ccc(F)cc2)o1 85346663 XFELDUDUUUMRAJ-OVCLIPMQSA-N 247.225 2.983 30 40 BFEB N#Cc1ccnc(SC(F)(F)F)c1 95918414 VZCZSASIYJMDOB-UHFFFAOYSA-N 204.176 2.565 30 40 BFEB N#Cc1csc(CN2CCCSCC2)c1 97113617 KDSBYNZSELATAU-UHFFFAOYSA-N 238.381 2.559 30 40 BFEB C/C(=C/C(=O)C(F)(F)F)NC1CCCCC1 100095273 GYESAFNKQXECCC-FPLPWBNLSA-N 235.249 2.944 30 40 BFEB OCc1ccccc1/N=C\c1ccccc1O 104260205 KGPJDFCGZWTJAP-DHDCSXOGSA-N 227.263 2.635 30 40 BFEB C=CCn1c(SC)nnc1-c1ccccc1 2618864 QNAHTIDFCLWQHQ-UHFFFAOYSA-N 231.324 2.853 30 40 BFEB C=CCN(CC=C)C(=O)/C=C/c1cccs1 2736621 XYKWDVAKUGKHNG-BQYQJAHWSA-N 233.336 2.962 30 40 BFEB CC/N=C(/S)NCc1ccc2[nH]c(C)cc2c1 8860107 JZLNIFKORFYWPF-UHFFFAOYSA-N 247.367 2.872 30 40 BFEB N#CCCn1nc(C(F)(F)F)cc1C1CC1 12394489 KEVPJCUBHWBCOB-UHFFFAOYSA-N 229.205 2.693 30 40 BFEB O=C(NCC#Cc1ccccc1)C1CCCCC1 12973030 JCVUVRVAMMDQKS-UHFFFAOYSA-N 241.334 2.735 30 40 BFEB N#Cc1ccc(-c2cccc(CN)c2)s1 50266923 NCKUJEKNJAMMGL-UHFFFAOYSA-N 214.293 2.745 30 40 BFEB in-vitro COC[C@H](C)Nc1ccc(C#N)c(Cl)c1 53172917 ILBHAZHAXGDDSI-QMMMGPOBSA-N 224.691 2.658 30 40 BFEB N#Cc1ccc(Cn2cc(-n3cccc3)cn2)cc1 78991224 OGFPCDICGYEKJH-UHFFFAOYSA-N 248.289 2.594 30 40 BFEB CC#CCNC1(c2nccs2)CCCC1 81594305 GYUKYOLGMXLLNJ-UHFFFAOYSA-N 220.341 2.525 30 40 BFEB CCCN1C(=O)CS/C1=N/c1ccc(C)cc1 96473825 OVWQIXKKTXXRBC-BUHFOSPRSA-N 248.351 2.968 30 40 BFEB O/N=C1/[C@H]2CC[C@@H](C2)[C@H]1N1CCCCCCC1 100964739 SOJSNMUGHJYLFG-KLJCPMAESA-N 236.359 2.881 30 40 BFEB C[C@@H](C#N)OC(=O)c1cc2ccccc2cc1O 5079303 VCZGBPKHBROZEH-VIFPVBQESA-N 241.246 2.614 30 40 BFEB O=[N+]([O-])c1cccc(/C=N/N=C\c2ccco2)c1 8637372 TUFHPZLBLIAGJU-MGDWIPCISA-N 243.222 2.641 30 40 BFEB CCO/C=N/c1oc(-c2ccccc2)nc1C#N 17060364 HPARQAUNSSJOSQ-OQLLNIDSSA-N 241.250 2.910 30 40 BFEB N#CC1(NC(=O)c2ccccc2)CCCCC1 35572178 CFCBDGZNNIYDQX-UHFFFAOYSA-N 228.295 2.643 30 40 BFEB in-vitro C=CCN1CCC([C@H](O)c2ccccc2)CC1 42634816 MSAQDJFDEFLSLP-OAHLLOKOSA-N 231.339 2.618 30 40 BFEB CC(C)n1cc(C(=O)/C=C/c2cccnc2)cn1 58277643 VLUNZIQJVKRNTF-AATRIKPKSA-N 241.294 2.755 30 40 BFEB C[C@@H]1CCC[C@@H](Cn2ccnc2C#N)C1 97376711 DFZUBTLBFYYBJQ-GHMZBOCLSA-N 203.289 2.581 30 40 BFEB CN(C)c1ccc(/N=C/c2cccn2C)cc1 3193064 XORTWRWOUPGVIK-RVDMUPIBSA-N 227.311 2.842 30 40 BFEB N#CCCCSc1nnc(-c2cccnc2)o1 12638814 ZMZPNGAAZBLVSY-UHFFFAOYSA-N 246.295 2.527 30 40 BFEB Cc1ccc(/N=C2/N[C@H](C)CS2)cc1 27525958 UNIYJRWJVNDTSA-SECBINFHSA-N 206.314 2.707 30 40 BFEB CCC[C@H](C#N)NC(=O)c1ccc2cc[nH]c2c1 69462619 FBGCTGYNRMUMSO-GFCCVEGCSA-N 241.294 2.590 30 40 BFEB N#Cc1c(F)cccc1OCC1CCC1 87543651 FFMJZDMYYSVQHP-UHFFFAOYSA-N 205.232 2.876 30 40 BFEB C=CCOc1c(C(=O)OC)oc2ccccc12 96510805 WHYQQBIHJWGKQW-UHFFFAOYSA-N 232.235 2.784 30 40 BFEB C=CCN1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1 100015803 MUDUFRFJYXOJGQ-HOTGVXAUSA-N 242.366 2.521 30 40 BFEB CCN(Cc1ccccc1)[C@H]1CCC/C1=N/O 100977230 OKFQZDBHSKZRMH-RHIYTYFCSA-N 232.327 2.891 30 40 BFEB C#Cc1cccc(OCC(F)(F)F)c1 169797007 VBJCXVOTHBUGJC-UHFFFAOYSA-N 200.159 2.609 30 40 BFEB CC(C)=NN=c1scc(C)n1Cc1ccco1 245264221 CDAGAIMVHSAVDV-UHFFFAOYSA-N 249.339 2.796 30 40 BFEB C=C1C(=O)O[C@@H]2[C@@H]1CC/C(C)=C\CC[C@]1(C)O[C@H]21 250647636 KTEXNACQROZXEV-LLGHTPABSA-N 248.322 2.762 30 40 BFEB biogenic,in-vitro C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccncc1F 620309470 PXCXDRMVLPIVBF-PHIMTYICSA-N 246.285 2.544 30 40 BFEB Cn1ccnc1/C=N/Nc1ccccc1Cl 5907250 GQFSTQWSHTWJKR-RIYZIHGNSA-N 234.690 2.520 30 40 BFEB CN(C)/C=C1\Oc2ccc3ccccc3c2C1=O 12407967 QBJQEQYZERVILO-LCYFTJDESA-N 239.274 2.818 30 40 BFEB O=C1CCCC2=C1C=C1CCCC[C@H]1O2 26897635 TVBFEHXFAVPELO-GFCCVEGCSA-N 204.269 2.893 30 40 BFEB Nc1ccccc1N/N=C\c1ccccc1 31671888 LEECWLZJGWLVIS-GDNBJRDFSA-N 211.268 2.715 30 40 BFEB C=CCNC(=O)c1cc2ccc(F)cc2nc1C 32855996 IMNKTOKQUGMLDT-UHFFFAOYSA-N 244.269 2.598 30 40 BFEB CC(C)c1c(C#N)c(=O)oc2ccccc12 72220098 LWYBRJPXMLRYQC-UHFFFAOYSA-N 213.236 2.788 30 40 BFEB N#CCCOc1ccc(Br)c(F)c1 83576629 RWXJCLALVDTCQI-UHFFFAOYSA-N 244.063 2.881 30 40 BFEB C#CCn1cc(-c2ccccc2Cl)cn1 85391478 UQZOYKQDVKRKSG-UHFFFAOYSA-N 216.671 2.837 30 40 BFEB Cc1cc(C#CC[C@@H](C)O)ccc1Cl 95631704 MZNUBEIRBQZTGA-SNVBAGLBSA-N 208.688 2.771 30 40 BFEB CCN(CC)CC#Cc1ccc(C)c(F)c1 95633715 KEUVTZSJIQDGGL-UHFFFAOYSA-N 219.303 2.827 30 40 BFEB C[C@]1(CCC(=O)O)[C@H]2CC[C@@]1(C)/C(=N/O)C2 109561046 JNIZOMYFBBJLFI-RUKKJMGESA-N 225.288 2.508 30 40 BFEB C#CC[C@H]1CN2CC[C@H]1[C@@H](c1ccccc1)C2 248160346 GMHYBUWLMCQRPO-ARFHVFGLSA-N 225.335 2.745 30 40 BFEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1csc(C)n1 1776009449 MHPWTMVULYACPT-PHIMTYICSA-N 248.351 2.775 30 40 BFEB Cc1ccc2c(CC(=O)O[C@H](C)C#N)coc2c1 6558673 IUWBTCCZDATSNJ-SNVBAGLBSA-N 243.262 2.739 30 40 BFEB CSC(=N/N=C\c1ccccc1O)SC 16956332 UJNVMSNYMSTLMD-XFFZJAGNSA-N 240.353 2.808 30 40 BFEB C=CCn1c(C(C)=O)cc(C=O)c1CCC 78404417 GQSKJJDCUMWFDU-UHFFFAOYSA-N 219.284 2.642 30 40 BFEB CCc1ccc([C@H]2COCCN2CCCC#N)o1 96413025 QJGYQRMMNTVTCT-CYBMUJFWSA-N 248.326 2.519 30 40 BFEB CCCCCCCCC/C(C)=N\NC(=N)N 104393644 DRNVHXQZZSAUHM-PTNGSMBKSA-N 226.368 2.986 30 40 BFEB O/N=C(\Cl)c1ccc2ncccc2c1 514252403 DIMCRNMCHZWYNQ-RAXLEYEMSA-N 206.632 2.609 30 40 BFEB CCCCOCCN(CCC#N)CCCC 5419341 YXZREPATHZMDIP-UHFFFAOYSA-N 226.364 2.819 30 40 BFEB CCOC(=O)[C@@]1(CC)O[C@]1(C)C(C)(C)C 86166092 NGUCTUCFTUGNFT-VXGBXAGGSA-N 214.305 2.533 30 40 BFEB CCO[C@@H]1C[C@H](N(C)CCC#N)C12CCCC2 96419751 ZBFVWFLWNHNFCC-QWHCGFSZSA-N 236.359 2.570 30 40 BFEB N#CC(=O)c1ccc(OC(F)(F)F)c(Cl)c1 100339302 JHUFGBSGINLPOW-UHFFFAOYSA-N 249.575 2.945 30 40 BFEB CCCCCCCCNCCC(=O)OCC 100408365 WNSNNEUFDRYKIV-UHFFFAOYSA-N 229.364 2.890 30 40 BFEB CCCC/C=C1\CC[C@H](CN(C)C)C1=O 1538698 DGFOGZAJBWCFAR-YTRUQHMWSA-N 209.333 2.644 30 40 BFEB N#Cc1ccc[n+](CCc2c[nH]c3ccccc23)c1 1708655 BJHUQQPCKHXNQN-UHFFFAOYSA-N 248.309 2.570 30 40 BFEB CC1(C)CCO[C@@](C)(C#Cc2ccccc2)O1 3148859 SYYVIVFOXJNTOA-OAHLLOKOSA-N 230.307 2.970 30 40 BFEB C=CCCCOC(=O)c1nc(C)ncc1Cl 76091561 CTGDESZXCJQYJO-UHFFFAOYSA-N 240.690 2.561 30 40 BFEB N#Cc1cc(Cl)ccc1OC(F)F 78406249 AUGTWCJVDKQPQS-UHFFFAOYSA-N 203.575 2.813 30 40 BFEB CC(C)n1c(C#N)cc(N)c1OC(C)(C)C 225875227 SHCCDUVLFQYHJY-UHFFFAOYSA-N 221.304 2.700 30 40 BFEB CN(C)c1ccc(/C=N\OCc2ccccc2)o1 408998732 QEWFCLZTERLKDO-GDNBJRDFSA-N 244.294 2.896 30 40 BFEB CCOC(=O)[C@H]1C(C)=CC(=O)C[C@H]1CC(C)C 518206 ISHAANVVWNKWPI-YPMHNXCESA-N 238.327 2.747 30 40 BFEB biogenic CCCCCCCC(=O)N[C@H](C(=O)O)C(C)C 1665715 SZUMGHGZFKDFPU-LBPRGKRZSA-N 243.347 2.572 30 40 BFEB N#Cc1ccc(C(=O)Nc2ccccc2F)cc1 6215734 VSPRNQPPKIBABI-UHFFFAOYSA-N 240.237 2.950 30 40 BFEB C=CCNCc1ccc(OCC=C)c(OC)c1 8471103 XCJIOPCUMLCGQT-UHFFFAOYSA-N 233.311 2.536 30 40 BFEB CC(C)(C)OC(=O)N[C@@H](C#N)c1cccs1 12357261 OUQMWXLGXNRQPW-QMMMGPOBSA-N 238.312 2.837 30 40 BFEB CN(C)c1ccc(/N=C\c2cccn2C)cc1 12512250 XORTWRWOUPGVIK-PTNGSMBKSA-N 227.311 2.842 30 40 BFEB CC/C=C(\CCC)[C@@](C)(C#N)C(=O)OC 16929449 MLISISAHOURVHQ-OFFHKIPUSA-N 209.289 2.826 30 40 BFEB C[C@H]1CN/C(=N\c2cnc3ccccc3c2)S1 55142318 VUIDEJQXUNKAIY-VIFPVBQESA-N 243.335 2.947 30 40 BFEB C[C@H](CC#N)N(C)Cc1ccc(F)cc1F 58575419 LTCUGWAVOCYJGF-SECBINFHSA-N 224.254 2.699 30 40 BFEB c1ccc2c(c1)[C@H]1[C@@H]3C4C5[C@@]6(C[C@H]7O[C@@H]7C[C@@]516)[C@H]2[C@H]43 104289981 QOAVIKPCPRLNQD-XPQAMDTFSA-N 248.325 2.921 30 40 BFEB N/N=C(\c1ccccc1)c1cc(Cl)ccc1N 4679766 WPRRWTZCKYTGRJ-GHRIWEEISA-N 245.713 2.633 30 40 BFEB Cc1ccc(/N=C2/NC(=O)[C@@H](C)S2)cc1C 8412826 NZXVNUZNPAPYPP-SECBINFHSA-N 234.324 2.542 30 40 BFEB O/N=C(/c1ccccc1)[C@@H](O)c1ccccc1 12375837 WAKHLWOJMHVUJC-RHIYTYFCSA-N 227.263 2.599 30 40 BFEB C=C(C)CNC(=S)NCC1CCCCC1 35585866 PMGYFBXRCJXZSS-UHFFFAOYSA-N 226.389 2.607 30 40 BFEB C=C(C)CSc1nc(C(C)(C)C)n[nH]1 40049416 GCFPVHNPADKYOV-UHFFFAOYSA-N 211.334 2.770 30 40 BFEB COc1c(C)cc(Br)c(C)c1C#N 57339717 CSNFMKNGTIMTJD-UHFFFAOYSA-N 240.100 2.946 30 40 BFEB N#CCNC(=O)C1(c2cccs2)CCCCC1 98012626 MPXMTFIRAWHCDJ-UHFFFAOYSA-N 248.351 2.590 30 40 BFEB O=C(/C=C(\O)C(F)(F)F)c1cccs1 100197488 UGHMGUXSEYFBLC-DAXSKMNVSA-N 222.187 2.935 30 40 BFEB in-vitro CN[C@@]12CCC[C@H](C1)C1=C(CC(C)(C)CC1=O)O2 100360536 KFZLQUOKCXPTIA-MEBBXXQBSA-N 249.354 2.766 30 40 BFEB O/N=C(/Cc1ccccc1F)c1ccncc1 228945149 XNAKGVMRLTZUQJ-SSZFMOIBSA-N 230.242 2.642 30 40 BFEB N#CCc1nc(-c2ccc(C#N)cc2)cs1 113914 SVCITPHNDXGZOF-UHFFFAOYSA-N 225.276 2.748 30 40 BFEB in-vitro OC[C@]1(c2ccccc2)O[C@H]1c1ccccc1 1659995 ZEVYUFMALOLWIC-LSDHHAIUSA-N 226.275 2.646 30 40 BFEB C#CCn1c([C@H](O)CCC)nc2ccccc21 12323605 XLTADYKAIMTXQR-CYBMUJFWSA-N 228.295 2.503 30 40 BFEB CCC/C(=N/O)C(O)(CCC)CCC 17107528 KWZUUIYYMFQIKC-BENRWUELSA-N 201.310 2.948 30 40 BFEB Cc1cccc(C(=O)O[C@@H]2CC[C@H](C#N)C2)c1 89669058 GGFNNPJMECRQFP-WCQYABFASA-N 229.279 2.844 30 40 BFEB CC[C@](C)(O)C#Cc1ccc(C)c(C)c1 95633595 KJECTIHPQMYQLM-AWEZNQCLSA-N 202.297 2.816 30 40 BFEB CCOP(=O)(CCCS)OCC 196814641 HPDRFNGVCADKQM-UHFFFAOYSA-N 212.251 2.572 30 40 BFEB Cc1cccc(-n2c(C)cc(C)c(C#N)c2=O)c1 559151 GDQXZPPXMQSLIG-UHFFFAOYSA-N 238.290 2.634 30 40 BFEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/O 18222882 FXCSSKUVKXTGJN-NTUHNPAUSA-N 235.674 2.642 30 40 BFEB COc1ccccc1C1(C#N)CCC(=O)CC1 39393444 OJEYROFCWOJHCR-UHFFFAOYSA-N 229.279 2.600 30 40 BFEB C=CCN(CC=C)C[C@H]1Cc2ccccc2N1 96524025 JJWSIQVNPYHIJW-CQSZACIVSA-N 228.339 2.697 30 40 BFEB O=C(/C=C\Nc1ccccc1)C(F)(F)F 100405191 PTCXQMALTDIQMW-SREVYHEPSA-N 215.174 2.744 30 40 BFEB Cc1c(C#N)cc(C=O)n1C1CCCC1 225301019 CBFPPLFLSNUGEO-UHFFFAOYSA-N 202.257 2.596 30 40 BFEB Cn1cccc1[C@H](C#N)c1ccccc1C#N 3133303 RQYHARWMUZXTQY-CYBMUJFWSA-N 221.263 2.552 30 40 BFEB CN(C)/C=C1\CCSc2ccccc2C1=O 29763400 KNAAKLVBOPAKER-MDZDMXLPSA-N 233.336 2.811 30 40 BFEB CC(C)Oc1ccc(-c2cc(CC#N)n[nH]2)cc1 72220387 MVSNNDOSLCGODD-UHFFFAOYSA-N 241.294 2.930 30 40 BFEB N#Cc1cccc(C(=O)Nc2ccccc2)c1 3518690 AHXXHEABMRKBDD-UHFFFAOYSA-N 222.247 2.811 30 40 BFEB O=C1[C@@H](c2ccccc2Cl)[C@@H]2CC=C[C@@H]2N1O 4962587 BVCMTZOEWVSYCE-USWWRNFRSA-N 249.697 2.600 30 40 BFEB C[C@H](N)/C(O)=N\c1cccc2ccccc12 34827517 QFQHMFXHIHLARW-VIFPVBQESA-N 214.268 2.775 30 40 BFEB N#Cc1ccc(NC(=O)C(F)(F)F)cc1Cl 81562259 GDJOBHDTKRLDEA-UHFFFAOYSA-N 248.591 2.712 30 40 BFEB CCCC[C@H](O)C#Cc1ccc(N(C)C)cc1 95633029 RLCMMJLBAQXDSZ-HNNXBMFYSA-N 231.339 2.655 30 40 BFEB C[C@@H]1CCCC[C@@H]1CN(CCC#N)CCC#N 152830919 UAFRMBRGAJEWPZ-ZIAGYGMSSA-N 233.359 2.942 30 40 BFEB COc1ccc2c(c1C)CC[C@@](C)(C#N)C2=O 1698911 HZLDKRYPHSJZBD-AWEZNQCLSA-N 229.279 2.662 30 40 BFEB CC[C@@H]1CCCCN1[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2 16636837 FVJURVRWXRJNLR-RWIAKKTCSA-N 236.359 2.880 30 40 BFEB C=CCN(C(=O)Nc1ccc(C#N)cc1)C1CC1 95458801 ZCNAEIAWKPOXBP-UHFFFAOYSA-N 241.294 2.741 30 40 BFEB C[C@H](F)COC(F)(F)[C@@H](F)C(F)(F)F 1083807006 NZLUZXMZNARKII-IMJSIDKUSA-N 228.107 2.854 30 40 BFEB N#Cc1cccnc1NCc1cccc(F)c1 20473696 CBLJZZUJTMFUKX-UHFFFAOYSA-N 227.242 2.704 30 40 BFEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/O)o1 57351215 ZWWDZEPSTYTZHA-NTUHNPAUSA-N 246.222 2.971 30 40 BFEB CCCCC(=O)/C=C1/Nc2ccccc2NC1=O 85892432 GORKVMQKUYXBMC-UKTHLTGXSA-N 244.294 2.694 30 40 BFEB CC[C@@](C)(O)C#Cc1ccc(C)cc1C 95633505 WGIKPQYRECIQFQ-CQSZACIVSA-N 202.297 2.816 30 40 BFEB CCCCCCCNCc1cn(C)nc1C 162661190 VOSUJNVTUNIEOJ-UHFFFAOYSA-N 223.364 2.789 30 40 BFEB N#CCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 196101426 YOKGVJFZYWYOJS-UHFFFAOYSA-N 231.038 2.968 30 40 BFEB Cc1ccc(/N=C\c2cccn2C)cc1[N+](=O)[O-] 409101584 YOWRRAWOQYNGNQ-ZROIWOOFSA-N 243.266 2.992 30 40 BFEB C=CCSc1nnc(Cc2ccccc2)n1C 409102654 ZEVOEHPORAMTQY-UHFFFAOYSA-N 245.351 2.684 30 40 BFEB CC(=O)C/C(=N\C(C)C)[C@H](C(C)=O)C(C)C 2047946 QDZUXAAKOJCPBC-REQDGWNSSA-N 225.332 2.676 30 40 BFEB COc1cc(C#N)ccc1OC(=O)C1CCCC1 5511484 BKDFZCNBQSZTRL-UHFFFAOYSA-N 245.278 2.662 30 40 BFEB C=CCN(CC=C)C(=O)C1(C#N)CCCCC1 44765205 BNNCCPLWVWOULL-UHFFFAOYSA-N 232.327 2.661 30 40 BFEB N#CCCN(Cc1ccccn1)[C@@H]1C=CCCC1 96455342 GBIGFRRMTFDVCM-OAHLLOKOSA-N 241.338 2.906 30 40 BFEB C=CCC[C@H](C)NC1CCN(C2CC2)CC1 97375018 TWRWFNYLGKPZCH-LBPRGKRZSA-N 222.376 2.558 30 40 BFEB Cc1ccc(CN2CCC(C#N)CC2)s1 123690312 GQPQNCOUYCSASU-UHFFFAOYSA-N 220.341 2.792 30 40 BFEB CN(Cc1ccccc1)[C@H]1/C(=N/O)[C@H]2CC[C@H]1C2 257345311 YNZIHLDKDXMMJM-MGPZUUONSA-N 244.338 2.747 30 40 BFEB Cc1cc(Cl)ccc1NC(=O)CS 111827 HEIHSEKNPMKKBG-UHFFFAOYSA-N 215.705 2.517 30 40 BFEB C=CC[C@@H](OC(=O)CC)c1ccc2c(c1)OCO2 5781214 VGGOXZMSVPZWAT-LLVKDONJSA-N 248.278 2.986 30 40 BFEB C=CCN1C(=O)S/C(=C/c2ccc(C)o2)C1=O 12406975 INYDXLLXTAASCF-JXMROGBWSA-N 249.291 2.810 30 40 BFEB CC(=O)O/N=C(C)/C=C/c1ccccc1 13756808 XZKLOHCAPLMVJQ-PEGOPYGQSA-N 203.241 2.639 30 40 BFEB CC(=O)[C@H](C#N)c1cccc(C(F)(F)F)c1 36931290 FHPOSGFPGROXIH-JTQLQIEISA-N 227.185 2.902 30 40 BFEB C=CCNC(=O)[C@H](C)Oc1cccc(C(C)C)c1 39996285 VNYYSNRSBAZCQR-LBPRGKRZSA-N 247.338 2.880 30 40 BFEB N#CCc1nc(-c2ccccc2O)cs1 84847081 DFCKIVCAZHEHDU-UHFFFAOYSA-N 216.265 2.582 30 40 BFEB CCCCCCCC(=O)CC(=O)OCC 97971808 YZKPCVHTRBTTAX-UHFFFAOYSA-N 214.305 2.869 30 40 BFEB in-vitro O=C(/C=C/Nc1ccccn1)c1ccccc1 101003800 WXSJJFDDJPPOOO-PKNBQFBNSA-N 224.263 2.890 30 40 BFEB N#Cc1c(Cc2cccc3ccccc23)noc1N 225849645 KQQIXVBXXGVCMA-UHFFFAOYSA-N 249.273 2.872 30 40 BFEB CCCCCn1c(C#N)cc(N)c1OCC 225873528 ZYQMNLJJBFIVQT-UHFFFAOYSA-N 221.304 2.531 30 40 BFEB C=CCNC(=O)CCCOc1ccc(C)cc1C 1913838 KKARHNQZJPYSBG-UHFFFAOYSA-N 247.338 2.765 30 40 BFEB Cn1c(N/N=C/c2ccco2)nc2ccccc21 7343347 PIJTVROHNLWWOK-NTEUORMPSA-N 240.266 2.612 30 40 BFEB Cc1cc(Oc2ccc(C#N)cc2)nc(C)n1 12879030 IMLBALJPIGBGQM-UHFFFAOYSA-N 225.251 2.757 30 40 BFEB N=C(S)N/N=C/c1c(Cl)cccc1Cl 17857041 JWTQZQFPOKSWPZ-UUILKARUSA-N 248.138 2.781 30 40 BFEB Cc1ccc(CC#N)cc1Br 83593238 JZGKZDJFUXPZGW-UHFFFAOYSA-N 210.074 2.824 30 40 BFEB in-vitro N#Cc1ccc(C(=O)N2CCC3(CC2)CC3)cc1 96051084 CJBAPZLHTXTGKZ-UHFFFAOYSA-N 240.306 2.574 30 40 BFEB C=CCOC(=O)c1cccc(-n2cccc2)c1 226244547 ZXQRPGAPBUSDJD-UHFFFAOYSA-N 227.263 2.820 30 40 BFEB N#CC(C#N)=NNc1ccc(C(F)(F)F)cc1 110916 VFGZASZXLDMQJH-UHFFFAOYSA-N 238.172 2.520 30 40 BFEB Cc1cc(C(F)(F)F)[nH]c(=S)c1C#N 1295876 AVJUGRADFNKISA-UHFFFAOYSA-N 218.203 2.943 30 40 BFEB C(=N/Nc1nncc2ccccc12)\c1ccco1 4752222 GQXCZXMQCNFGSF-OQLLNIDSSA-N 238.250 2.669 30 40 BFEB N#Cc1ccccc1/C=C/C(=O)NC1CCCC1 8923506 ZTPKEIBZMARQSL-MDZDMXLPSA-N 240.306 2.630 30 40 BFEB N#Cc1ccc(OC(=O)c2ccsc2)cc1 22392169 ZUMDZDAMDCRFGR-UHFFFAOYSA-N 229.260 2.839 30 40 BFEB C[C@H]1CCCCN1C(=O)Nc1cccc(C#N)c1 40526277 YRCIRJSJMGYZPI-NSHDSACASA-N 243.310 2.965 30 40 BFEB C=C(C)CN(CC)C(=O)c1sc(C)nc1C 55206386 HSTFKFZWVMAFEZ-UHFFFAOYSA-N 238.356 2.798 30 40 BFEB N#Cc1cc(CNc2ccccc2)ccn1 82668418 HZJZZTFPHYBRML-UHFFFAOYSA-N 209.252 2.565 30 40 BFEB O/N=C(/c1ccccc1)[C@H](O)c1ccccc1 100025142 WAKHLWOJMHVUJC-JNINTMOKSA-N 227.263 2.599 30 40 BFEB Cc1cc(C#N)c(C)n1-c1ccc(C(=O)O)cc1 223715464 HEPCSOLSUZHORD-UHFFFAOYSA-N 240.262 2.664 30 40 BFEB CC(=O)C[n+]1ccccc1-c1ccccc1C 1579143 FEZUMFFRYQFPRZ-UHFFFAOYSA-N 226.299 2.539 30 40 BFEB COc1nc(-c2ccccc2)ccc1C#N 4245028 ZMBJGLXQUDYCSH-UHFFFAOYSA-N 210.236 2.629 30 40 BFEB CCCOc1c(Cl)cc(/C=N/O)cc1OC 11960820 WMRDHNYHDYPEFC-NTUHNPAUSA-N 243.690 2.946 30 40 BFEB C[C@@H](C1CC1)N(C)Cc1ccccc1C#N 35207509 HECWDYPHTBCQJH-NSHDSACASA-N 214.312 2.789 30 40 BFEB Cc1cc(C=O)c(C)n1Cc1ccc(C#N)cc1 51354589 GVLGNVGPOQQGDV-UHFFFAOYSA-N 238.290 2.837 30 40 BFEB CCCn1cc(C#N)c(=O)c2cc(F)c(F)cc21 85346134 IKLIZMYTWODCQE-UHFFFAOYSA-N 248.232 2.561 30 40 BFEB N#Cc1ccc(OC(F)(F)Cl)cc1F 95215402 GTHQGVAHICBLAM-UHFFFAOYSA-N 221.565 2.865 30 40 BFEB CCC(=O)OCC#Cc1ccc(Cl)cc1 95631821 JNLHOPDKORSZAX-UHFFFAOYSA-N 222.671 2.645 30 40 BFEB C=CCn1c(C(=O)OCC)cc2oc(C)cc21 1337879 QCBZLPLKZUAUTD-UHFFFAOYSA-N 233.267 2.905 30 40 BFEB FC1(F)C(F)(F)C(F)(F)C1(F)F 2041042 BCCOBQSFUDVTJQ-UHFFFAOYSA-N 200.028 2.541 30 40 BFEB endogenous,in-man COc1cccc2cc(C#N)c(Cl)nc12 11985189 LNOHXSYFQDXLOM-UHFFFAOYSA-N 218.643 2.768 30 40 BFEB Cc1ccc(C)c(C(=O)/C=C/N(C)C)c1 72206340 HQRNITJFVDHPIC-BQYQJAHWSA-N 203.285 2.561 30 40 BFEB Cc1ccc(/C(=N\N)c2ccccc2)s1 83326566 KVYIFTNDBIFXCQ-OWBHPGMISA-N 216.309 2.768 30 40 BFEB CC[C@@H](C)n1c(C#N)cc(N)c1N(CC)CC 225863935 WLTUGUAJMCUAPY-SNVBAGLBSA-N 234.347 2.759 30 40 BFEB C=CCCSc1nc(O)c2c(n1)CCCC2 1888850089 KBEFBUJPPNITDC-UHFFFAOYSA-N 236.340 2.729 30 40 BFEB CCCC(=O)C1=C(OC)CC(C)(C)CC1=O 5297024 UCPXHSCBWORLLG-UHFFFAOYSA-N 224.300 2.645 30 40 BFEB C[C@@H](CN(C)C)C(=O)/C=C\c1cccc(F)c1 17175545 ORZYYCXOZVDYBY-TVRMLOFPSA-N 235.302 2.606 30 40 BFEB CC[C@@H](C)NC(=O)Nc1cccc(OCC#N)c1 48488647 RXGSSBSTADFWTP-SNVBAGLBSA-N 247.298 2.509 30 40 BFEB C=CC[C@@H](O)/C=C/c1ccccc1OC 83311892 WJMSSIRWBOXKGO-BZYZDCJZSA-N 204.269 2.645 30 40 BFEB CC[C@]1(c2ccc(Cl)cc2)O[C@H]1C(=O)OC 85657564 MMUHJHYWWDKJFA-CMPLNLGQSA-N 240.686 2.517 30 40 BFEB Clc1ccc(CN/N=C/c2ccc[nH]2)cc1 10118856 PWGLVQWNLZRXSC-CXUHLZMHSA-N 233.702 2.792 30 40 BFEB COc1cccc(-c2cc(C)nc(N)c2C#N)c1 35278873 ATPLSRIXFKFIPR-UHFFFAOYSA-N 239.278 2.520 30 40 BFEB C=C[C@H](N)c1cccc(Br)c1 83945130 WKJYNZMOMAKRRL-VIFPVBQESA-N 212.090 2.635 30 40 BFEB CCCCCCCCCN/C(N)=N/C1CC1 100738824 QRVGZYGJYJRQKQ-UHFFFAOYSA-N 225.380 2.804 30 40 BFEB CC[C@H](C)C(=O)c1cccc(F)c1C#N 308816634 VQGKJRIOSREMOJ-QMMMGPOBSA-N 205.232 2.926 30 40 BFEB N#CC1(c2cccc(Br)n2)CCC1 721332242 HJRWSJKYOLDONN-UHFFFAOYSA-N 237.100 2.789 30 40 BFEB C=CCNC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C 2317112 NVEKSCIIIWJEKA-APPZFPTMSA-N 248.153 2.880 30 40 BFEB CCOC(=O)[C@H]1CC/C(=C\c2ccccc2)C1=O 4660707 KHALZHFCWRDVCU-XSNHNAGMSA-N 244.290 2.612 30 40 BFEB Cc1ccc(NC(=O)c2cccc(C#N)c2)nc1 12536405 SDZIYBUVPSSXDL-UHFFFAOYSA-N 237.262 2.514 30 40 BFEB CC1=NOC(=O)/C1=C\C=C/c1ccccc1 17917449 JHDGLWZMXLLMLW-CVNCVQKXSA-N 213.236 2.559 30 40 BFEB O=[N+]([O-])c1ccc(N/N=C2\C[C@H]3C=CC[C@@H]23)cc1 20823182 DWBVNUYMYUVDPD-CQFCLUMWSA-N 243.266 2.959 30 40 BFEB N#Cc1ccc(Cl)cc1NC[C@H]1CCOC1 36954522 AMVNTLKGMQOQDC-SECBINFHSA-N 236.702 2.660 30 40 BFEB in-vitro CCc1ccc2oc(=O)c(C#N)c(CC)c2c1 72220100 JYMJOJSFORZSTJ-UHFFFAOYSA-N 227.263 2.789 30 40 BFEB C=C[C@H](N)c1cccc(C(F)(F)F)c1 83945025 ABWUJOISVMJGJB-VIFPVBQESA-N 201.191 2.891 30 40 BFEB in-vitro O=C1CCCC2=C1[C@@H](c1ccccc1)/C(=N/O)O2 104195299 VHQDEJKTZUTIGP-DKASORFFSA-N 243.262 2.595 30 40 BFEB CCCCCCCNCc1c(C)nn(C)c1F 256053334 RANXLUWPDHDQSE-UHFFFAOYSA-N 241.354 2.928 30 40 BFEB C#CCOc1ccc(C(F)(F)F)cc1 1869847 BRORDTRRXFYCDZ-UHFFFAOYSA-N 200.159 2.717 30 40 BFEB C/C(=N\Nc1nc2ccccc2[nH]1)c1ccc[nH]1 7008557 DZHQSEYRLKRUAD-RQZCQDPDSA-N 239.282 2.727 30 40 BFEB CC(C)(C)CN(CCC#N)Cc1ccccn1 71916289 PJYFSQZRAGHEAZ-UHFFFAOYSA-N 231.343 2.843 30 40 BFEB N#Cc1cccc(-c2ccnc(Cl)n2)c1 85788879 YROBKVCHGQWYQM-UHFFFAOYSA-N 215.643 2.669 30 40 BFEB C=CCSc1cc(O)c(C(=O)OC)s1 96510936 ZDWJNWOXUOSICX-UHFFFAOYSA-N 230.310 2.518 30 40 BFEB CC(C)[C@H](O)CCN[C@H](C)c1cccc(C#N)c1 97034575 NHVZRNFEWNZTGH-IUODEOHRSA-N 246.354 2.616 30 40 BFEB CS/C(=N/C#N)Sc1ccccc1 100340171 DFCMEHPDGATCFE-LUAWRHEFSA-N 208.311 2.979 30 40 BFEB CC[C@@H](C)C(=O)Nc1cccc(C#N)c1 13007165 IYGVSSNBXJZUIA-SECBINFHSA-N 202.257 2.543 30 40 BFEB CN(Cc1ccccc1)[C@@H]1/C(=N/O)[C@H]2CC[C@@H]1C2 16188629 YNZIHLDKDXMMJM-KQJDQDCQSA-N 244.338 2.747 30 40 BFEB C/C(=N/O)c1ccc(OCc2cccnc2)cc1 19517576 QPEKYMOYDZAFJD-WJDWOHSUSA-N 242.278 2.859 30 40 BFEB C[C@H]1C[C@H](C)CN(c2ccc(C#N)cc2N)C1 35674210 DYVGLWZQBQRNRH-QWRGUYRKSA-N 229.327 2.623 30 40 BFEB C[C@H]1CCC[C@@H](Nc2ccc(C#N)cn2)C1 37251670 AHQYOMGHFQAWQW-CMPLNLGQSA-N 215.300 2.944 30 40 BFEB C#CCOc1c(C#N)cc(Cl)cc1OCC 225290271 YZCXENFMNIUOKE-UHFFFAOYSA-N 235.670 2.622 30 40 BFEB Cn1cccc1/C=N/c1ccc(C#N)cc1 409097405 NEXBUYBTJGGVBI-XNTDXEJSSA-N 209.252 2.647 30 40 BFEB N#C[C@@]1(c2ccccc2)O[C@@]1(C#N)c1ccccc1 1559025 ZPLPDZCXFNDANZ-HOTGVXAUSA-N 246.269 2.855 30 40 BFEB N#CCCCCC(=O)c1cccc(C#N)c1 2378536 XLPCQYSHJAOBJE-UHFFFAOYSA-N 212.252 2.825 30 40 BFEB Cc1ccc(C(=O)/C=C/[n+]2ccccc2)cc1 4276977 KMSQMKXKSPRSQJ-FMIVXFBMSA-N 224.283 2.636 30 40 BFEB C=CCNC(=O)Nc1ccc(Cl)cc1F 20161027 SFWYIUXGTOGZFK-UHFFFAOYSA-N 228.654 2.787 30 40 BFEB CCC(C)(C)NC(=O)CCc1ccc(C#N)cc1 40476655 SCMJGSNACRDLSY-UHFFFAOYSA-N 244.338 2.796 30 40 BFEB N#CCc1c(F)ccc(F)c1Br 72284345 VMVUSXZOFRZMBU-UHFFFAOYSA-N 232.027 2.793 30 40 BFEB in-vitro O=C(O)c1cccc2c1/C(=N\O)c1ccccc1-2 84466211 UQMFETDKXJWZDS-SQFISAMPSA-N 239.230 2.592 30 40 BFEB C/C(Cl)=N\OC(=O)Nc1ccccc1F 100091943 ZWQKOOUNDRCIRO-AWNIVKPZSA-N 230.626 2.946 30 40 BFEB O=C[C@H]1C(=O)c2ccccc2[C@H]1c1ccccc1 105637648 GOMJDSFBVGLJBG-HUUCEWRRSA-N 236.270 2.830 30 40 BFEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)NCC)C2 616768 WWKODCHKNNHTJY-GWCFXTLKSA-N 207.317 2.505 30 40 BFEB C=CCc1cc2c(cc1OC(C)C)OCO2 1652140 IYDBHLBDGJBBAO-UHFFFAOYSA-N 220.268 2.931 30 40 BFEB NC1=N/C(=N\c2ccccc2F)c2ccccc21 4801733 FOGIFYUPOMDYNM-UHFFFAOYSA-N 239.253 2.623 30 40 BFEB CC(C)(O)C#CC[C@@H]1C[C@@H]2C=C[C@H]1CC2 5379418 FDBFQDFYWXKSEH-FRRDWIJNSA-N 204.313 2.753 30 40 BFEB N#CCc1c[nH]c2cc(Br)ccc12 13379652 MSIDSSLYDVKLRA-UHFFFAOYSA-N 235.084 2.996 30 40 BFEB biogenic N#Cc1ccccc1CNCc1cccs1 19349554 XXWJDDIXHMDHGN-UHFFFAOYSA-N 228.320 2.910 30 40 BFEB CC[C@H]1CCCCN1c1ccccc1/C(N)=N/O 37083333 NMDTZLJMJZWHLS-NSHDSACASA-N 247.342 2.550 30 40 BFEB C=CCNC(=O)c1cc2ccc(Cl)cc2n1C 40788907 HKGJHXFQBYRSBY-UHFFFAOYSA-N 248.713 2.748 30 40 BFEB CC(C)(O)C(F)(F)C(F)(F)C(F)(F)F 72265675 CZPWXOSMOFCBOR-UHFFFAOYSA-N 228.107 2.590 30 40 BFEB C=CCNC(=O)[C@]12CC[C@@H](C1)C(C)(C)C2=C 100261437 HIXCMJQKRMGHHF-SMDDNHRTSA-N 219.328 2.671 30 40 BFEB N#Cc1ccc(N2C[C@H]3CCC[C@@H]3C2)cc1 129121197 AMVKEDQRQWRCNR-CHWSQXEVSA-N 212.296 2.795 30 40 BFEB CCCCCn1c(C#N)cc(N)c1N(CC)CC 225863973 ZNDWUCRDZJAEBH-UHFFFAOYSA-N 248.374 2.978 30 40 BFEB Fc1ccc(C=Nc2ccccn2)cc1 254557727 PVXHXNDPLBGVSE-UHFFFAOYSA-N 200.216 2.971 30 40 BFEB C/C=C/C(=O)Sc1ccc([N+](=O)[O-])cc1 1760692 WYWNXUFYGRSAFX-NSCUHMNNSA-N 223.253 2.790 30 40 BFEB COc1cccc(NC2=CC(=O)CCC2)c1 4235501 YVMLXSGRSJGSRG-UHFFFAOYSA-N 217.268 2.744 30 40 BFEB biogenic CCOC(=O)[C@](C#N)(CC)C(C)=C1CC1 5599428 QCDDSRISLJCDRZ-LBPRGKRZSA-N 207.273 2.580 30 40 BFEB N#Cc1ccc(Oc2ccc(F)cc2)nc1 19478839 MKYJXKKMJYOEGC-UHFFFAOYSA-N 214.199 2.885 30 40 BFEB C=C(Br)Cc1ncccc1C 42750121 CFALGCFOMMDHHE-UHFFFAOYSA-N 212.090 2.841 30 40 BFEB CC[C@H](CC#N)NC(=O)c1ccc(Cl)cc1 54177134 PJKVAGSHARHQON-LLVKDONJSA-N 236.702 2.762 30 40 BFEB N#Cc1cc(Sc2nccs2)ccn1 61815538 OJMSLCGIJRDJPJ-UHFFFAOYSA-N 219.294 2.561 30 40 BFEB in-vitro CC(C)c1ccc(OCn2cc(C#N)cn2)cc1 62701648 OCDMHSUSJBMNLD-UHFFFAOYSA-N 241.294 2.915 30 40 BFEB CN(C)CC#Cc1ccc(OC(C)(C)C)cc1 95631442 FOUJLSAVWAJXHU-UHFFFAOYSA-N 231.339 2.777 30 40 BFEB CCOc1ccc(C#C[C@@](C)(O)CC)cc1 95632062 FDTLMFWQZQSVRO-AWEZNQCLSA-N 218.296 2.598 30 40 BFEB CCN(CC)CC#Cc1ccc(F)cc1C 95632320 IWKOYCPCJKBILI-UHFFFAOYSA-N 219.303 2.827 30 40 BFEB CC1=CC[C@@H](C#N)N(C)[C@@H]1c1ccccc1 5707104 LOSAOWRVOAFYHN-KBPBESRZSA-N 212.296 2.902 30 40 BFEB CNc1oc(/C=C/c2cccs2)nc1C#N 8377591 XLFBEAAXVCHBCT-SNAWJCMRSA-N 231.280 2.820 30 40 BFEB CN(C)c1ccc(/C=N/Cc2ccco2)cc1 16741326 WQKKDNRSUOSJDT-XNTDXEJSSA-N 228.295 2.965 30 40 BFEB C#Cc1cccc(NC(=O)c2ccc(C)o2)c1 41636822 PNWCAJOHADLHEN-UHFFFAOYSA-N 225.247 2.822 30 40 BFEB NCC#Cc1cc(C(F)(F)F)ccc1Cl 91690043 YNYPKLWHECYFHL-UHFFFAOYSA-N 233.620 2.669 30 40 BFEB C[C@H]1CC[C@H]1COc1ccccc1C#N 96526443 IKGUADOPLFWHMY-JQWIXIFHSA-N 201.269 2.983 30 40 BFEB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)C2 100006707 UVURMTGIVKSLEM-QWRGUYRKSA-N 236.315 2.688 30 40 BFEB O/N=C1/[C@H]2CC[C@@H](C2)[C@@H]1Nc1ccccc1F 100964895 HNZBAOWVOAPRDX-XTGUQBQWSA-N 234.274 2.866 30 40 BFEB CN(C)CCC/N=C/c1ccccc1Cl 2380461 IDICIXMXBBLHIV-GXDHUFHOSA-N 224.735 2.711 30 40 BFEB CCN(Cc1ccccc1)c1ccc(C#N)cn1 20362282 XDEKLQFVHFRCJI-UHFFFAOYSA-N 237.306 2.980 30 40 BFEB N#C[C@H](c1ccc(O)cc1)C1(O)CCCCC1 22060690 HVHRRFPUUJSPLA-CYBMUJFWSA-N 231.295 2.695 30 40 BFEB in-vitro CCOC(=O)[C@]1(CC)OC12CCC(C)CC2 86166143 PZCJHIDKOGTIQS-GDKBPFBDSA-N 226.316 2.677 30 40 BFEB Fc1cccc(C#CCO[C@H]2CCCCO2)c1 95632457 SNXJPYSFXWYIEG-AWEZNQCLSA-N 234.270 2.720 30 40 BFEB CCC(=O)OCC#Cc1ccc(C)cc1C 95633524 BXNQIBHQHLMHFJ-UHFFFAOYSA-N 216.280 2.608 30 40 BFEB C#CCO/N=C1/C[C@H]2CC[C@@]1(C)C2(C)C 100196247 RYOCQKYEVIJALB-MRGAIZKKSA-N 205.301 2.838 30 40 BFEB CCOc1ccc(/C=N\O)cc1Br 100250191 DADXKRGJXABYHA-WDZFZDKYSA-N 244.088 2.656 30 40 BFEB Cn1c(Cl)c(/C=N/O)c2ccccc21 100265646 KRVXQXABXBQGGT-WUXMJOGZSA-N 208.648 2.640 30 40 BFEB C=CCN(CC=C)CC(=O)Nc1ccccc1C 46438309 KRFWUUGOEQBKFH-UHFFFAOYSA-N 244.338 2.608 30 40 BFEB COc1ccc(C[C@H](C)S)cc1OC 70711756 CWMZSJPGTFOMSQ-QMMMGPOBSA-N 212.314 2.565 30 40 BFEB C=CCCSc1nnc(C)c(C)c1C#N 96500570 AWAMZGLBHAPBNV-UHFFFAOYSA-N 219.313 2.633 30 40 BFEB C#CCOC(=O)c1ccc(C)c(-n2cccc2)c1 226244623 OUVVDSKVMXAVPS-UHFFFAOYSA-N 239.274 2.576 30 40 BFEB CCc1nc(Cl)c(C#N)c(CC)c1F 256052655 OEGAESUOPRQPID-UHFFFAOYSA-N 212.655 2.871 30 40 BFEB COC(=O)c1sc2ccccc2c1C#N 2243466 AUONLJJLLQNQCK-UHFFFAOYSA-N 217.249 2.560 30 40 BFEB N#Cc1c(-c2ccccc2)nc2sccn12 11535687 RHVWNUWUBFINSN-UHFFFAOYSA-N 225.276 2.934 30 40 BFEB CC(C)C(=O)Nc1ccc(Cl)c(C#N)c1 12915297 OMEFENKLOQTTAL-UHFFFAOYSA-N 222.675 2.806 30 40 BFEB C=C(C)CN1CCC[C@H](N2CCCCC2)C1 69586834 DUVJEBUJISEXCA-AWEZNQCLSA-N 222.376 2.513 30 40 BFEB C=CCCC(=O)Nc1ccc(C)c(C(=O)O)c1 95951101 YUIRDTZOLPHENT-UHFFFAOYSA-N 233.267 2.598 30 40 BFEB O/N=C1/[C@H]2CC[C@@H](C2)[C@@H]1N1CCCCCCC1 100964742 SOJSNMUGHJYLFG-OZJSVWTGSA-N 236.359 2.881 30 40 BFEB Cc1ccc(C)c([C@@H](O)CN(C)[C@H](C)CC#N)c1 108105020 JBKLWIYZLQHJKG-HIFRSBDPSA-N 246.354 2.571 30 40 BFEB CC[C@](C)(C#CCN1CCCCC1)OCCC#N 2294462 NLXXSPMPZIUMIU-OAHLLOKOSA-N 248.370 2.575 30 40 BFEB CO/N=C(\C)[C@H]1C[C@H]1c1ccc(OC)cc1 5382265 AHVMJMWHTPGUEA-ZZHYBKPNSA-N 219.284 2.821 30 40 BFEB N#Cc1ccnc(NCc2ccccc2)c1 19488448 JSTXXCVWJVWQNJ-UHFFFAOYSA-N 209.252 2.565 30 40 BFEB C=CCN(CC=C)Cc1ccc(OC)cc1OC 20058135 PPDLJHCDYZAQCC-UHFFFAOYSA-N 247.338 2.878 30 40 BFEB COC(=O)c1cc(Cl)c(Cl)cc1C#N 38918188 SVHFLKHSMSIMPB-UHFFFAOYSA-N 230.050 2.652 30 40 BFEB O=C(/C=C\C(F)(F)F)c1ccccc1 82030643 VJLGQFKEZZRPDE-SREVYHEPSA-N 200.159 2.988 30 40 BFEB C=CCO[C@H]1[C@H]2CC[C@H]1N(Cc1ccsc1)C2 253377420 XATRRDKZXBTEIT-MJBXVCDLSA-N 249.379 2.914 30 40 BFEB C=CCCC(=O)NCC1(c2ccsc2)CC1 1888897973 OKFBSEOOZJOYMJ-UHFFFAOYSA-N 235.352 2.862 30 40 BFEB Cc1ccc2c(c1)[C@@]1(C)C=CC(=O)C[C@H]1O2 338955 RGTPQXAKJODXMX-ZIAGYGMSSA-N 214.264 2.543 30 40 BFEB C=CCN(CC=C)Cc1ccccc1O 4603236 GGCJPFXOYISGOD-UHFFFAOYSA-N 203.285 2.566 30 40 BFEB Cc1cc(C)c2nc3cc(C#N)ccc3n2c1 16578081 USJMFFGUJLXUNX-UHFFFAOYSA-N 221.263 2.976 30 40 BFEB C[C@H]1C[C@@H](C)CN(C(=O)c2cccc(C#N)c2)C1 19442206 IQHLOEWROSQVBU-TXEJJXNPSA-N 242.322 2.676 30 40 BFEB C=C(C)CSc1nncn1-c1ccccc1 40059286 BRQUJYLNGXUVJB-UHFFFAOYSA-N 231.324 2.936 30 40 BFEB Cc1occc1C(=O)Nc1ccc(CC#N)cc1 48463154 JNAPYNLGZFQDMI-UHFFFAOYSA-N 240.262 2.906 30 40 BFEB Cc1ccc2c(c1)C/C(=C\c1ccnn1C)C2=O 58308630 XWLUFXLJCKYTAA-FMIVXFBMSA-N 238.290 2.551 30 40 BFEB O/N=C/c1c(-c2ccccc2)nc2ccccn12 65008904 OLTLJHNFNNSKHB-XNTDXEJSSA-N 237.262 2.809 30 40 BFEB Cc1nc(N(C)c2ccccc2)ccc1/C=N/O 72224373 QWUSQRHSLHCILT-XNTDXEJSSA-N 241.294 2.966 30 40 BFEB Cc1ccc2ncnc(NC[C@@H](C)C#N)c2c1 92658601 XGBRKDFUBAYAMC-JTQLQIEISA-N 226.283 2.510 30 40 BFEB Cc1cc(C#N)ccc1-c1ccnc(N)c1 98175376 CGBRHJIVXSZXIF-UHFFFAOYSA-N 209.252 2.511 30 40 BFEB O/N=C1\[C@H]2CC[C@@H](C2)[C@H]1n1cnc2ccccc21 100933959 CCDKTRCRBOOFBF-SBEHVRQFSA-N 241.294 2.838 30 40 BFEB C=CCCC(=O)c1ccc2c(c1)CCO2 168416824 DATQTVPHXATGCX-UHFFFAOYSA-N 202.253 2.770 30 40 BFEB COc1ccc(C(=O)C=C(C)C)cc1F 169147608 FVHUIMBPEQLMCT-UHFFFAOYSA-N 208.232 2.983 30 40 BFEB CCC[C@@H](C)C(=O)Nc1ccc(C#N)cc1 4691230 KDPIYIAWLYFYPA-SNVBAGLBSA-N 216.284 2.933 30 40 BFEB O=C1CSC(=S)N1N=C1CCCCCC1 4871837 XJWXCSBHRDOJAX-UHFFFAOYSA-N 242.369 2.557 30 40 BFEB CC[C@H]1S/C(=N\c2cc(C)ccc2C)NC1=O 6870743 VFHPBQQNHUDGRS-LLVKDONJSA-N 248.351 2.933 30 40 BFEB C=C(C)Cn1c(=S)[nH]c2ccccc2c1=O 17729787 WNLISRVBNBGUGG-UHFFFAOYSA-N 232.308 2.635 30 40 BFEB N#CC1CCN(C(=O)c2cccc(Cl)c2)CC1 32104208 QXAVXIGWKXWSCE-UHFFFAOYSA-N 248.713 2.716 30 40 BFEB COC(=O)[C@@H]1O[C@]12CCCC[C@H]2C(C)(C)C 84324280 GPGIASUOVDWLLN-KWBADKCTSA-N 226.316 2.533 30 40 BFEB CCO[C@H]1C[C@H](N(C)CCC#N)C12CCCC2 96419752 ZBFVWFLWNHNFCC-STQMWFEESA-N 236.359 2.570 30 40 BFEB C[C@@H]1C[C@@H](C=O)c2ccccc2N1C(=O)C1CC1 217549183 AHDPIFMVEJIYBV-PWSUYJOCSA-N 243.306 2.504 30 40 BFEB C[C@@H](C#N)OCCCC(F)(F)C(F)(F)F 1083811056 QMOBJUVKAIRWPY-LURJTMIESA-N 231.164 2.893 30 40 BFEB C=CCCC(=O)Nc1ccc(Cl)cn1 2622224 DTIBEZLSUYVWDT-UHFFFAOYSA-N 210.664 2.640 30 40 BFEB CCc1ccc(N[C@H](C#N)c2cnn(C)c2)cc1 12396538 FGEYTRYUEQOCID-CQSZACIVSA-N 240.310 2.659 30 40 BFEB N#C[C@H](N)c1cccc(Cl)c1Cl 19473977 ISPSTNYXZBXKOU-ZETCQYMHSA-N 201.056 2.517 30 40 BFEB in-vitro C=CCNC(=O)c1cc(C)c(CC)s1 40462308 GWTPNBMLIGAKBC-UHFFFAOYSA-N 209.314 2.535 30 40 BFEB Cc1cc(C)c(C#C[C@@H](O)C(C)C)cc1C 95633898 BUHDPDAEPUHDOZ-OAHLLOKOSA-N 216.324 2.980 30 40 BFEB CSc1nc2ccccc2cc1/C=N/O 100381505 JOAXXKUJFTYTGF-KPKJPENVSA-N 218.281 2.765 30 40 BFEB C[C@H]1CCCC[C@@H]1CN(CCC#N)CCC#N 152831007 UAFRMBRGAJEWPZ-UONOGXRCSA-N 233.359 2.942 30 40 BFEB CC(=O)/C=C/[C@H]1CCCN1C(=O)OC(C)(C)C 238036590 PXEJJFUXXGPMCU-WSKFYRRCSA-N 239.315 2.531 30 40 BFEB C=C1CCCN(C(=O)NCc2cccs2)C1 575606145 CYWYVOLEIMLIDN-UHFFFAOYSA-N 236.340 2.610 30 40 BFEB C=C(C)[C@H]1Cc2c(C)nn(-c3ccccn3)c2C1 506443 DPMQKEJDXWBHGI-LBPRGKRZSA-N 239.322 2.867 30 40 BFEB CCOC(=O)C/C(=C/c1ccccc1)C(C)=O 1577665 YYKQKIPQXPEYPP-LCYFTJDESA-N 232.279 2.612 30 40 BFEB N#CCCCCC(=O)c1ccc(C#N)cc1 2378532 NYMMMHHOYAIIQO-UHFFFAOYSA-N 212.252 2.825 30 40 BFEB N#CCCOc1ccccc1C(F)(F)F 19471914 GQMSBOQMVKWBCG-UHFFFAOYSA-N 215.174 2.998 30 40 BFEB O=C(O)c1cccc2c1/C(=N/O)c1ccccc1-2 22246398 UQMFETDKXJWZDS-FYWRMAATSA-N 239.230 2.592 30 40 BFEB N#CCCN1CC=C(c2ccccc2)CC1 46437777 RVXSJZIFGCENAM-UHFFFAOYSA-N 212.296 2.689 30 40 BFEB CCC[C@H](C#N)NC(=O)c1cccc(OCC)c1 71184984 RCPYAYGRQJNIGN-GFCCVEGCSA-N 246.310 2.507 30 40 BFEB Cc1ccc(OCc2ccc(C#N)cc2F)nc1 77240634 WNFLCFLBRIWPEI-UHFFFAOYSA-N 242.253 2.980 30 40 BFEB Cc1ccn(CCC2CCCC2)c(=O)c1C#N 97141171 XKKHNUNAPVZJKM-UHFFFAOYSA-N 230.311 2.609 30 40 BFEB C#CCOc1ccc(C(C)(C)C)cc1C=O 225275875 IRIBKLBTLWMTQO-UHFFFAOYSA-N 216.280 2.809 30 40 BFEB N#CC1(C(=O)Nc2ccc3sncc3c2)CC1 225992022 JDQUZPICRUEQRD-UHFFFAOYSA-N 243.291 2.539 30 40 BFEB Cc1nn(C)c(C)c1/N=C/c1ccccc1 408975049 JALYDBTVWTYBAN-NTEUORMPSA-N 213.284 2.788 30 40 BFEB N#CCSc1nnc2sc3ccccc3n12 2451703 VDGVMUHNHFFAOC-UHFFFAOYSA-N 246.320 2.560 30 40 BFEB Cc1[nH]c2ccccc2c1/N=C/N(C)C 4113390 BLOKGKJSWHNMLO-MDWZMJQESA-N 201.273 2.698 30 40 BFEB CC(=O)N(O)c1ccc2c(c1)Cc1ccccc1-2 5196784 SOKUIEGXJHVFDV-UHFFFAOYSA-N 239.274 3.000 30 40 BFEB in-vitro O/N=C1\[C@H]2CC[C@H](C2)[C@@H]1Sc1ccccn1 5338768 DIDZHGDTOINNTQ-PFBLWHBBSA-N 234.324 2.802 30 40 BFEB C=C(C)CNc1ccccc1C(=O)NC1CC1 12528649 HTOCXRHHINTPNT-UHFFFAOYSA-N 230.311 2.567 30 40 BFEB N#Cc1cc2c(nc1Br)CCCC2 32263889 XMQNLGKWZDZTSR-UHFFFAOYSA-N 237.100 2.595 30 40 BFEB N#Cc1c(-c2ccco2)ccnc1Cl 49812994 DZBBEERZMMHQBM-UHFFFAOYSA-N 204.616 2.867 30 40 BFEB O=C[C@H]1C[C@H]1c1cccc(Br)c1 96530094 PMWAAQNRSYMNAH-SCZZXKLOSA-N 225.085 2.752 30 40 BFEB C/N=C1\c2ccccc2[C@]2(c3ccccc3)[C@@H]1N2C 104099869 QEXUUISPQMKPAE-YKJWUSAKSA-N 248.329 2.677 30 40 BFEB Cc1nc(C)c(CNc2ccc(C#N)nc2)s1 195575487 XAPQRCJLULSCOG-UHFFFAOYSA-N 244.323 2.639 30 40 BFEB CC(C)Oc1ccc(Br)c(C#N)n1 225736099 VFVZHBAEERNZIL-UHFFFAOYSA-N 241.088 2.503 30 40 BFEB C=CCNC(=O)NCC(C)(C)c1ccsc1 1565519228 FKBBVTFJJBIIHU-UHFFFAOYSA-N 238.356 2.511 30 40 BFEB C=CCCC(=O)NCc1ccc(C2CC2)nc1 1565522058 PCUQDFCGBMGEMM-UHFFFAOYSA-N 230.311 2.541 30 40 BFEB O=C(C=Cc1ccc(O)cc1)c1ccccc1O 1857776294 FGPJTMCJNPRZGF-UHFFFAOYSA-N 240.258 2.994 30 40 BFEB O=C(/C=C/c1ccccc1)[C@]12CCCC[C@H]1O2 163748 NGZQTNPQEMVTTL-SXKCSBRWSA-N 228.291 2.981 30 40 BFEB N#Cc1cc(Br)cc2[nH]ccc12 2506895 ZGACZDHTHZGXJB-UHFFFAOYSA-N 221.057 2.802 30 40 BFEB in-vitro C=CC[C@H](C(=O)C(C)(C)C)C(=O)C(C)(C)OC 20150257 JUKFPUJTOYOTAG-SNVBAGLBSA-N 240.343 2.788 30 40 BFEB C=CCN1CCC([C@@H](O)c2ccccc2)CC1 42634817 MSAQDJFDEFLSLP-HNNXBMFYSA-N 231.339 2.618 30 40 BFEB CC(=O)C1=CN(Cc2ccccc2)C=CC1 140276114 XJYYZGLSXLQVOD-UHFFFAOYSA-N 213.280 2.879 30 40 BFEB O/C(C[C@@H]1C=CCCC1)=N/Cc1ncccc1O 329913951 CDQXABCSYSTFFY-LLVKDONJSA-N 246.310 2.990 30 40 BFEB N#Cc1cccc(NC(=O)c2ccc(F)cc2)c1 95896 DQWQTJDJHRYEQK-UHFFFAOYSA-N 240.237 2.950 30 40 BFEB C=CC[C@](C#N)(C(=O)OCC)/C(C)=C/CC 1716511 YLNSVSVUJNMTES-RUNBWSAHSA-N 221.300 2.992 30 40 BFEB C#CC[N+]1(CC#Cc2ccccc2)CCCCC1 2227510 WPOKQAYNGSQLFE-UHFFFAOYSA-N 238.354 2.672 30 40 BFEB CCc1ccc([C@@H]2COCCN2CCCC#N)o1 96413024 QJGYQRMMNTVTCT-ZDUSSCGKSA-N 248.326 2.519 30 40 BFEB CCCCCCCCCC/C=N\NC(=N)N 100302079 YEVDMXAKGHITKL-PTNGSMBKSA-N 226.368 2.986 30 40 BFEB C#Cc1cc(C(F)(F)F)c(F)cc1F 238598248 KLMANNPOOQXUHT-UHFFFAOYSA-N 206.113 2.965 30 40 BFEB CCCCCCCNCc1ccn(CC)n1 256054231 VMZLNVJOLHDAIO-UHFFFAOYSA-N 223.364 2.963 30 40 BFEB O=C1C=CC2=C3CC[C@H]4CCC[C@@H]4N3CCC2=C1 377843637 AFZUMYMXNCDSQR-ABAIWWIYSA-N 241.334 2.974 30 40 BFEB in-man Cc1[nH]c2ccccc2c1C1=CC(=O)C=CC1=O 1676028 SYIXSZIGHISTNJ-UHFFFAOYSA-N 237.258 2.568 30 40 BFEB C=CCNc1ncnc2cc(Cl)ccc12 4060584 DRXXHDVDHJKACW-UHFFFAOYSA-N 219.675 2.881 30 40 BFEB C[C@@H]1CC[C@](C)(C(=O)C[N+](C)(C)C)C1(C)C 4266799 OVSUYKFDMHUGIX-BXUZGUMPSA-N 226.384 2.724 30 40 BFEB CCO/C=N/c1[nH]c(SCC)c(C#N)c1C#N 17355076 AZLMULPLVCXBJG-VGOFMYFVSA-N 248.311 2.566 30 40 BFEB C[C@H]1CCCN(C(=O)Nc2ccc(C#N)cc2)C1 45026960 UHVAYJFPXYLXLF-NSHDSACASA-N 243.310 2.822 30 40 BFEB C[C@@H](CCNC[C@@H](C)C#N)c1ccccc1 54181871 TWQGHZWRPWTFBH-STQMWFEESA-N 216.328 2.929 30 40 BFEB Cc1cccc2c1C/C(=C\c1csnn1)C2=O 84229769 PKBHUOACOYUMHF-WEVVVXLNSA-N 242.303 2.669 30 40 BFEB CN(CCC#N)c1ccnc2ccsc12 95428375 IXJMNHRHXGXONQ-UHFFFAOYSA-N 217.297 2.646 30 40 BFEB O/N=C/C(O)=N\c1ccc2ccccc2c1 103612059 ILGLRQPETIIUMV-MDWZMJQESA-N 214.224 2.888 30 40 BFEB CC(C)[C@H](C#N)N1CCC[C@@H](C(F)(F)F)C1 225520903 FNGPWPLVMLHACB-ZJUUUORDSA-N 234.265 2.809 30 40 BFEB Cc1ccccc1-n1cnnc1S[C@@H](C)C#N 4501107 QBBNALGFYAWTJF-JTQLQIEISA-N 244.323 2.580 30 40 BFEB CCO[C@@H]1C=C/C(=C/C#Cc2ccccc2)O1 5463034 VJVOHZIUGKFJDC-LTBFUDJGSA-N 226.275 2.871 30 40 BFEB CC(C)/C(Cl)=N/OC(=O)Nc1ccccn1 8445344 MYTSSGRGOOFIJD-ZROIWOOFSA-N 241.678 2.838 30 40 BFEB C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(C#N)c2)C1 19442204 IQHLOEWROSQVBU-VXGBXAGGSA-N 242.322 2.676 30 40 BFEB C=CCNC(=O)[C@H](C)Nc1ccc(C(C)C)cc1 20314424 UVRFXYACIKRVCU-LBPRGKRZSA-N 246.354 2.913 30 40 BFEB N#Cc1cc(Cl)c(O)c(Br)c1 34319008 HUMVTCUIXLNMDF-UHFFFAOYSA-N 232.464 2.680 30 40 BFEB CC[C@](C)(O)C#Cc1ccc(F)cc1C 95632295 LXDWPPRRBJOSTK-ZDUSSCGKSA-N 206.260 2.647 30 40 BFEB C=C(C)CSc1nnc(-c2ccccc2O)[nH]1 192945596 LRUWZFQHXSZOQY-UHFFFAOYSA-N 247.323 2.846 30 40 BFEB CCCN1C(=O)[C@@H](CC#N)c2cc(C)ccc21 218748722 DEFKJOMREUNLMT-NSHDSACASA-N 228.295 2.749 30 40 BFEB O=C1ONC2(CCCCCC2)Nc2ccccc21 174460 URZXXYDRZSXICE-UHFFFAOYSA-N 246.310 2.824 30 40 BFEB O=[N+]([O-])c1ccc(C#Cc2ccccc2)cc1 1510001 JWCIMYGAABSRQD-UHFFFAOYSA-N 223.231 2.995 30 40 BFEB Cc1cc(/C=N/N(C)C)c(C)n1-c1ccccc1 3170384 NJPQWAYMNBVKRD-LFIBNONCSA-N 241.338 2.990 30 40 BFEB CCOC(=O)[C@H]1C(C)=C/C(=N\O)C[C@@H]1C(C)C 4551711 MMWYVGAUSFBYND-GWQMMKDHSA-N 239.315 2.618 30 40 BFEB N#CC[C@H](C(=O)c1cccnc1)c1ccccc1 6575710 RMPSWTOARDWNGI-AWEZNQCLSA-N 236.274 2.962 30 40 BFEB CCCOc1ccc(/C(C)=N/N)cc1OCC 26953838 WCJQBXTXRZGQDR-XNTDXEJSSA-N 236.315 2.557 30 40 BFEB c1ccc(CO/N=C2/CCn3cccc32)cc1 84539354 GTMAEGSJXGNUQU-SQFISAMPSA-N 226.279 2.813 30 40 BFEB Cc1cccc(C(=O)O[C@@H]2CC[C@@H](C#N)C2)c1 89669061 GGFNNPJMECRQFP-DGCLKSJQSA-N 229.279 2.844 30 40 BFEB C=CCN[C@@H](C)c1nc2ccccc2n1CC 95941265 RAQFVAYVTZGHGG-NSHDSACASA-N 229.327 2.893 30 40 BFEB COc1ccc2[nH]cc(/C(Cl)=N/O)c2c1 228915035 XTRQXJWLOHCCJM-RAXLEYEMSA-N 224.647 2.551 30 40 BFEB S=C(NN=C1CCCC1)Nc1ccccc1 491773 HETDFALOTWJVAS-UHFFFAOYSA-N 233.340 2.903 30 40 BFEB C=CCOc1ccc(C(=O)N(CC)CC)cc1 8558184 JMIVJACWLVJZEL-UHFFFAOYSA-N 233.311 2.733 30 40 BFEB CCOc1cc(/C=N/O)cc(Cl)c1OC 13111568 KSIQIJQOBJLICW-WUXMJOGZSA-N 229.663 2.555 30 40 BFEB N#Cc1ccnc(Nc2ccc(F)cc2)c1 19503012 BYPSOTBKPIKIBD-UHFFFAOYSA-N 213.215 2.836 30 40 BFEB in-vitro CCC/C=C(/CC)[C@@H]1O[C@H]1C(=O)OC(C)C 4803864 COVXIMCIMZBJSV-NVSPSJGQSA-N 226.316 2.842 30 40 BFEB Cc1noc(C)c1COc1ccccc1C#N 5216079 YBIKEJPJTAUYIB-UHFFFAOYSA-N 228.251 2.742 30 40 BFEB CC(=O)CC[C@H]1C(C)=CC(=O)CC1(C)C 14587630 GSTVTHMQXVKNQF-LBPRGKRZSA-N 208.301 2.917 30 40 BFEB biogenic,in-vitro CN(Cc1cccc(F)c1)c1ccc(C#N)cn1 20266785 BKVGVESEHLUITC-UHFFFAOYSA-N 241.269 2.729 30 40 BFEB C=C(Cl)Cn1ccc(=O)c2sccc21 78989764 USFYRLNVTBDBQO-UHFFFAOYSA-N 225.700 2.816 30 40 BFEB N#Cc1nccc2ccc(Br)cc12 82766656 QSIXWRLIZIRUDP-UHFFFAOYSA-N 233.068 2.869 30 40 BFEB COc1ccc(N/C(C)=C/C(C)=O)cc1 101517855 JTFBNACOTNWCAK-CMDGGOBGSA-N 205.257 2.600 30 40 BFEB N#C[C@H]1[C@H]2CC[C@@H]([C@H]3[C@H]2N3c2ccccc2)[C@H]1C#N 102865922 ZBELJUULTIMALZ-GINDOOPQSA-N 249.317 2.563 30 40 BFEB CC1(C)C[C@H](O[C@@H]2CCCCO2)[C@@H]2O[C@]2(C)C1 104208924 FZQIFZSZUOJRQD-KZVDOYCCSA-N 240.343 2.876 30 40 BFEB C#CCOc1ccc(C(C)(C)C)cc1C#N 225291963 QDZPKOMNMKWTLY-UHFFFAOYSA-N 213.280 2.868 30 40 BFEB CC1CCN(c2c(N)cc(C#N)n2C(C)C)CC1 225866445 YDZPOOJHOIHAFT-UHFFFAOYSA-N 246.358 2.759 30 40 BFEB C=CCOc1c(CC=C)cc(CO)cc1OCC 409112148 FDIHLFPRGZUZGS-UHFFFAOYSA-N 248.322 2.871 30 40 BFEB CC(=O)c1ccc(Nc2ccncc2C#N)cc1 685937521 IKYGHGWEBNKQHH-UHFFFAOYSA-N 237.262 2.899 30 40 BFEB COc1ccc(Sc2nccnc2C#N)cc1 1383012 PFQDEKNPSYXBHO-UHFFFAOYSA-N 243.291 2.508 30 40 BFEB CCCOc1ccc([C@H](C#N)CC(=O)O)cc1 2289048 BLCPNZPMALVCGE-NSHDSACASA-N 233.267 2.557 30 40 BFEB C/N=C(/S)N/N=C(\C)c1ccc(C)c(C)c1 8692051 DIEHCOWDEVGPAM-GXDHUFHOSA-N 235.356 2.533 30 40 BFEB C=C(C)c1nc(C#N)c(NCc2ccco2)o1 8915512 PZGBPRWZWSUTTB-UHFFFAOYSA-N 229.239 2.784 30 40 BFEB N#Cc1cccc(NC(=O)OCC(F)(F)F)c1 32627973 QWFWONUFJZFQMK-UHFFFAOYSA-N 244.172 2.669 30 40 BFEB in-vitro C#Cc1ccc(CNC(=O)OC(C)(C)C)cc1 95830062 ZUTWALFGFAKUHZ-UHFFFAOYSA-N 231.295 2.693 30 40 BFEB C=CCN1CC[C@@H]2[C@@H]1CCN2Cc1ccsc1 96055798 AZBWRTKPQCIUEO-UONOGXRCSA-N 248.395 2.583 30 40 BFEB Cc1ccc(O)c(/C=N/c2cc(C)on2)c1 295530 FDUJGCQKXHEKCB-NTUHNPAUSA-N 216.240 2.748 30 40 BFEB O=C1/C(=C/c2cccs2)Cn2cccc21 25057233 ZYVKDLPBVNOPKN-VQHVLOKHSA-N 215.277 2.830 30 40 BFEB Cc1cc(Br)ccc1C(=O)CC#N 36830416 OTPYYRJREMNYOA-UHFFFAOYSA-N 238.084 2.854 30 40 BFEB COC(=O)C#Cc1ccc(Cl)c(Cl)c1 70834927 IJHGABMFFRVDDA-UHFFFAOYSA-N 229.062 2.518 30 40 BFEB N#CCCCCCOc1ccc(C=O)cc1 95731824 LXOWZKHTKSZKIU-UHFFFAOYSA-N 217.268 2.962 30 40 BFEB C=C(C)CCC[C@@H](C)CCOC(=O)C(C)=O 1656089 PTPFBQVLXZKNTP-LLVKDONJSA-N 226.316 2.891 30 40 BFEB C[N+](C)(C)[C@@H](C1=CCCC1=O)c1ccccc1 1711970 UNGBEOHVVJLIAD-OAHLLOKOSA-N 230.331 2.723 30 40 BFEB in-vitro O=C(/C=C/c1ccccc1)[C@@]12CCCC[C@@H]1O2 4280654 NGZQTNPQEMVTTL-CWCINCBISA-N 228.291 2.981 30 40 BFEB CCC[C@@H]1CC(=O)C=C(C)[C@H]1C(=O)OCC 4726747 KDIZYDOQEYHUCP-ZYHUDNBSSA-N 224.300 2.501 30 40 BFEB C[C@@H](C#N)Sc1ncnc2sccc12 6115493 VTANMDVKHMGWDB-LURJTMIESA-N 221.310 2.695 30 40 BFEB OCc1ccccc1/N=C/c1ccccc1O 12495693 KGPJDFCGZWTJAP-OQLLNIDSSA-N 227.263 2.635 30 40 BFEB CC(=O)Oc1ccc(/C=C(\C)C(C)=O)cc1 16990295 IJCWMRYUMHIUJK-CMDGGOBGSA-N 218.252 2.604 30 40 BFEB CCCCC#CCN(CC#CCCCC)CCO 34834424 JPWSCFIOTNEPDV-UHFFFAOYSA-N 249.398 2.668 30 40 BFEB CCCCCCCCCC[C@@H](O)CN 43574787 VIXJLJIOHUCFAI-GFCCVEGCSA-N 201.354 2.837 30 40 BFEB N#Cc1c(-c2ccncc2)ccnc1Cl 49815901 PWRZAHITEVRFSX-UHFFFAOYSA-N 215.643 2.669 30 40 BFEB N#CCc1nc(-c2ccc(O)cc2)cs1 84846971 CMIGLFUTBISGQV-UHFFFAOYSA-N 216.265 2.582 30 40 BFEB C=CC[C@@H](C)[C@H](C)Nc1cnn(C)c1C 95991773 OXWNHTNHUVBLJB-ZJUUUORDSA-N 207.321 2.741 30 40 BFEB O=C(/C=C/c1ccc(O)c(O)c1)c1ccccc1 3921793 HHKVOYUYPYZFHJ-SOFGYWHQSA-N 240.258 2.994 30 40 BFEB in-vitro Cc1nc(SCC#N)c(C#N)c2c1CCCC2 5336632 QMKJFQWNEIJNAT-UHFFFAOYSA-N 243.335 2.756 30 40 BFEB CCC[C@@]1(C(=O)OCC)OC12CCCCC2 5560951 YSVKANOHBGCUAI-ZDUSSCGKSA-N 226.316 2.822 30 40 BFEB CC[C@@H](C)C(=O)N[C@H](C#N)c1ccccc1F 71889078 BBLSDWXNFANPKJ-BXKDBHETSA-N 234.274 2.553 30 40 BFEB N#Cc1sc(SCc2ccccc2)nc1N 309221530 PRIWEDADCOOIGJ-UHFFFAOYSA-N 247.348 2.889 30 40 BFEB OC[C@]1(c2ccccc2)O[C@@H]1c1ccccc1 1659996 ZEVYUFMALOLWIC-HUUCEWRRSA-N 226.275 2.646 30 40 BFEB CCCCOC(=O)[C@@H]1O[C@@]1(C)c1ccc(C)cc1 1733582 NCXFPBKPSJBSBJ-ZFWWWQNUSA-N 248.322 2.952 30 40 BFEB Cc1cc(O)c2c(c1)O/C(=C\c1ccco1)C2=O 11865217 JRSSDMMQUZHCPG-GHXNOFRVSA-N 242.230 2.910 30 40 BFEB CC1(C)CC(=O)C2=C(C1)OC(C)(C)C=C2 26897672 YAYCNUNJYZSAIP-UHFFFAOYSA-N 206.285 2.995 30 40 BFEB Cc1cc(Oc2cccc(F)c2C#N)ncn1 96484701 WNSJXVGMULCCJC-UHFFFAOYSA-N 229.214 2.588 30 40 BFEB Cc1cc(CN(CCC#N)CCC#N)c(C)o1 97100477 XRALCWDRLZWHNS-UHFFFAOYSA-N 231.299 2.526 30 40 BFEB CC[C@H](CC#N)OC(=O)c1ccc(F)cc1 195577123 NDXRCKRYWYEOKM-LLVKDONJSA-N 221.231 2.675 30 40 BFEB CCc1c(N)cc(C#N)n1C1CCCC1 225853063 JAFDLECKSHRCEV-UHFFFAOYSA-N 203.289 2.619 30 40 BFEB C=CCn1c(CO)ccc1CCC(C)C 226025106 CFIITRMIYWYTFF-UHFFFAOYSA-N 207.317 2.755 30 40 BFEB O=C1C(c2ccccn2)=C(O)c2ccccc21 3832421 BZTFXIANCZFDOW-UHFFFAOYSA-N 223.231 2.704 30 40 BFEB C/C=C\c1cc2c(cc1CC#N)OCO2 4682979 MNHXCINCHGLVHR-IHWYPQMZSA-N 201.225 2.514 30 40 BFEB N#Cc1ccc(NCc2cccnc2)c(F)c1 37507399 MPPBVZQBBBHKMC-UHFFFAOYSA-N 227.242 2.704 30 40 BFEB CCCCCCCCC(=O)N1CCCNCC1 100414327 DFTPVYKIXIGUOV-UHFFFAOYSA-N 240.391 2.559 30 40 BFEB O=C1C=C/C(=N/c2ccc(O)c3ccccc23)O1 104095668 GGQULYPIZGUDIZ-SQFISAMPSA-N 239.230 2.688 30 40 BFEB Cc1oc2cc(C#N)c(C#N)cc2c1[C@H](C)O 66087644 UQNDWFIZWPPECX-ZETCQYMHSA-N 226.235 2.538 30 40 BFEB CCc1ccc(-c2cc(CC#N)n[nH]2)cc1 72220379 TWNHHDAZIXNMPY-UHFFFAOYSA-N 211.268 2.705 30 40 BFEB C=CCCN1C(=O)CC2(CCC(C)CC2)C1=O 72293910 FNGUCJQJZWQQGT-UHFFFAOYSA-N 235.327 2.518 30 40 BFEB CCCC[C@H](O)C#Cc1cc(OC)cc(OC)c1 95632009 ORIBADZDTGZOQT-ZDUSSCGKSA-N 248.322 2.606 30 40 BFEB C=CC(=O)C[C@@H](O)c1ccc(Cl)cc1 2036472 UEOIKIHSLGCKOL-LLVKDONJSA-N 210.660 2.519 30 40 BFEB CCC[C@@H](C)C(=O)Nc1cccc(C#N)c1 12820637 PNAOAPKLODCTNC-SNVBAGLBSA-N 216.284 2.933 30 40 BFEB Cc1ccc(C#C[C@@](C)(O)c2ccccc2)cn1 22339798 MHUAQMHTKLWJSD-MRXNPFEDSA-N 237.302 2.649 30 40 BFEB C=CCC1=C(C)[C@@]2(OC1)C(=O)Nc1ccccc12 26897603 TURWWHYDLHIZPC-HNNXBMFYSA-N 241.290 2.757 30 40 BFEB CC(C)C[C@](C)(C#N)NC(=O)OC(C)(C)C 73633077 CUILSLRXDDUPRS-GFCCVEGCSA-N 226.320 2.839 30 40 BFEB C[C@@H]1CCN(c2ccc(C#N)nc2)[C@H](C)C1 81003958 JHZRTMARNAEOGP-GHMZBOCLSA-N 215.300 2.578 30 40 BFEB C[C@H](C1CC1)N(CCC#N)C[C@H]1CCC=CO1 252539683 OIOUTVUEKAZJHD-TZMCWYRMSA-N 234.343 2.693 30 40 BFEB C=CCc1ccccc1OC[C@@H]1CCCNC1 14631189 FQKPPSMMGYQIRJ-CYBMUJFWSA-N 231.339 2.794 30 40 BFEB in-vitro C=CCn1c(C)nc2sc(C)c(C)c2c1=O 19992305 QLRPJJGKSUMGQD-UHFFFAOYSA-N 234.324 2.569 30 40 BFEB O/C(=N\c1ncn[nH]1)[C@@H]1CCCc2ccccc21 23140709 FXKORUSEAUIXHH-LLVKDONJSA-N 242.282 2.513 30 40 BFEB CC(C)(C#N)C(=O)Nc1ccc(F)c(Cl)c1 32937578 PGWVAHPQPGOKDG-UHFFFAOYSA-N 240.665 2.967 30 40 BFEB N#CCSCC(=O)Nc1ccccc1Cl 40088043 UZXLROFXBZOKSB-UHFFFAOYSA-N 240.715 2.535 30 40 BFEB Cc1ccc(/C=C/C(=O)c2cnn(C)c2)cc1 49151392 NCAJQAVDBHWBDR-BQYQJAHWSA-N 226.279 2.625 30 40 BFEB Cc1cc(C)c(C#C[C@H](O)C(C)C)cc1C 95633897 BUHDPDAEPUHDOZ-HNNXBMFYSA-N 216.324 2.980 30 40 BFEB CCCn1nc(C2CCCCC2)c(C#N)c1N 225830507 KDSGOVDDTZJCNJ-UHFFFAOYSA-N 232.331 2.795 30 40 BFEB CC1CC(COc2ccc(C=O)cc2C#N)C1 575422576 IANWUBXDSUCUOT-UHFFFAOYSA-N 229.279 2.796 30 40 BFEB CSc1ccc(/C=C2\C(=O)ON=C2C)cc1 4558139 RHZAVLPYPYVIKW-XFFZJAGNSA-N 233.292 2.725 30 40 BFEB N#Cc1c(Cl)cncc1-c1ccc(O)cc1 91690830 JZPWVRNKOJTETG-UHFFFAOYSA-N 230.654 2.979 30 40 BFEB CCCCCCCC(=O)N1C[C@H](C)OC[C@@H]1C 102810913 IQUDBSWHMAKLSU-STQMWFEESA-N 241.375 2.983 30 40 BFEB CC1(C)O[C@]12[C@H]1CC[C@H]2[C@H]2[C@@H]1C=C[C@@]21OC1(C)C 104104536 POYSTDSITBWHIH-WABDHJOZSA-N 246.350 2.924 30 40 BFEB C[C@@H](C(=O)C1CCCCC1)[n+]1ccccc1 6485447 MZTJPXNHDPCUKF-LBPRGKRZSA-N 218.320 2.685 30 40 BFEB C=C1CC[C@H](O)[C@]2(C)CC[C@H]([C@H](O)C(C)C)[C@H]12 14618419 OZBVMKPZPKMEGY-LXFSFDBISA-N 238.371 2.747 30 40 BFEB biogenic,in-vitro CC(=O)[C@H](C#N)c1ccccc1Br 55333563 HEOYKLZVKFUKNR-VIFPVBQESA-N 238.084 2.645 30 40 BFEB C=CCCC(=O)Nc1ccc(C(C)=O)cc1 59520239 FDMGTNAAASKMQM-UHFFFAOYSA-N 217.268 2.794 30 40 BFEB CC[C@@]1([C@H]2CCCN2C(=O)OC(C)(C)C)CO1 72207976 FVSIKEXSQBOLKP-MFKMUULPSA-N 241.331 2.565 30 40 BFEB O=C(/C=C(\O)C(F)(F)F)c1ccccc1 100053568 FOIZANFRLYGPFF-TWGQIWQCSA-N 216.158 2.874 30 40 BFEB C=CCOc1ccc(NC(=S)NC2CC2)cc1 225335821 FYTYBTPGNDGQTN-UHFFFAOYSA-N 248.351 2.700 30 40 BFEB Cc1ccc(Cn2c(C#N)cc(N)c2Cl)cc1 225890175 NGMNAZLVMZHLHK-UHFFFAOYSA-N 245.713 2.952 30 40 BFEB C=C(C)C(=O)c1cc(F)c(F)cc1OC 393731728 IIEQTOVPQYVZOO-UHFFFAOYSA-N 212.195 2.732 30 40 BFEB CC(=O)Nc1ccc(C2(C#N)CCCC2)cc1 244082 LRXUAPSCUJTWCZ-UHFFFAOYSA-N 228.295 2.980 30 40 BFEB O=C1CCC/C1=C\c1ccc([N+](=O)[O-])cc1 1685389 PFSPXVYIKPTEGN-CSKARUKUSA-N 217.224 2.731 30 40 BFEB C=CCNC(=O)c1csc(-c2ccccc2)n1 3069967 HPSJITMHRJUUMB-UHFFFAOYSA-N 244.319 2.726 30 40 BFEB CC(C)(C)C1=CCN(C(C)(C)/C=N\O)CC1 17140325 MXZPCXFYMXSSPF-UVTDQMKNSA-N 224.348 2.903 30 40 BFEB C=C(Cl)Cc1cc(OC)cc(OC)c1 43208805 KFWAFKFFWZLFSF-UHFFFAOYSA-N 212.676 2.999 30 40 BFEB Cc1cc(F)ccc1CN(CCC#N)CCC#N 97049982 QHRSDKGAMRENHJ-UHFFFAOYSA-N 245.301 2.763 30 40 BFEB CCCCCCCC(=O)N1C[C@@H](C)OC[C@@H]1C 102810918 IQUDBSWHMAKLSU-QWHCGFSZSA-N 241.375 2.983 30 40 BFEB C[C@H]1CC[C@@](C)(C(=O)C[N+](C)(C)C)C1(C)C 4266796 OVSUYKFDMHUGIX-FZMZJTMJSA-N 226.384 2.724 30 40 BFEB NC(=S)NN=C1CCCCCCCCC1 5413433 DRNLODMFWUMQSP-UHFFFAOYSA-N 227.377 2.700 30 40 BFEB CCOP(=O)(OCC)[C@H](C#N)OC(C)(C)C 5839072 XKFOVAFSZZPVTI-SECBINFHSA-N 249.247 2.917 30 40 BFEB N#Cc1cccc(NC(=O)N[C@H]2CC=CCC2)c1 76779698 UHCYMFONALHDHV-LBPRGKRZSA-N 241.294 2.788 30 40 BFEB CSc1ccc(C(=O)/C=C/N(C)C)cc1 82546008 ZKGDLNVEUWPSDB-CMDGGOBGSA-N 221.325 2.667 30 40 BFEB CC[C@](C)(O)C#Cc1ccc(C)cc1C 95633504 WGIKPQYRECIQFQ-AWEZNQCLSA-N 202.297 2.816 30 40 BFEB CCCC/N=C(\C)C1C(=O)c2ccccc2C1=O 100402010 LXBUPABMLWPMLX-MHWRWJLKSA-N 243.306 2.943 30 40 BFEB investigational C#CCCCC#CCN(C(C)C)C(C)C 2286776 MZLLJVHINVPQPF-UHFFFAOYSA-N 205.345 2.912 30 40 BFEB C=C(Br)Cc1ccc(O)cc1 13537422 WKICBXAXOSSORQ-UHFFFAOYSA-N 213.074 2.843 30 40 BFEB Cc1cc(Oc2ccccc2)ncc1/C=N/O 72223144 SWGUDZZLPCOONA-OQLLNIDSSA-N 228.251 2.990 30 40 BFEB C=C(Cl)CN(C)[C@H](CCO)c1ccccc1 75899979 GMFRAIZJHRTONK-CYBMUJFWSA-N 239.746 2.794 30 40 BFEB C=CCNC(=O)N[C@@H]1CCC[C@@H](SCC)C1 84811931 DRRBRSPMHLEPOR-GHMZBOCLSA-N 242.388 2.536 30 40 BFEB COC(=O)[C@@](C)(C#N)Cc1ccccc1Cl 94993274 IHZFAQXCAFVLSO-GFCCVEGCSA-N 237.686 2.585 30 40 BFEB CC[C@@H]1CN(Cc2ccccc2)C[C@H]1C#N 253608328 BIYUBPAZRFIARZ-ZIAGYGMSSA-N 214.312 2.668 30 40 BFEB COc1ccc(/N=C/c2ccncc2)cc1 50449 KXRDLSYLPKPOSU-XNTDXEJSSA-N 212.252 2.841 30 40 BFEB C[C@@H]1CCCCN1Cc1ccccc1C#N 812170 LGJZQPRCELUOGP-GFCCVEGCSA-N 214.312 2.933 30 40 BFEB CN(C(=O)c1ccc(C#N)cc1)c1ccccc1 13023020 WCVLWRUSPOAKFQ-UHFFFAOYSA-N 236.274 2.835 30 40 BFEB C=CC[C@H](O)c1cc(C)c(OC)c(C)c1 15441063 PQLNUTKTMGEDQH-LBPRGKRZSA-N 206.285 2.922 30 40 BFEB C#Cc1cccc(NC(=O)C2CCCC2)c1 15584082 IDRYJNQUQJXOJG-UHFFFAOYSA-N 213.280 2.797 30 40 BFEB CC[C@@H]1CCCCN1c1ccccc1/C(N)=N/O 37083332 NMDTZLJMJZWHLS-LLVKDONJSA-N 247.342 2.550 30 40 BFEB C=C(C)CCc1ccc(C(=O)OCC)o1 43209559 QVASJMDKPPWMBE-UHFFFAOYSA-N 208.257 2.965 30 40 BFEB O=C(/C=C/c1ccccc1)[C@]12CCC[C@@H]1O2 100019813 NZXHLNNSFKUNFN-NYCDYWJRSA-N 214.264 2.590 30 40 BFEB C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(\C)CC[C@H]12 105223888 XQVSREKNQZKAKU-ZOAWPARFSA-N 248.322 2.522 30 40 BFEB biogenic,in-vitro C=CCCC(=O)c1ccc(C#N)c(F)c1 308796927 HXONZRRRURVMGU-UHFFFAOYSA-N 203.216 2.846 30 40 BFEB CCCCC[C@@H](O)C#C[C@H](O)CCCCC 2556441 GQHFRBUSENSDPM-ZIAGYGMSSA-N 226.360 2.872 30 40 BFEB Cc1csc(NC(=O)c2ccc(C#N)cc2)n1 3446285 VFMAQQHWRQPMPO-UHFFFAOYSA-N 243.291 2.576 30 40 BFEB O=C1C2=C(C(=O)c3ccccc31)[C@@H]1CC[C@H]2C1 6117072 IVURNAYIUXKZSY-DTORHVGOSA-N 224.259 2.792 30 40 BFEB CCOC(=O)/C(=C/c1cccc(C)c1)C(C)=O 1625093 ZUQVRBVENDAGKD-UKTHLTGXSA-N 232.279 2.531 30 40 BFEB C=CCN1C(=O)C[C@@H](C)[C@H](CCC(C)C)C1=O 2276028 VHTNCOZQUORTAI-NEPJUHHUSA-N 237.343 2.620 30 40 BFEB Cc1cc(C)n2nc(-c3ccccc3)c(C#N)c2n1 5793236 GGCOHGJDOGCAEB-UHFFFAOYSA-N 248.289 2.885 30 40 BFEB CCCCOC1=CC(=O)c2ccccc2C1=O 16639072 BATAHUJPPGPXIN-UHFFFAOYSA-N 230.263 2.766 30 40 BFEB O=C(/C=C\c1cccc(O)c1)c1ccccc1O 17328280 BLEVPIDFNNFTHJ-HJWRWDBZSA-N 240.258 2.994 30 40 BFEB in-vitro N#Cc1c(F)cccc1N1CCCSCC1 69530198 NVRSDUGLCQOCPU-UHFFFAOYSA-N 236.315 2.641 30 40 BFEB COc1ccc(C(=O)/C=C(/O)C(F)(F)F)cc1 100244382 DTYFIFDIWUMTGQ-UXBLZVDNSA-N 246.184 2.882 30 40 BFEB N#Cc1cc(C=O)cn1C1CCCCC1 225299078 BWUQJZYBKGPKFG-UHFFFAOYSA-N 202.257 2.677 30 40 BFEB CC(C)(C)NOC(=O)c1ccc(Cl)cc1 138451 HVYLOHJCQZKTQS-UHFFFAOYSA-N 227.691 2.800 30 40 BFEB Cc1cccc(N/N=C/c2ccccn2)c1 3909652 BKLTUXLLQPQOKY-XNTDXEJSSA-N 211.268 2.836 30 40 BFEB N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21 4348881 LTYOJFOTFBGRPP-SUCHYCSPSA-N 238.290 2.873 30 40 BFEB C[C@@H](C#N)Sc1nnc(-c2cccs2)o1 36712591 IRNURMZEXZCCKL-LURJTMIESA-N 237.309 2.802 30 40 BFEB C=CCN(CC=C)C(=O)/C=C/c1csc(C)n1 58291381 ZBBMFGMAIWEALE-VOTSOKGWSA-N 248.351 2.665 30 40 BFEB CCOC(=O)[C@H]1O[C@@]1(C)c1cccc(Cl)c1 85657676 YWRCSMUQTFFBJZ-PWSUYJOCSA-N 240.686 2.517 30 40 BFEB Cc1cc(/N=C\N(C)C)c2ccccc2n1 95626696 JSSMTNFNQJIGJE-ZROIWOOFSA-N 213.284 2.765 30 40 BFEB CC(C)[C@@H](O)C#Cc1ccc(F)c(Cl)c1 95632890 JXIKPOBHWBPUDW-LBPRGKRZSA-N 226.678 2.848 30 40 BFEB CC(C)(C)Oc1ccc(C#N)cc1C#N 238119724 ZZGBUVBSBRGIFA-UHFFFAOYSA-N 200.241 2.607 30 40 BFEB C=CCN(CC=C)/C(N)=N/c1ccc(Cl)cc1 5852287 OGDJWVPEMYSEAE-UHFFFAOYSA-N 249.745 2.960 30 40 BFEB Cc1csc(Sc2ncccc2C#N)n1 12534201 RAKSLYLCGYMZSV-UHFFFAOYSA-N 233.321 2.869 30 40 BFEB N#C[C@H](N)c1ccc(Cl)cc1Cl 20176970 YUHMUFYMXADDHU-QMMMGPOBSA-N 201.056 2.517 30 40 BFEB in-vitro C=CCNc1nnc(-c2cccc(OC)c2)s1 34925540 QXTUZCONFRAINY-UHFFFAOYSA-N 247.323 2.812 30 40 BFEB C[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc2ccccc2o1 41545460 PGOBRJSVWLNFAQ-KXUCPTDWSA-N 240.262 2.660 30 40 BFEB C[C@H](Nc1ncccc1C#N)c1cccc(O)c1 69657051 VCQWJQMYXNUXNL-JTQLQIEISA-N 239.278 2.832 30 40 BFEB COC(=O)[C@@]1(C)OC12CCC(C(C)C)CC2 85657848 JOGXHZCYHAPSCD-YXMLORGKSA-N 226.316 2.533 30 40 BFEB C=CCC[C@H](CC)N[C@H](C)[C@@H]1CCCO1 95420224 MTSQDODKZFGCOJ-AGIUHOORSA-N 211.349 2.888 30 40 BFEB CCC(=O)OCC#Cc1cccc(Cl)c1 95631783 SURAZBPQOJQYTH-UHFFFAOYSA-N 222.671 2.645 30 40 BFEB CN(C)c1ccc(C#CC2(O)CCCCC2)cc1 95632987 BFRUWZOOGWLAPT-UHFFFAOYSA-N 243.350 2.799 30 40 BFEB N#Cc1ccc(N2C[C@@H]3CCCC[C@H]3C2)nc1 98018821 PSBWQKHPIBQPFZ-STQMWFEESA-N 227.311 2.580 30 40 BFEB [O-][N+](=Cc1cccc(O)c1)c1ccccc1 104078421 JWXNHLANTZVNHY-UHFFFAOYSA-N 213.236 2.653 30 40 BFEB N#CC(C#N)/N=N\c1ccccc1Cl 104340574 ZRNJZQRMCMICTL-YPKPFQOOSA-N 204.620 2.839 30 40 BFEB Cc1ccc(-n2nc(C)cc2/N=C/N(C)C)cc1 12495925 YYPQHXONOCUADR-XNTDXEJSSA-N 242.326 2.711 30 40 BFEB CC/C=C(\C)C(=O)NCc1cccc(C#N)c1 47954607 UILUJTZDASJHRD-VZUCSPMQSA-N 228.295 2.531 30 40 BFEB N#Cc1ncc(Cl)cc1C(F)(F)F 85210381 LMNDQHSGIICWCP-UHFFFAOYSA-N 206.554 2.625 30 40 BFEB O=C(C#Cc1ccccc1)Cc1cccs1 390229116 CEVSFXZDXQOHAS-UHFFFAOYSA-N 226.300 2.911 30 40 BFEB O=[N+]([O-])c1cccc(/C=N/N2CCCCCC2)c1 1631171 ZFNRWEDVQYPVDY-SDNWHVSQSA-N 247.298 2.805 30 40 BFEB CCOC(=O)C(C#N)([C@@H]1C=CCC1)[C@@H]1C=CCC1 1726871 GHEBDCIPYWUVHU-CHWSQXEVSA-N 245.322 2.992 30 40 BFEB CC[C@H](C)N/C(C)=C1\C(=O)C[C@@H]2[C@H]1C2(C)C 3985057 BTZAUNXBRRRYSC-XFQCKVDXSA-N 221.344 2.894 30 40 BFEB biogenic Cc1cc(C)c(C#N)c(S[C@H](C)C#N)n1 5642799 ASJKLYDFAVYGOY-SECBINFHSA-N 217.297 2.574 30 40 BFEB Cc1cc(Cl)ccc1N1C[C@@H](C#N)CC1=O 11894267 UWVMVKQPOSZCGT-SECBINFHSA-N 234.686 2.525 30 40 BFEB Cc1ccccc1/C=N/c1ccccc1C(N)=O 18115347 LREKXPVIMOJRAM-LICLKQGHSA-N 238.290 2.845 30 40 BFEB C[C@@]1(c2ccccc2C(F)(F)F)CO1 55032409 YUSBYYGGAIUFJP-VIFPVBQESA-N 202.175 2.951 30 40 BFEB C=CCN(CC=C)Cc1nc2ccccc2n1C 71908281 DBLBEUBIZFBNPX-UHFFFAOYSA-N 241.338 2.747 30 40 BFEB N#Cc1cnccc1SC(F)(F)F 91252742 KIWFBSMOOASFRY-UHFFFAOYSA-N 204.176 2.565 30 40 BFEB Cc1cc(Cl)ccc1C#CCN(C)C 95633430 RUWNRURHCZKUDP-UHFFFAOYSA-N 207.704 2.562 30 40 BFEB C=CC[C@@H](C)[C@@H](C)Nc1cnn(C)c1C 95991774 OXWNHTNHUVBLJB-NXEZZACHSA-N 207.321 2.741 30 40 BFEB CC(C)[C@@H](O)CCN[C@H](C)c1cccc(C#N)c1 97034576 NHVZRNFEWNZTGH-DOMZBBRYSA-N 246.354 2.616 30 40 BFEB C=CCn1c(C)nc(-c2ccccc2)c1N 100761215 KTQNSTGEXZOVSG-UHFFFAOYSA-N 213.284 2.627 30 40 BFEB N#CCNC(=O)C1CCC(c2ccccc2)CC1 104162591 DMGBLBJDFICGIF-UHFFFAOYSA-N 242.322 2.600 30 40 BFEB COc1ccc(OC)c(C#C[Si](C)(C)C)c1 195887927 CKTZFUKDXSAUFS-UHFFFAOYSA-N 234.371 2.933 30 40 BFEB C=CC[C@H](O)/C=C/c1ccccc1[N+](=O)[O-] 199532124 VNIDULDASAJSNG-FBOQAHMBSA-N 219.240 2.545 30 40 BFEB Cc1cc(C#N)c(C)n1-c1cccc([N+](=O)[O-])c1 223712014 ZGLWGELWJKTYOV-UHFFFAOYSA-N 241.250 2.874 30 40 BFEB CC(C)c1ccc(C(=O)/C=C/C(=O)O)cc1 153577 RVKCMDZQHQJWAK-BQYQJAHWSA-N 218.252 2.634 30 40 BFEB in-vitro N#Cc1cc(-c2cccc(Cl)c2)no1 508270 OTIJEOFCTQTADR-UHFFFAOYSA-N 204.616 2.867 30 40 BFEB N#CCCCSc1nc2ccccc2[nH]1 12657019 GWTWSWJJSNIMEI-UHFFFAOYSA-N 217.297 2.959 30 40 BFEB N#CCNCc1ccc(-c2ccc(F)cc2)o1 22076499 ODZFANUAQDPYKA-UHFFFAOYSA-N 230.242 2.699 30 40 BFEB C=C(Cl)CSc1nnc(C)c(C)c1C#N 97080567 UPIFJLHAFFMLCA-UHFFFAOYSA-N 239.731 2.810 30 40 BFEB CN(C)c1ccc2c(c1)/C(=N\O)c1ccccc1-2 102815355 ZLZAYJVZMQRCQQ-NXVVXOECSA-N 238.290 2.960 30 40 BFEB COc1ccc(N/C=C2/CCCC2=O)c(OC)c1 109619934 RUSGZEBGBROMBO-KTKRTIGZSA-N 247.294 2.753 30 40 BFEB CCCc1ccc2c(c1)[C@H](CC#N)C(=O)N2C 218779306 XKQLVMWLKWOAPD-NSHDSACASA-N 228.295 2.613 30 40 BFEB C#Cc1ccc(F)c(OC(F)(F)F)c1F 1504206441 DAIZTTAVVQJUQC-UHFFFAOYSA-N 222.112 2.845 30 40 BFEB CC(=O)C(=C/C=C/c1ccccc1)C(C)=O 222473 MNVJZMVQXQFONB-RMKNXTFCSA-N 214.264 2.804 30 40 BFEB biogenic C=CCCC(=O)Nc1ccc(NC(C)=O)cc1 2190716 OJAVCAAQBBWPGH-UHFFFAOYSA-N 232.283 2.550 30 40 BFEB C=CCN1C(=O)C[C@H](C)[C@H](CCC(C)C)C1=O 2276027 VHTNCOZQUORTAI-RYUDHWBXSA-N 237.343 2.620 30 40 BFEB COc1cccc(C(=O)c2ccccc2C#N)c1 2574651 QOYOOSYWDUDBLL-UHFFFAOYSA-N 237.258 2.798 30 40 BFEB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)CC#N 3846265 KCZNYQIXVJEFPW-SDDRHHMPSA-N 223.316 2.904 30 40 BFEB C[N+](C)=C1C=CC(=C2C=CSC=C2)C=C1 5389801 VBJLIVPZZJVLHV-UHFFFAOYSA-N 216.329 2.896 30 40 BFEB Cc1ccc(CN(C)c2ncccc2C#N)cc1 15168513 FANXFHJUNVTHHH-UHFFFAOYSA-N 237.306 2.898 30 40 BFEB N#Cc1ccc2c(c1)OC(F)(F)C(F)(F)O2 16159106 QPYMMYGNDXPHIU-UHFFFAOYSA-N 233.120 2.515 30 40 BFEB CSC(=N/N=C(\C)c1ccccn1)SC 17125190 STAVLCXMWKVFNZ-XYOKQWHBSA-N 239.369 2.888 30 40 BFEB C[C@]1(Cc2ccccc2)CCC[C@@H](C=O)C1=O 31938440 FBALOPTZGWJSJE-DZGCQCFKSA-N 230.307 2.804 30 40 BFEB C[C@@H](N)c1nc(-c2ccc(C#N)cc2)cs1 41059189 VFIFVTFLNDXWMW-MRVPVSSYSA-N 229.308 2.701 30 40 BFEB in-vitro N#Cc1cn(C(=O)c2ccco2)c2ccccc12 49827936 QQZPHCIFNHLLPN-UHFFFAOYSA-N 236.230 2.794 30 40 BFEB CCNc1sc2c(c1C#N)CCCC2 59224458 LETQNPVBDXFAIJ-UHFFFAOYSA-N 206.314 2.930 30 40 BFEB C=CCNC(=O)N1C[C@@H](C)Cc2ccccc21 78550620 WRBDZWRDNJEOKS-NSHDSACASA-N 230.311 2.581 30 40 BFEB O/N=C(\c1ccccc1)[C@@H]1C2C[C@@H]3C1[C@@H]3C2 100950824 GPCIBKLTPNYOQB-UMDOEMQYSA-N 213.280 2.767 30 40 BFEB O/N=C(\c1ccccc1)[C@H]1C2C[C@H]3C1[C@@H]3C2 100950831 GPCIBKLTPNYOQB-NSFUYMRXSA-N 213.280 2.767 30 40 BFEB N#Cc1cncc(Oc2cccc(C=O)c2)c1 685937778 QSMCDJLDDOEVPD-UHFFFAOYSA-N 224.219 2.558 30 40 BFEB O=C1c2ccccc2C[C@]12O[C@H]2c1ccccc1 159882 BPRSFVHQRNUUPG-HOTGVXAUSA-N 236.270 2.936 30 40 BFEB CC(C)(C)OC(=O)[C@@H]1O[C@@]1(C)c1ccccc1 1708635 CTGZYSALYIKEQC-FZMZJTMJSA-N 234.295 2.642 30 40 BFEB CC1(C)CC(=O)C2=C(C1)O[C@@]1(O)CCC[C@@H]2C1 4267343 TYKCPDBFHSJHCV-OTYXRUKQSA-N 236.311 2.539 30 40 BFEB N#Cc1ccc(NC(=O)CCc2ccco2)cc1 20252388 HYASXCHTUDIYSE-UHFFFAOYSA-N 240.262 2.723 30 40 BFEB C=CCNC(=O)Nc1cc(Cl)ccc1F 43528313 DHKLMFZJBJSSRX-UHFFFAOYSA-N 228.654 2.787 30 40 BFEB CC(C)(C)C/C(O)=N/S(=O)(=O)CC(C)(C)C 79037019 QENQDKHTDSYHMI-UHFFFAOYSA-N 249.376 2.755 30 40 BFEB FC(F)(F)[C@@H](OC[C@H]1CO1)c1ccccc1 95095891 QJSCXIANKHKEAD-ZJUUUORDSA-N 232.201 2.705 30 40 BFEB CC1(C)C[C@@]2(CCCN(CCC#N)C2)CCO1 1764283 KHWAEWQNTJDFAN-CQSZACIVSA-N 236.359 2.571 30 40 BFEB biogenic CN(N=O)C1=CC(=O)[C@]2(C)CC[C@H]1C2(C)C 4266998 XIXAPCKYCBFXNO-PELKAZGASA-N 222.288 2.509 30 40 BFEB Cc1ccc(C#C[C@@](C)(O)C(C)(C)C)cn1 13144566 CJVPITOXSQRPMF-CQSZACIVSA-N 217.312 2.539 30 40 BFEB N#Cc1cccc(/C=C/C(=O)c2cccnc2)c1 14175738 DOOJXZLJHRLQCA-VOTSOKGWSA-N 234.258 2.849 30 40 BFEB CC/C=C(/C)[C@](C#N)(CC)C(=O)OCC 16925378 WGRSGSSXYRCXSF-VPUINMBXSA-N 209.289 2.826 30 40 BFEB C[C@H](NC(=O)C1(C#N)CCCC1)c1ccco1 25261120 PFHYAYXIKQITLP-JTQLQIEISA-N 232.283 2.541 30 40 BFEB C=CCn1c(SC(C)C)nnc1C1CC1 40456952 OHXKWKPZWFFRHZ-UHFFFAOYSA-N 223.345 2.842 30 40 BFEB Cc1ncccc1NC(=O)C1(C#N)CCCCC1 91497147 MIYHVWITWMDEOQ-UHFFFAOYSA-N 243.310 2.803 30 40 BFEB CC(C)(O)CSc1ccc(C#N)cc1F 98013326 AZGSBDUZUURNJC-UHFFFAOYSA-N 225.288 2.560 30 40 BFEB N#Cc1ccc(NCc2ccccc2Cl)nn1 259586315 BYCRLYXQAFEMLK-UHFFFAOYSA-N 244.685 2.614 30 40 BFEB C=C(C)CNC(=S)N1[C@@H](C)CCC[C@H]1C 16608850 YWSAZLGRVPIBES-PHIMTYICSA-N 226.389 2.700 30 40 BFEB N#Cc1ccc(/C=N\N2CCCCCC2)cc1 31659200 KGCFDNUCBDFXLQ-VBKFSLOCSA-N 227.311 2.768 30 40 BFEB COC(=O)c1cc(Cl)c(C#N)c(Cl)c1 45919861 SJDGKDIRXLWIPJ-UHFFFAOYSA-N 230.050 2.652 30 40 BFEB C=C(C)COC(=O)c1cncn1-c1ccccc1 95948511 CZTCGAJCYUMYPU-UHFFFAOYSA-N 242.278 2.605 30 40 BFEB Oc1ccccc1/N=C\c1ccc2c(c1)OCO2 100521863 BQRPHDGQSWTHRV-NVNXTCNLSA-N 241.246 2.872 30 40 BFEB COc1ccc2occ(/C(C)=N\O)c2c1 103614347 YHUTZWHJMQMKMB-GHXNOFRVSA-N 205.213 2.640 30 40 BFEB N#CCCOCC#CC[C@@H]1C[C@H]2C=C[C@H]1C2 230305725 OSKLPQFHBLIPHR-MCIONIFRSA-N 215.296 2.522 30 40 BFEB C=CCN1C(=C)C2(CCCCC2)OC1=O 51929 WTFPNSBBLVBDIY-UHFFFAOYSA-N 207.273 2.841 30 40 BFEB C=CCSc1ccsc1C(=O)O 2569453 GJGJMWCIHKMMMG-UHFFFAOYSA-N 200.284 2.724 30 40 BFEB CC(C)(O)CCCC1=CCC[C@@H](C=O)C1 5356097 OLXLPKQCGWYRFQ-GFCCVEGCSA-N 210.317 2.853 30 40 BFEB CC(=O)/C=C\c1cn(C(C)=O)c2ccccc12 5382955 BVTIGHQAQCJFGF-FPLPWBNLSA-N 227.263 2.904 30 40 BFEB biogenic N#C/C(=N/Nc1ccccc1)C(=O)c1ccccc1 12375855 BSUQPKCNPVQHEV-JXAWBTAJSA-N 249.273 2.861 30 40 BFEB N#Cc1cc2ncn(-c3ccccc3)c2cc1C#N 12377159 SJWGYPCMOZZLEL-UHFFFAOYSA-N 244.257 2.769 30 40 BFEB Cc1nc(N2CCCCCC2)ccc1/C=N/O 72224561 FKGMZRBCXDQGIY-GXDHUFHOSA-N 233.315 2.579 30 40 BFEB CC1(C)C[C@H]2C(=O)CC[C@@H]3O[C@@]3(C)CC[C@@H]21 100780996 UETZJEZFLKASPR-IHOMSZDFSA-N 222.328 2.949 30 40 BFEB endogenous,in-man CC(C)(C)NC(=S)Nc1ccc(CC#N)cc1 225274529 FJQMJLZPRJWKDH-UHFFFAOYSA-N 247.367 2.838 30 40 BFEB CCCCNC(=O)Nc1sccc1C#N 2616958 LOCLEHIQDIWMHD-UHFFFAOYSA-N 223.301 2.541 30 40 BFEB Cc1ccccc1CNc1ncccc1C#N 12902683 WTJIUKXPPCTRFU-UHFFFAOYSA-N 223.279 2.874 30 40 BFEB N/C(=N/O)c1cccc(Oc2ccccc2)c1 36893255 RKBWADNKPGUSSV-UHFFFAOYSA-N 228.251 2.573 30 40 BFEB in-vitro O/N=C1/[C@H]2CC[C@H](C2)[C@H]1Nc1ccccc1F 100964883 HNZBAOWVOAPRDX-LHHMSCMUSA-N 234.274 2.866 30 40 BFEB C/N=C1/c2ccccc2[C@]2(c3ccccc3)[C@@H]1N2C 104099865 QEXUUISPQMKPAE-WKUYXVNXSA-N 248.329 2.677 30 40 BFEB N#C[C@H](C(=O)Cc1cccs1)c1ccccn1 12541272 GODAQPDWCFIAHJ-NSHDSACASA-N 242.303 2.562 30 40 BFEB C[C@H]1C[C@@H](C)Cc2c1sc(N)c2C#N 32231833 PXDPPMHKUSRDCG-RQJHMYQMSA-N 206.314 2.888 30 40 BFEB C=CCN(CC=C)c1ccc(N)cc1C 66341713 VRBVJPXVMZMHLQ-UHFFFAOYSA-N 202.301 2.756 30 40 BFEB N#Cc1ccc(SCc2ccno2)c(F)c1 76040724 BKMKAZANLFRGIF-UHFFFAOYSA-N 234.255 2.978 30 40 BFEB CN(C)/C=C1/C[C@H](C(C)(C)C)CCC1=O 82545871 SNXYQXLWVGTVPA-DWOQACPDSA-N 209.333 2.847 30 40 BFEB CC[C@@](C)(O)C#Cc1cccc(Cl)c1 95631769 LDIIZMCRVYPGCK-GFCCVEGCSA-N 208.688 2.853 30 40 BFEB C#Cc1cccc(OCc2cccnc2)c1 228978705 OEHSQYVAFMTJRM-UHFFFAOYSA-N 209.248 2.642 30 40 BFEB CC(C)(C)OC(=O)N=Cc1ccc(C#N)cc1 256090766 RALNCPSAHALXIV-UHFFFAOYSA-N 230.267 2.912 30 40 BFEB C[C@H]1Cc2c(Br)cccc2/C1=N/O 1775955717 BOJPQWPVJLRDSH-RJQXTMFTSA-N 240.100 2.820 30 40 BFEB C=CC#CC(C)(C)c1ccc(O)c(OC)c1 2132972 NRNONKAIYSOBQY-UHFFFAOYSA-N 216.280 2.868 30 40 BFEB biogenic CC1=NN(CCC#N)[C@H](c2ccccc2)C1 4125489 NMCVESWSJWYLMI-ZDUSSCGKSA-N 213.284 2.723 30 40 BFEB CN(C)/C=C/C(=O)C12CC3CC(CC(C3)C1)C2 4395008 OHTCJRWKOLBHGG-ONEGZZNKSA-N 233.355 2.847 30 40 BFEB O=C1[C@H](c2ccccc2Cl)[C@@H]2CC=C[C@@H]2N1O 4962585 BVCMTZOEWVSYCE-ADEWGFFLSA-N 249.697 2.600 30 40 BFEB C=C1C[C@]2(CCCc3ccccc32)OC1=O 5157445 ISIQOXGBFBNCCJ-AWEZNQCLSA-N 214.264 2.721 30 40 BFEB CN(/N=C/c1cccc(O)c1O)c1ccccc1 7351151 QHGFGBRPGXMSJA-XNTDXEJSSA-N 242.278 2.568 30 40 BFEB O=C1CCC/C(=N/Nc2ccc([N+](=O)[O-])cc2)C1 16921663 KEDYRZLMUGGAQM-UVTDQMKNSA-N 247.254 2.506 30 40 BFEB C#Cc1ccc(C#Cc2ccc(N)cc2)cc1 82049664 POAQSSUQAZUOTG-UHFFFAOYSA-N 217.271 2.650 30 40 BFEB N#Cc1ccc(C2CCCC2)nc1S 82671001 IHIUZDZKAVKATL-UHFFFAOYSA-N 204.298 2.900 30 40 BFEB CC(C)N(C(C)C)[C@@H]1/C(=N\O)[C@H]2CC[C@@H]1C2 100965948 MRFLHLYWXUCRMH-IMQZKJBWSA-N 224.348 2.734 30 40 BFEB COc1cc2c(cc1OC)/C(=N/O)CCCC2 103057450 IEMVMJLWBFBJAS-SDNWHVSQSA-N 235.283 2.609 30 40 BFEB COCCS[C@@H](C)c1cccc(C#N)c1 189852974 LTOQXAWOKLWRQT-JTQLQIEISA-N 221.325 2.999 30 40 BFEB CCOC(=O)C(Cl)=NNc1ccc(C)cc1 252585498 IZJHYJDZIJLTOD-UHFFFAOYSA-N 240.690 2.522 30 40 BFEB N#CCc1ccc2ccccc2c1[N+](=O)[O-] 1398009 LDLAUIORAXTLOB-UHFFFAOYSA-N 212.208 2.814 30 40 BFEB CCC[C@@H](C#N)OC(=O)c1ccccc1 1683102 KLBPTYDKNMTJIP-NSHDSACASA-N 203.241 2.536 30 40 BFEB C/C(=N\O)c1cccc(Br)c1 15919719 TUEQLTCSWQPJIV-UXBLZVDNSA-N 214.062 2.647 30 40 BFEB CCN(CCC#N)C(=O)Nc1ccc(F)cc1 42247382 FRYCGQNKQGXAGO-UHFFFAOYSA-N 235.262 2.593 30 40 BFEB CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@]1(C)CO1 42331935 DZFWGPZAYORATG-MFKMUULPSA-N 241.331 2.565 30 40 BFEB Oc1ccccc1/C=N/C[C@@H](O)c1ccccc1 100007815 ZBCOAVKWIKRCFX-VGVSSDJJSA-N 241.290 2.545 30 40 BFEB Clc1ccc(B2Oc3ccccc3O2)cc1 195785587 RDHAMZDLIGWSKH-UHFFFAOYSA-N 230.459 2.507 30 40 BFEB C=C1C[C@@H]2CC[C@H](C1)N2c1ccnc(SC)n1 1889070534 IBDWYXAGNRCCFU-PHIMTYICSA-N 247.367 2.886 30 40 BFEB CC(=O)/C=C(\C)NC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 4027664 WLUZYKNLIBMHCU-GCTWYKEXSA-N 249.354 2.834 30 40 BFEB biogenic Cc1cc(C)c(/C=N/n2cn[nH]c2=S)c(C)c1 7012980 GVVLOPULPPWVJU-MKMNVTDBSA-N 246.339 2.748 30 40 BFEB COc1ccc([C@@H](C#N)C(C)=O)c(Cl)c1 12359138 PBMDCUAGVOXBMF-JTQLQIEISA-N 223.659 2.545 30 40 BFEB in-vitro N#Cc1cc2cc(Cl)cnc2nc1Cl 71289251 XYYJEGZQLWIEDC-UHFFFAOYSA-N 224.050 2.808 30 40 BFEB N#CC1(COc2ccccc2F)CCC1 85390357 IPLLCEBIMUBXRZ-UHFFFAOYSA-N 205.232 2.898 30 40 BFEB CC/C=C(\C)C(=O)Nc1cc(C#N)ccc1O 585139620 UPSLWFQMOVYFBP-RUDMXATFSA-N 230.267 2.559 30 40 BFEB Cc1ccccc1-n1cnnc1SCCC#N 9339011 AJXKIWWZLOPGDQ-UHFFFAOYSA-N 244.323 2.582 30 40 BFEB C=CCNc1ccc(Br)cc1N 52923492 LHSMLHRISPFENV-UHFFFAOYSA-N 227.105 2.629 30 40 BFEB C=CCNC(=O)N[C@@H]1CCC[C@H](SCC)C1 84811933 DRRBRSPMHLEPOR-MNOVXSKESA-N 242.388 2.536 30 40 BFEB C=CC[C@@H]1C(=O)CCc2ccc(OC)cc21 90528768 ALHTVPCDRIWPFX-LBPRGKRZSA-N 216.280 2.870 30 40 BFEB FC(F)(F)C1(C(F)(F)F)OCC1(F)F 95671287 ZQMTXLOGCHHZKD-UHFFFAOYSA-N 230.054 2.515 30 40 BFEB C=CCOC(=O)[C@H](O)[C@H](CC)CCCCC 1687137 NVXIZKYCSXQIKE-VXGBXAGGSA-N 228.332 2.683 30 40 BFEB CN(C)c1ccc([N+](=O)[O-])c(N=[N+]=[N-])c1 15218674 JDSNBVDUHPWKNA-UHFFFAOYSA-N 207.193 2.603 30 40 BFEB N#CCc1ccc(OCc2ccccc2N)cc1 19399751 KMSJZURABXHAFH-UHFFFAOYSA-N 238.290 2.914 30 40 BFEB in-vitro CN(C(=O)C1(C#N)CCCC1)C1CCCCC1 44290638 VKURWOHQONCSPR-UHFFFAOYSA-N 234.343 2.861 30 40 BFEB N#Cc1cnc(NCC(F)(F)F)c(Cl)c1 599026819 GWDOQNJDVHLDGO-UHFFFAOYSA-N 235.596 2.581 30 40 BFEB CCCCCCCC(=O)N1C[C@H](C)O[C@H](C)C1 1732499 UVNNODIUZNRTHY-BETUJISGSA-N 241.375 2.983 30 40 BFEB FC(F)(F)Oc1ccc(/N=C2\CCCN2)cc1 2638056 SIGPALVZVKZPSC-UHFFFAOYSA-N 244.216 2.999 30 40 BFEB C(=N/N=C1/CCCCCN1)\c1cccs1 2684559 YPIXCQRFSCOSBJ-UKTHLTGXSA-N 221.329 2.644 30 40 BFEB Cn1c(CN2CCCC2)c(C#N)c2ccccc21 4907161 LHQRSHHENHJUIL-UHFFFAOYSA-N 239.322 2.646 30 40 BFEB C=C(C)CNC(=S)Nc1ccccc1F 6262239 VHDYRKUYHLXXEK-UHFFFAOYSA-N 224.304 2.688 30 40 BFEB C=CCSc1nnc(-c2ccoc2C)n1C 12886893 DFRLHWIEOFALCG-UHFFFAOYSA-N 235.312 2.662 30 40 BFEB COc1ccccc1CN/N=C(\C)c1ccco1 20762653 SHTBCVUWZIRRJK-LFIBNONCSA-N 244.294 2.802 30 40 BFEB N#Cc1cccc2c(Cl)nc(Cl)nc12 32915168 LUCPYAXUBBOULM-UHFFFAOYSA-N 224.050 2.808 30 40 BFEB COc1ccc(C2(C#N)CCC2)cc1OC 34940480 CNIUDDCUDAJTLE-UHFFFAOYSA-N 217.268 2.649 30 40 BFEB CCc1ccc(C(=O)Nc2cccc(C#N)c2)o1 36397498 STOMTMGSJICVTA-UHFFFAOYSA-N 240.262 2.966 30 40 BFEB O/N=C/c1ccc(N2CCCCC2)s1 57324146 PMPHQMDSXHXRNW-DHZHZOJOSA-N 210.302 2.547 30 40 BFEB Cc1cc(N(C)c2ccccc2)ncc1/C=N/O 72223331 JEOHIPFDDSZYEJ-MHWRWJLKSA-N 241.294 2.966 30 40 BFEB Cc1cnc([C@@H](C)NCCCCC#N)s1 97371376 ZQEQFGNJYPFSSO-SNVBAGLBSA-N 223.345 2.796 30 40 BFEB CCCCCCCC[C@H]1C[C@H]1C(=O)NO 98007384 WRPQMDNDRIIPNA-WDEREUQCSA-N 213.321 2.879 30 40 BFEB N#Cc1cccc2c1OC(F)(F)C(F)(F)O2 98210906 VCINTZZVZJZSJY-UHFFFAOYSA-N 233.120 2.515 30 40 BFEB Cc1cc(NC(=O)O/N=C(\Cl)C(C)C)no1 100228740 IQUBDUWUOYZXCU-JYRVWZFOSA-N 245.666 2.740 30 40 BFEB CCCCCn1nc(C(C)C)c(C#N)c1N 225835818 BZHRVZTVMNWXQO-UHFFFAOYSA-N 220.320 2.651 30 40 BFEB Cc1ccc(/C=N/c2cc(C)on2)c(O)c1 296224 RJMNIPYDHNRBIH-NTUHNPAUSA-N 216.240 2.748 30 40 BFEB C=CCN(CC=C)c1ccc(C(=O)O)cc1 1723138 LFOSPEFIHLUGKL-UHFFFAOYSA-N 217.268 2.563 30 40 BFEB N#CCSc1nnc(Nc2ccccc2)s1 3370619 PVGHEECJOMJUDZ-UHFFFAOYSA-N 248.336 2.897 30 40 BFEB COc1ccc(C#CC(=O)c2ccccc2)cc1 5513520 TYEOTDIJUTZNMM-UHFFFAOYSA-N 236.270 2.930 30 40 BFEB CCC[C@H](C)C(=O)Nc1cccc(C#N)c1 12820640 PNAOAPKLODCTNC-JTQLQIEISA-N 216.284 2.933 30 40 BFEB O=C(NCC#Cc1ccccc1)[C@@H]1CC=CCC1 12854971 RZHKIYLLVAKBFA-OAHLLOKOSA-N 239.318 2.511 30 40 BFEB C=CCSc1nc(-c2cccs2)n[nH]1 16941278 RPRQETFEPUYFMP-UHFFFAOYSA-N 223.326 2.811 30 40 BFEB N#Cc1ccc(CNC2CCCC2)cc1 19883488 YGOBJQBRAFXJMB-UHFFFAOYSA-N 200.285 2.590 30 40 BFEB N#Cc1c(Br)cnc2ccccc12 49581993 KPIBKSRNPFDUOD-UHFFFAOYSA-N 233.068 2.869 30 40 BFEB CN(CCC#N)c1ccc(Br)cc1 49829489 UHOIYQJNFACEIA-UHFFFAOYSA-N 239.116 2.799 30 40 BFEB CCNc1c(C#N)cnc2c(F)ccc(F)c12 50842465 OCJXLXAPSCIHOL-UHFFFAOYSA-N 233.221 2.816 30 40 BFEB CN(CC#N)CCc1cccc2ccccc12 71185173 KAGCEUXFOSXINT-UHFFFAOYSA-N 224.307 2.838 30 40 BFEB Cc1ccc(C[C@@H](C#N)Sc2ncc[nH]2)cc1 78989965 JABABRAGUOGHPX-LBPRGKRZSA-N 243.335 2.945 30 40 BFEB CCN(CC)CC#Cc1cc(F)cc(F)c1 95631907 BZPOPXXEUSJBDN-UHFFFAOYSA-N 223.266 2.658 30 40 BFEB Cc1cc(C#C[C@H](O)C(C)C)ccc1F 95632377 IMRZUYODNLLPLM-ZDUSSCGKSA-N 206.260 2.503 30 40 BFEB N#C[C@@H]1CCC[C@@H]1NCc1ccc(Cl)nc1 216714492 KWQZBPXEJYTMPW-QWRGUYRKSA-N 235.718 2.517 30 40 BFEB in-vitro FC(F)Oc1ccccc1/N=C1\CCCN1 2638210 YWOWZZAYOBPZSZ-UHFFFAOYSA-N 226.226 2.701 30 40 BFEB COc1ccc(/C=N/O)cc1C(C)(C)C 6761891 KZEOVPQEFMZDDN-MDWZMJQESA-N 207.273 2.801 30 40 BFEB C[C@H](NCC#CC(C)(C)C)[C@H](O)c1ccccc1 20654017 QHNZUAXYUSAKJQ-ZFWWWQNUSA-N 245.366 2.748 30 40 BFEB N#Cc1c(Cl)cc(Cl)nc1Cl 33506548 GCNVFPGCHKJKJK-UHFFFAOYSA-N 207.447 2.913 30 40 BFEB in-vitro Cc1ccc(C#N)c(N[C@@H](C)c2ccncc2)n1 43395463 UCQJTZABCDTSPG-NSHDSACASA-N 238.294 2.830 30 40 BFEB O=C[C@H]1C[C@@H]1c1ccc(Br)cc1 71621228 NLMMXUBXFPXMCD-PSASIEDQSA-N 225.085 2.752 30 40 BFEB COC(=O)[C@]1(C)O[C@@]1(C)c1cccc(Cl)c1 85657706 JDGYUFHKSLPQQX-RYUDHWBXSA-N 240.686 2.517 30 40 BFEB N#Cc1cnn(C[C@H]2C[C@@H]2c2ccccc2)c1 95093964 BVSIYCHIUJLXPR-ZIAGYGMSSA-N 223.279 2.558 30 40 BFEB CCCCCn1c(C#N)cc(N)c1Cl 225889968 HQEYYRYQHATECB-UHFFFAOYSA-N 211.696 2.786 30 40 BFEB Cc1cccc(/N=C2\NCCCS2)c1 97566 SPFMREZOPJBBQA-UHFFFAOYSA-N 206.314 2.709 30 40 BFEB CC(=O)CSc1nc2ccccc2cc1C#N 1331080 DKSJTZHTVDNHLK-UHFFFAOYSA-N 242.303 2.788 30 40 BFEB CCN(CC)/C(=N/Nc1cccc(C)c1)C(C)=O 4187055 JCUHRGQFOUQIJE-JQIJEIRASA-N 247.342 2.651 30 40 BFEB O/N=C1C(=C\c2ccccc2)\N2CCC\1CC2 8556948 HRIJKLAHYFFWJZ-UWBCJZLBSA-N 228.295 2.583 30 40 BFEB CN(C)[C@@H](C#N)c1ccc(C(F)(F)F)cc1 28580811 DDYIDLZSENGRIG-JTQLQIEISA-N 228.217 2.832 30 40 BFEB CC(C)[C@@](C)(O)CNc1cccc(F)c1C#N 71902764 WJMNLNKVBNAQOV-ZDUSSCGKSA-N 236.290 2.516 30 40 BFEB N#C[C@H]1CCC[C@@H]1NCC1(C2CC2)CCC1 95462859 VVRJSYSEOLGPFP-YPMHNXCESA-N 218.344 2.849 30 40 BFEB CCc1ccccc1C#C[C@H](O)C(C)C 95632147 MSFUUHWHCIAZLA-AWEZNQCLSA-N 202.297 2.617 30 40 BFEB C=C(C)C1(O)[C@@H]2CC[C@@H]1c1ccccc12 101037478 LXEQMQYXEKHOJG-CHWSQXEVSA-N 200.281 2.968 30 40 BFEB O=C1CCC/C1=C/Nc1ccc([N+](=O)[O-])cc1 101515910 MMBGXJRDDJXSSI-HJWRWDBZSA-N 232.239 2.644 30 40 BFEB C/C(=C\C(=O)c1ccccc1)OB(F)F 195777683 RZCCAZYNYSFELP-BQYQJAHWSA-N 209.988 2.714 30 40 BFEB CC(C)Cc1c(N)cc(C#N)n1CC(C)C 225852128 OCGWUDNVUGWMOX-UHFFFAOYSA-N 219.332 2.796 30 40 BFEB CC1(C)OB(C2CC(F)C2)OC1(C)C 953062799 OCYZHHMQRTVQHZ-UHFFFAOYSA-N 200.062 2.581 30 40 BFEB N#Cc1ccc(/C=N/N2CCCCCC2)cc1 1730477 KGCFDNUCBDFXLQ-FOWTUZBSSA-N 227.311 2.768 30 40 BFEB C[C@@H](C1CC1)N(CCC#N)C(=O)C1CCCC1 69520419 AVLIEFOCVCBBQF-NSHDSACASA-N 234.343 2.717 30 40 BFEB O=[N+]([O-])c1cccc(/C=[N+](\[O-])c2ccccc2)c1 72233912 MVRJCWHZAFUMPZ-UVTDQMKNSA-N 242.234 2.856 30 40 BFEB Cc1ccc2oc(N(C)[C@@H](C)CC#N)nc2c1 76093023 DEMKGORDMDXYGW-JTQLQIEISA-N 229.283 2.875 30 40 BFEB C=CCN(CC=C)C(=O)[C@H]1C[C@@H]2CC[C@@H]1C2 100987516 VQPSPKAMDKSVDU-UPJWGTAASA-N 219.328 2.623 30 40 BFEB Cc1nc2ccccc2n1-c1cccnc1C#N 132113974 WXGJCNVYIWXTPQ-UHFFFAOYSA-N 234.262 2.601 30 40 BFEB Cc1cc(Cl)ccc1NC(=O)C1(C#N)CC1 156835382 WQJNCGASDODDTM-UHFFFAOYSA-N 234.686 2.891 30 40 BFEB CC(C)Cn1c(C#N)cc(N)c1N1CCCCC1 225865126 WEOSAXPFLNGLED-UHFFFAOYSA-N 246.358 2.588 30 40 BFEB C=C1N(Nc2ccccc2)C(=O)OC1(C)C 1426343 WKYCHULMSWSTFE-UHFFFAOYSA-N 218.256 2.758 30 40 BFEB N#CCCn1cc(/C=C/C(=O)O)c2ccccc21 3394177 UJSPGFDSPNNZFP-VOTSOKGWSA-N 240.262 2.653 30 40 BFEB N#Cc1cc([N+](=O)[O-])ccc1Nc1cccnc1 8702991 VJRKGTSQTQDPQA-UHFFFAOYSA-N 240.222 2.605 30 40 BFEB N#Cc1cccc(NC(=O)NC2CCCC2)c1 43330047 FNUPMDBKHRPMID-UHFFFAOYSA-N 229.283 2.622 30 40 BFEB CCC(=O)N1c2ccccc2[C@H](C=O)C[C@H]1C 217549977 ZZGHAKREAKNEIN-MNOVXSKESA-N 231.295 2.504 30 40 BFEB C[C@@H](C#N)Sc1nc(-c2ccccc2F)n[nH]1 5677548 QIBDWGGTUFETIY-ZETCQYMHSA-N 248.286 2.615 30 40 BFEB Cc1ccnc(NC(=O)c2cccc(C#N)c2)c1 12545531 OAZMMXBHTCIOOT-UHFFFAOYSA-N 237.262 2.514 30 40 BFEB C(#Cc1cccs1)CO[C@@H]1CCCCO1 34521198 OIJCFMHSGWYGON-GFCCVEGCSA-N 222.309 2.643 30 40 BFEB CCCc1nnc(NCc2cccc(C#N)c2)o1 95990043 UTZCHQGZARRAEI-UHFFFAOYSA-N 242.282 2.506 30 40 BFEB C=CCC(CC=C)(C(N)=O)c1ccc(OC)cc1 1697987 KYFLHCWBEKQPOV-UHFFFAOYSA-N 245.322 2.571 30 40 BFEB O/N=C1\Cc2ccccc2[C@@H]1N1CCCCC1 5776318 JMUXAWIENGARML-MRPLLJTBSA-N 230.311 2.600 30 40 BFEB CC(C)(C)OC(=O)N1C[C@@H]2O[C@@H]2c2ccccc21 34458598 PPKCCKKBUDKBFQ-NWDGAFQWSA-N 247.294 2.882 30 40 BFEB CC[C@](C)(C#N)NC(=O)c1ccc2c(c1)CCC2 40357877 IIRIYJHFDVRMPW-OAHLLOKOSA-N 242.322 2.597 30 40 BFEB CN(CCC#N)c1cccc(Br)c1 49829492 IESPWTJGLMYQPX-UHFFFAOYSA-N 239.116 2.799 30 40 BFEB C[C@H](CCc1ccco1)Nc1ccc(C#N)cn1 49957093 NSOKDTLMPFWDRD-LLVKDONJSA-N 241.294 2.979 30 40 BFEB C=CCCCn1cc(NC(=O)C(C)(C)C)cn1 96435617 FFEVHQWBGBEYOQ-UHFFFAOYSA-N 235.331 2.834 30 40 BFEB C=CCc1ccccc1CCC(=O)OC 256405271 UVUFTILVOHEPKX-UHFFFAOYSA-N 204.269 2.521 30 40 BFEB C/C=C/c1cc2c(cc1CC#N)OCO2 1711260 MNHXCINCHGLVHR-NSCUHMNNSA-N 201.225 2.514 30 40 BFEB O=C(/C=C\c1cccnc1)/C=C/c1cccnc1 13146925 UWILVEPRHIRCJK-CGXWXWIYSA-N 236.274 2.772 30 40 BFEB C[C@H](C1CC1)N(C)Cc1ccccc1C#N 35207510 HECWDYPHTBCQJH-LLVKDONJSA-N 214.312 2.789 30 40 BFEB C#Cc1cccc(NCc2nc(C3CC3)no2)c1 48657455 KQGXSFTZXUTVOP-UHFFFAOYSA-N 239.278 2.540 30 40 BFEB N#CCc1ccc(OCC2CCC2)cc1 88133234 RCSPHGPEDWLZHM-UHFFFAOYSA-N 201.269 2.932 30 40 BFEB C=CCC[C@@H](CC)N[C@H](C)c1cnn(C)c1 96478364 XEQVQSOISNRFKL-DGCLKSJQSA-N 221.348 2.816 30 40 BFEB CN(N=O)C1=CC(=O)[C@@]2(C)CC[C@H]1C2(C)C 100363376 XIXAPCKYCBFXNO-PRHODGIISA-N 222.288 2.509 30 40 BFEB C=CCc1cc(Br)c(O)c(OC)c1 2545421 AYRWJRKOFLFEHI-UHFFFAOYSA-N 243.100 2.892 30 40 BFEB CC(C)(C)N/C=C\C(=O)c1ccccc1 4262706 MFDFLJKVRTWQKJ-KTKRTIGZSA-N 203.285 2.771 30 40 BFEB CC[C@H](C)C(=O)Nc1cccc(C#N)c1 13007166 IYGVSSNBXJZUIA-VIFPVBQESA-N 202.257 2.543 30 40 BFEB O=C1C=C/C(=N\c2ccc(O)c3ccccc23)O1 17430547 GGQULYPIZGUDIZ-FYWRMAATSA-N 239.230 2.688 30 40 BFEB O=[N+]([O-])c1cccc2c1/C(=N\O)c1ccccc1-2 22241212 IREFCDMUZQMTKX-YPKPFQOOSA-N 240.218 2.802 30 40 BFEB N#CCc1cc(-c2ccc(Cl)cc2)[nH]n1 36439015 ZWKKHRLWUFOSPA-UHFFFAOYSA-N 217.659 2.796 30 40 BFEB CCCN(CC#N)C(=O)C1=C(Cl)CCCC1 71910379 USNTWUPBIGEHHI-UHFFFAOYSA-N 240.734 2.815 30 40 BFEB CC[C@@](C)(O)C#Cc1cc(Cl)ccc1OC 95631520 MVPJTHPHVFWFAC-CYBMUJFWSA-N 238.714 2.861 30 40 BFEB Cc1cc(Br)cc(C(=O)CC#N)c1 97447187 IGUUQEUTDQVJGV-UHFFFAOYSA-N 238.084 2.854 30 40 BFEB O/N=C(C(=N/O)\c1ccccc1)/c1ccccc1 100012876 JJZONEUCDUQVGR-VMNXYWKNSA-N 240.262 2.743 30 40 BFEB CN1CCC(=O)/C(=C/c2ccc(Cl)cc2)C1 169974111 CERVOOBGZYQUKC-DHZHZOJOSA-N 235.714 2.628 30 40 BFEB C=CCCC(=O)c1cccc(OC(C)=O)c1 393806567 QIOXBCMZBGEASD-UHFFFAOYSA-N 218.252 2.761 30 40 BFEB CCOC(=O)Nc1sc(C)c(C)c1C#N 5473188 HKABPEBDGAZKTQ-UHFFFAOYSA-N 224.285 2.805 30 40 BFEB CCc1nc(C)cn1[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2 5615721 BTHRSGCFDKFCQP-XZVVVBHBSA-N 233.315 2.555 30 40 BFEB O=[N+]([O-])c1ccccc1C#Cc1ccccc1 6884829 OXTHQALUIYPPEV-UHFFFAOYSA-N 223.231 2.995 30 40 BFEB N#Cc1cccc(CSc2nncs2)c1 19847671 PLVFYQUHOLORMS-UHFFFAOYSA-N 233.321 2.702 30 40 BFEB CC(C)(C)OC(=O)N[C@@H](CC=O)C(C)(C)C 32099048 YQENZVRVJWTMQY-VIFPVBQESA-N 229.320 2.515 30 40 BFEB CCC[C@H](C)Nc1ccc(N)cc1C#N 41020313 DRNOKHSJTWBIRD-VIFPVBQESA-N 203.289 2.741 30 40 BFEB CC1(C)CC(=O)C2=C(C1)O[C@@]1(N)CCC[C@@H]2C1 68564698 KDMVKKFCTZDLDP-OTYXRUKQSA-N 235.327 2.505 30 40 BFEB CO[C@@]1(F)C(F)=C(F)C(F)(F)C1(F)F 95917646 KRJONBPWLXLTCB-YFKPBYRVSA-N 224.075 2.733 30 40 BFEB N#Cc1ccsc1NC(=O)Cc1ccccc1 4330619 ITQVLKBUTQGVHW-UHFFFAOYSA-N 242.303 2.801 30 40 BFEB Cc1c(C#N)c(N)n(C2CCCC2)c1C 36938880 OZPBETDTKPAOTN-UHFFFAOYSA-N 203.289 2.674 30 40 BFEB CN(Cc1ccccc1)c1ccc(N)cc1C#N 41020201 IXHVYLRUULYUQJ-UHFFFAOYSA-N 237.306 2.777 30 40 BFEB CC(C)[C@](C)(O)CNc1cccc(F)c1C#N 71902763 WJMNLNKVBNAQOV-CYBMUJFWSA-N 236.290 2.516 30 40 BFEB Cc1cc(Cl)n(-c2ccc(C#N)cc2)n1 85018932 TWJYQPGOHHDPKU-UHFFFAOYSA-N 217.659 2.706 30 40 BFEB in-vitro C#Cc1cccc(OCC(=O)C(C)(C)C)c1 199731608 LTLPGSFUORVWRQ-UHFFFAOYSA-N 216.280 2.662 30 40 BFEB C#CC[C@H]1CN2CC[C@H]1[C@H](c1ccccc1)C2 248160354 GMHYBUWLMCQRPO-XHSDSOJGSA-N 225.335 2.745 30 40 BFEB CO/N=C(\C)[C@@H]1C[C@H]1c1ccc(OC)cc1 5382261 AHVMJMWHTPGUEA-OQPMYKDASA-N 219.284 2.821 30 40 BFEB CCN(CC)/N=C(\S)Nc1ccccc1 8577857 PSDUHDQDQBAANV-UHFFFAOYSA-N 223.345 2.641 30 40 BFEB N#Cc1ccc(-c2ccc(CC(=O)O)cc2)cc1 26544403 JCZRXEXCOHAAGM-UHFFFAOYSA-N 237.258 2.852 30 40 BFEB N#Cc1ccc2c(c1)O[C@](F)(Cl)C(F)(F)O2 91252457 KTCVZQPDMJUMSC-QMMMGPOBSA-N 249.575 2.784 30 40 BFEB C=CCC[C@H](CC)N[C@H](C)c1cnn(C)c1 96478362 XEQVQSOISNRFKL-YPMHNXCESA-N 221.348 2.816 30 40 BFEB N#Cc1cnccc1Oc1cccc(C=O)c1 685937854 WZDBUAWRYKRKJD-UHFFFAOYSA-N 224.219 2.558 30 40 BFEB N#CCC(=O)N(c1nccs1)C1CCCCC1 3331276 XKOOOCKABUFYAR-UHFFFAOYSA-N 249.339 2.722 30 40 BFEB Cc1[nH]c2ccc(C(=O)O[C@@H](C)C#N)cc2c1C 7736056 CALZUGYSJWXLBO-QMMMGPOBSA-N 242.278 2.854 30 40 BFEB [O-]/[N+](=C\c1ccncc1)c1ccc(Cl)cc1 11535890 DEEWDAZIRIWVPX-DHDCSXOGSA-N 232.670 2.996 30 40 BFEB Cc1ccc(/C=C\C(=O)[C@H](C)CN(C)C)cc1 17142740 VLLQNQJORILGPQ-ASCRHOAZSA-N 231.339 2.775 30 40 BFEB CN(C(=O)C1(C#N)CCCC1)c1ccccc1 44292831 MKHAOUIFYRQEBI-UHFFFAOYSA-N 228.295 2.733 30 40 BFEB N#Cc1ccc(SC2CCCC2)nc1 58482163 KUXHJFLNZDMAPO-UHFFFAOYSA-N 204.298 2.988 30 40 BFEB COC1(OC)CC(C#N)(c2cc(C)cc(C)c2)C1 86035047 QAZVWKANZNBEHX-UHFFFAOYSA-N 245.322 2.848 30 40 BFEB C[C@@H](NCC#N)c1nc(-c2ccccc2)cs1 96502752 FYKDPCSVRFJFGZ-SNVBAGLBSA-N 243.335 2.984 30 40 BFEB CCC/C(=N\O)C(O)(CCC)CCC 104200809 KWZUUIYYMFQIKC-ZRDIBKRKSA-N 201.310 2.948 30 40 BFEB C=CCCC(=O)c1ccccc1C(=O)OC 381259263 RCZSDYHEBRPIBM-UHFFFAOYSA-N 218.252 2.622 30 40 BFEB N#C[C@@H](C(=O)Nc1ccccc1)c1ccccc1 1717521 FGCWOPKPCQWFHJ-CQSZACIVSA-N 236.274 2.932 30 40 BFEB N#CCc1ccc(NC(=O)C2CCCC2)cc1 8125691 RRLAWQBEITXXNO-UHFFFAOYSA-N 228.295 2.881 30 40 BFEB N#Cc1cccc(COc2ccc(N)cc2F)c1 37064790 GFXYLAJYBWBGAY-UHFFFAOYSA-N 242.253 2.859 30 40 BFEB in-vitro CCCSCC(=O)c1ccc(C#N)cc1 37353394 FZWFWAAUARZNBU-UHFFFAOYSA-N 219.309 2.884 30 40 BFEB C=C(C)COc1ccc([N+](=O)[O-])cc1OC 69352047 VOYNMZOUSVOJSY-UHFFFAOYSA-N 223.228 2.558 30 40 BFEB N#Cc1ccc2sc(Br)nc2c1 113987142 BPUCPVRLVCZBJC-UHFFFAOYSA-N 239.097 2.930 30 40 BFEB C/C(=N/c1ccccc1O)c1cc(O)ccc1O 408998733 BXOCQCOJPMTMHO-DHDCSXOGSA-N 243.262 2.944 30 40 BFEB Cc1cccnc1NC(=O)c1cccc(C#N)c1 12528563 LCCMEXKAWHVZNP-UHFFFAOYSA-N 237.262 2.514 30 40 BFEB Cn1cc(C(=O)/C=C/c2ccc(F)cc2F)cn1 49151520 USXOJIZIXZLETK-HWKANZROSA-N 248.232 2.594 30 40 BFEB O=C[C@@H]1C[C@@H]1c1ccc(Br)cc1 71621230 NLMMXUBXFPXMCD-WCBMZHEXSA-N 225.085 2.752 30 40 BFEB CCCCCC[C@H](CC)C(=O)NCC#N 71909753 FUURNOMLEWNABZ-NSHDSACASA-N 210.321 2.623 30 40 BFEB C[C@]12CC[C@@H](C/C1=N\O)[C@@]2(C)CCC(=O)O 103612145 JNIZOMYFBBJLFI-RVSZEZSDSA-N 225.288 2.508 30 40 BFEB Oc1ccc(/C=N/c2ccccc2O)cc1 18091257 KILNMRJUXROOCU-NTEUORMPSA-N 213.236 2.848 30 40 BFEB COc1ccc(-n2c(C)cc(C#N)c2C)cc1 20865132 ZCQOVCBVJHJOGI-UHFFFAOYSA-N 226.279 2.974 30 40 BFEB C=CCOc1c(Br)cccc1C=O 42412015 NCXUZGJWKOHRDP-UHFFFAOYSA-N 241.084 2.826 30 40 BFEB C=CCNC(=O)Nc1cccc(OC(F)F)c1 47908547 GFEBDSYPDIVVHH-UHFFFAOYSA-N 242.225 2.596 30 40 BFEB CC(C)(C#N)CCCNc1cccc(CO)c1 96494623 SBHPXJFBGKZXNQ-UHFFFAOYSA-N 232.327 2.921 30 40 BFEB C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@]1(C)O[C@H]21 100066686 KTEXNACQROZXEV-ILAZYQHXSA-N 248.322 2.762 30 40 BFEB biogenic,in-vitro N#Cc1ccc(OCc2cccc(F)c2)nc1 585654541 ISSZULPQJFEXQS-UHFFFAOYSA-N 228.226 2.671 30 40 BFEB C#C[C@]1(C)CCCN1C(=O)OCc1ccccc1 606300514 NNNSEIBKIKZQFR-OAHLLOKOSA-N 243.306 2.811 30 40 BFEB CCOC(=O)[C@]1(C)O[C@@H]1c1ccc(Cl)cc1 586465 NCAJAILXFIVPSI-ZYHUDNBSSA-N 240.686 2.733 30 40 BFEB CCOP(=O)(OCC)[C@@H](C#N)OC(C)(C)C 1610938 XKFOVAFSZZPVTI-VIFPVBQESA-N 249.247 2.917 30 40 BFEB F[C@@H]([C@H](F)C(F)(F)F)C(F)(F)F 2598029 CFSHSCBNZAKMAT-LWMBPPNESA-N 202.044 2.787 30 40 BFEB in-vitro CC1(C)C(=NN)C(C)(C)c2ccccc21 4265412 BJXWPYCLDMPBAP-UHFFFAOYSA-N 202.301 2.570 30 40 BFEB biogenic Cc1csc(N/N=C/c2cccs2)n1 8656732 GAHVWBBCLMJFJM-BJMVGYQFSA-N 223.326 2.959 30 40 BFEB C[C@H](CO)CS[C@H](C)c1ccc(C#N)cc1 76092910 KSXICNVQXDHFLC-GHMZBOCLSA-N 235.352 2.981 30 40 BFEB CO[P@@](C)(=O)/C(Cc1ccccc1)=N/O 104310117 NFNSCRWAQXPMNQ-AUECHBEKSA-N 227.200 2.571 30 40 BFEB CC[C@@H](CC#N)OC(=O)c1cccs1 188119482 ZKHDJARWOSHPIO-QMMMGPOBSA-N 209.270 2.597 30 40 BFEB CC[C@@H]1C[C@@H](C)CN1C[C@@H](C#N)CCC#N 195532099 MKPAVUYJAQDDIT-JHJVBQTASA-N 219.332 2.550 30 40 BFEB O/N=C(\Cl)c1ccc2ccncc2c1 669370398 LOJIXZYICATFGS-RAXLEYEMSA-N 206.632 2.609 30 40 BFEB C=CCn1c(C)cc(-c2csc(N)n2)c1C 3351134 ZNQGDRYCUALLNQ-UHFFFAOYSA-N 233.340 2.997 30 40 BFEB aggregator C=CCNC(=O)c1ccc(OC)c2ccccc12 8271236 AFFLOVATVGGSHY-UHFFFAOYSA-N 241.290 2.764 30 40 BFEB C#Cc1cccc(NC(=O)/C=C/c2ccco2)c1 12922300 STXGWRRFYPXUME-CMDGGOBGSA-N 237.258 2.913 30 40 BFEB C=CCN/C(=N\C#N)SCc1ccccc1 13133116 PTHRMPCTWRCNSD-UHFFFAOYSA-N 231.324 2.532 30 40 BFEB N#Cc1ccc(NCc2ccccc2O)cc1 19950942 FDEKDRLYVSLNDI-UHFFFAOYSA-N 224.263 2.876 30 40 BFEB C=C(Cl)CN(C)Cc1ccc(C#N)cc1 46856703 SVHUQVAPDRHWGT-UHFFFAOYSA-N 220.703 2.743 30 40 BFEB N#C[C@@H](CO)Cc1cccc2ccccc12 63064074 DOZQWQFFVDVOQP-NSHDSACASA-N 211.264 2.514 30 40 BFEB Cc1ccccc1[C@@H](C#N)NC(=O)c1ccoc1 66406189 NKXJBCXPLUTQRI-CYBMUJFWSA-N 240.262 2.583 30 40 BFEB CC(=O)c1ccccc1Oc1ccncc1C#N 685937693 OKOVTVUORGRHEK-UHFFFAOYSA-N 238.246 2.948 30 40 BFEB N#Cc1ccc2c(c1)[C@H]1CCC[S@@]1(=O)=N2 1503350595 DODDSMNPOPGJFY-ABAIWWIYSA-N 218.281 2.506 30 40 BFEB C=CC[C@]12CCC(=O)C=C1CCCC2=O 287645 HBBRHQLTEFRJFN-ZDUSSCGKSA-N 204.269 2.591 30 40 BFEB CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 298255 CKZAAOIKKBVMLF-ZETCQYMHSA-N 234.324 2.703 30 40 BFEB CCOc1ccc(-c2cc(C#N)on2)cc1 508164 DETPOFCJFACYPW-UHFFFAOYSA-N 214.224 2.612 30 40 BFEB Cc1cc(/N=C/C=C/Nc2cc(C)on2)no1 5379599 PVIDELJYFOZGJO-HJSZHNSDSA-N 232.243 2.608 30 40 BFEB Oc1ccccc1/C=N\c1ccccc1O 12375480 CHBGIQHEGBKNGA-ZROIWOOFSA-N 213.236 2.848 30 40 BFEB N/N=C1/C(Cl)=C(Cl)c2ccccc21 17140182 ZOUXRTOIKASPIE-UKTHLTGXSA-N 213.067 2.509 30 40 BFEB N#Cc1ccnc(Oc2ccc(F)cc2)c1 19439654 MEZPLJLLXGQTME-UHFFFAOYSA-N 214.199 2.885 30 40 BFEB CC(=O)/C=C1\N(C)c2ccccc2C1(C)C 31771782 OASCYHRIQHKJKX-LCYFTJDESA-N 215.296 2.887 30 40 BFEB N#CCCN1CCC[C@@H]1CCc1ccccc1 51422978 ZSBRWALASFPDHA-OAHLLOKOSA-N 228.339 2.997 30 40 BFEB CCCC[C@@H](CC=O)NC(=O)OC(C)(C)C 95100347 NAEBJRLJYYWIJK-JTQLQIEISA-N 229.320 2.659 30 40 BFEB O=CCC(=O)c1ccc(Cl)cc1Cl 101838099 SRLRHUIVGXJZGQ-UHFFFAOYSA-N 217.051 2.765 30 40 BFEB C=CCN(CC=C)C(=O)c1cccnc1Cl 2736671 FBCUQVMYSWJVEV-UHFFFAOYSA-N 236.702 2.549 30 40 BFEB CN(C)CC#C[C@@](C)(O)CCC1CCCCC1 16576261 BJRRPUFGYCGTMM-OAHLLOKOSA-N 237.387 2.663 30 40 BFEB N#CCN(C/C=C/c1ccccc1)C1CC1 69596935 ZMIYZULAVXRETK-QPJJXVBHSA-N 212.296 2.688 30 40 BFEB COc1cccc(CCC#N)c1OC(F)F 78406374 STEPGWKIHDLWPH-UHFFFAOYSA-N 227.210 2.753 30 40 BFEB C=CCNCc1cccc(C)c1OCC 95094836 BNNSHZJYFHRJEB-UHFFFAOYSA-N 205.301 2.669 30 40 BFEB CCN(CC)CC#Cc1ccc(OC)c(F)c1 95632227 IJPDTOKOSIOBJB-UHFFFAOYSA-N 235.302 2.528 30 40 BFEB Cc1ccc(C)c(C#C[C@@H](O)C(C)C)c1 95633585 MCQOYULCPHSKLP-CQSZACIVSA-N 202.297 2.672 30 40 BFEB OCCC/N=C\c1cc(Cl)cc(Cl)c1O 104074844 LJZJKIUPWHYTIS-MLPAPPSSSA-N 248.109 2.500 30 40 BFEB CC(=NNc1ccccc1)c1cccnc1 254403311 PFVJRCXZDDAHRM-UHFFFAOYSA-N 211.268 2.918 30 40 BFEB COC(=O)CC[C@H](C#N)c1ccccc1Cl 575440534 PCSVFKYHDJOSFL-SECBINFHSA-N 237.686 2.900 30 40 BFEB COc1cc(-c2scnc2C)ccc1C#N 642882833 AOJGUJIXORGRBT-UHFFFAOYSA-N 230.292 2.999 30 40 BFEB N#Cc1ccccc1-c1ccc(CO)cc1 1259384 FNDNKJXHTMOHKZ-UHFFFAOYSA-N 209.248 2.718 30 40 BFEB in-vitro C=CC[C@@](C#N)(C(=O)OCC)/C(C)=C/C 1717290 GDDASZVCTRBTHO-JXPAYYINSA-N 207.273 2.602 30 40 BFEB C=CCOc1ccc(CNC[C@@H]2CCCO2)cc1 2178131 XVHCPCSBBWUDHC-HNNXBMFYSA-N 247.338 2.520 30 40 BFEB COc1ccc(C(=O)/C=C/c2ccc[nH]2)cc1 7939567 KCGIRNKMRGZLAZ-RMKNXTFCSA-N 227.263 2.919 30 40 BFEB Cc1nc(N)c(C#N)c(-c2ccc(F)cc2)c1C 20267137 ADJFUPKTTUGJHE-UHFFFAOYSA-N 241.269 2.958 30 40 BFEB C#Cc1cccc(NC(=O)c2csc(C)n2)c1 49307852 JVQWFAKUFRDJBB-UHFFFAOYSA-N 242.303 2.685 30 40 BFEB C=C(C)CN(CC)C(=O)c1cc(C2CC2)on1 58391994 SHZSPQLHOPHEDH-UHFFFAOYSA-N 234.299 2.590 30 40 BFEB CCCCCCCCN[C@@H](C)CC(=O)OC 100408972 IDZPZGMOEWHPRR-LBPRGKRZSA-N 229.364 2.888 30 40 BFEB CC(C)(C)OC(=O)N1CC2(CC[C@@H](C#N)C2)C1 306877403 CIUGZGBEMDTZCR-SNVBAGLBSA-N 236.315 2.547 30 40 BFEB Cc1cc(C)[n+](Cc2ccc(C#N)cc2)c(C)c1 1857787630 PBOYXXGEHFZRTC-UHFFFAOYSA-N 237.326 2.819 30 40 BFEB C/C=C(\C)[C@@](C#N)(CCC)C(=O)OCC 1600414 VTSXSFDYXGOMAM-JXPAYYINSA-N 209.289 2.826 30 40 BFEB CCOC(=O)N1c2ccccc2S[C@@H]1C#N 1611454 MZHDSXVXBKAJGQ-SNVBAGLBSA-N 234.280 2.605 30 40 BFEB Cc1sc2nc3c(nc2c1C)/C(=N/O)CCC3 36643622 VOINRQYUVDOGKS-OQLLNIDSSA-N 247.323 2.823 30 40 BFEB Cc1ccc(NC(=O)N(C)C[C@H](C)C#N)cc1F 58326987 KMMSMGICYMCOJL-SECBINFHSA-N 249.289 2.758 30 40 BFEB CC[C@H](CC(=O)N[C@H](C)C#N)c1ccccc1 78418927 IQMFBAGMVXIFQH-VXGBXAGGSA-N 230.311 2.599 30 40 BFEB C=CCOc1c(CC=C)cc(/C=N/O)cc1OC 409073426 MYNRLZFWDCGIDD-XNTDXEJSSA-N 247.294 2.797 30 40 BFEB N#Cc1ccc(N[C@@H](CO)CC2CCCC2)cc1 611222226 IIIWNQUYDFPYCK-OAHLLOKOSA-N 244.338 2.911 30 40 BFEB O=C(/C=C/c1ccccn1)c1ccccc1O 4706842 RKZYMHSZANCMPI-CMDGGOBGSA-N 225.247 2.683 30 40 BFEB COc1ccccc1/C=N/c1ccccn1 12410267 DYJUEROOFOFUTD-XNTDXEJSSA-N 212.252 2.841 30 40 BFEB Cc1occc1C(=O)Nc1ccc(C#N)cc1 12989968 XZACGCNPOKCPAB-UHFFFAOYSA-N 226.235 2.712 30 40 BFEB Cc1ccc(C(=O)N(C)[C@H](C)CC#N)cc1C 63093966 KMMNFTCRNJRVCZ-GFCCVEGCSA-N 230.311 2.678 30 40 BFEB C/N=C(/NC[C@@H]1CC=CCC1)c1ccco1 71843661 ZCAKNECMQFTUJZ-LLVKDONJSA-N 218.300 2.602 30 40 BFEB CC(=O)C/C(=N/C(C)C)[C@H](C(C)=O)C(C)C 100218919 QDZUXAAKOJCPBC-BSHRGCEOSA-N 225.332 2.676 30 40 BFEB C=CCCC(=O)c1ccc(C(=O)OCC)o1 381431119 WSJKERKWBIQWDC-UHFFFAOYSA-N 222.240 2.605 30 40 BFEB N#Cc1cc2cccnc2c2ncccc12 406824 WYVVBWVHLKJJTE-UHFFFAOYSA-N 205.220 2.655 30 40 BFEB CCOc1ccc(C(=O)CCC#N)cc1 12411707 RKDAKUPMYFYKBN-UHFFFAOYSA-N 203.241 2.572 30 40 BFEB N#Cc1c(N)oc2c(c1=S)CCCCC2 16138127 LBFLAWRPZXZZLA-UHFFFAOYSA-N 220.297 2.732 30 40 BFEB N#Cc1ccccc1CN1CCCCCC1 19426931 NSKZOURTUODYNH-UHFFFAOYSA-N 214.312 2.934 30 40 BFEB CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO 31159935 CDVMOSRXPDTXBF-NJZAAPMLSA-N 236.355 2.957 30 40 BFEB biogenic,in-vitro C=C(Br)Cc1cc(C)ccn1 43209571 ZNSBVXQJAAOAIQ-UHFFFAOYSA-N 212.090 2.841 30 40 BFEB CC(C)(C)OC(=O)N1CC[C@@H](CCS)C1 84303449 NPJUGERPGXFQNG-VIFPVBQESA-N 231.361 2.563 30 40 BFEB CCCC1CCC2(CC1)O[C@]2(C)C(=O)OC 85657745 GNFXZCJTEZMEIF-YXMLORGKSA-N 226.316 2.677 30 40 BFEB C[C@@H](NC[C@H](O)C(C)(C)C)c1ccc(C#N)cc1 95987904 BDPMHTKXLXABBQ-RISCZKNCSA-N 246.354 2.616 30 40 BFEB C=CCn1c(C=O)ccc1Cc1ccco1 226031596 QGVHAIJKNHMNCL-UHFFFAOYSA-N 215.252 2.670 30 40 BFEB CC(=C/c1ccccc1)/C=N/n1cnnc1S 5828205 AJNDNSRECSAOAG-GBJAUHPPSA-N 244.323 2.504 30 40 BFEB C[C@H]1CCCCN1c1ccc(C#N)cc1N 22124374 NPEGKGABRQRYKQ-JTQLQIEISA-N 215.300 2.519 30 40 BFEB CC(C)(O)C#Cc1ccc(F)c(Cl)c1 95632844 QKVWXOFZYKGRTR-UHFFFAOYSA-N 212.651 2.602 30 40 BFEB CC(C)c1c(C#N)c(Cl)nc2c1COCC2 96511119 ZFSBJBFXUUBFMS-UHFFFAOYSA-N 236.702 2.803 30 40 BFEB N#CC[C@@H]1CCCCN1Cc1ccccc1 115680175 KPASZXJUWNSDJQ-AWEZNQCLSA-N 214.312 2.955 30 40 BFEB C=C(C)CNC(=S)Nc1cc(F)ccc1F 7571150 ORCOHNNBRBUXOC-UHFFFAOYSA-N 242.294 2.827 30 40 BFEB C[C@@H]1CN(Cc2ccccc2)[C@H](C)C/C1=N/O 12416440 VJXBICUWSHNVFV-LFPJIICWSA-N 232.327 2.747 30 40 BFEB N#Cc1cccc(NCc2ccccc2O)c1 19922043 QLPQWCBVRHNVDU-UHFFFAOYSA-N 224.263 2.876 30 40 BFEB Nc1cccc(/C=C/C(=O)c2cccnc2)c1 25664308 COJAKGKKRFRPLP-VOTSOKGWSA-N 224.263 2.560 30 40 BFEB CCC(=O)Nc1cccc(OCCCC#N)c1 48735369 GXRPUDWHFZJMKA-UHFFFAOYSA-N 232.283 2.718 30 40 BFEB COc1ccc(Cl)c2c1N(CC#N)CCC2 69537633 WJMWBWVVGMQXMY-UHFFFAOYSA-N 236.702 2.625 30 40 BFEB CCCN(CCC)c1cc(C)c(C#N)cn1 72223281 CQNKCXMSNREFSC-UHFFFAOYSA-N 217.316 2.888 30 40 BFEB CC(C)c1nnc(COc2ccccc2C#N)o1 84631271 NEJFJVBMISTWGK-UHFFFAOYSA-N 243.266 2.644 30 40 BFEB C#C[C@@H](Cc1ccccc1)OC(=O)CCC=C 89893940 AGOXCNWYFMFGQV-AWEZNQCLSA-N 228.291 2.740 30 40 BFEB CCOc1cc(Cl)c(C#N)cc1OC 218294626 XIMAAZSGCGPZDW-UHFFFAOYSA-N 211.648 2.619 30 40 BFEB C#CC[N+](C)(C)[C@H](C#Cc1ccccc1)CC=C 1833687 LYDJZEBXXNBKNQ-KRWDZBQOSA-N 238.354 2.692 30 40 BFEB Cc1ccc(N/N=C(\C#N)C(=N)S)c(C)c1 8829236 LBIBVRVLWYKSPV-XNTDXEJSSA-N 232.312 2.502 30 40 BFEB O/N=C1\[C@@H]2CCC[C@H]1[C@@]1(O)CCCC[C@H]1C2 11536008 PEDZZUSWXHDLGV-AAJCTFJLSA-N 223.316 2.558 30 40 BFEB C/C(=N\O)[C@@H](C)Oc1ccc(Cl)cc1 13132900 SIGNYVMVYQBEHE-LQGZHCLWSA-N 213.664 2.957 30 40 BFEB C=C(COc1cccc(C(F)(F)F)c1)C(=O)O 70380649 PFKORTJUPFAZME-UHFFFAOYSA-N 246.184 2.725 30 40 BFEB CCN1CCS/C1=N/c1ccc(OC)cc1 105788141 QMBCJURNULBNAG-OUKQBFOZSA-N 236.340 2.751 30 40 BFEB N#Cc1cc(N)c(Cl)n1Cc1cccc(F)c1 225890296 BSVVRUDOKVHZHE-UHFFFAOYSA-N 249.676 2.783 30 40 BFEB N#Cc1c2c(n(-c3ccccc3)c1N)CCCC2 20283131 KUEYFNWTDKAKGP-UHFFFAOYSA-N 237.306 2.810 30 40 BFEB Cc1cccc(C(=O)O[C@H]2CC[C@@H](C#N)C2)c1 89669063 GGFNNPJMECRQFP-YPMHNXCESA-N 229.279 2.844 30 40 BFEB C#CC1CCC(NC(=O)OC(C)(C)C)CC1 95068048 NZTBBJYAWNVCOE-UHFFFAOYSA-N 223.316 2.703 30 40 BFEB C=CCSc1nnc(C)n1-c1ccc(F)cc1 409092501 WMBHMZSBTKQRMO-UHFFFAOYSA-N 249.314 2.993 30 40 BFEB Cc1cccc(Cl)c1NC(=O)CC#N 143756 GPCJKAFQBNQMBW-UHFFFAOYSA-N 208.648 2.501 30 40 BFEB CCCCCCCCC(=O)N1CCN(C)CC1 1732453 FBLSADHLDNQWGN-UHFFFAOYSA-N 240.391 2.511 30 40 BFEB CCOC(=O)[C@H](C#N)[C@H]1CCC[C@H](C)CC1 4691799 MLKBVLYMGYYCCS-SDDRHHMPSA-N 223.316 2.906 30 40 BFEB O/N=C1\CCCc2c1[nH]c1ccccc21 5093954 KQJSIMCYBGAJEF-SDNWHVSQSA-N 200.241 2.683 30 40 BFEB CCc1n[nH]c(=S)n1/N=C/c1ccccc1C 5686833 FAQXKEGLXBDZDH-MDWZMJQESA-N 246.339 2.694 30 40 BFEB CC(=N\O)/C(=N/O)c1ccc(C(C)C)cc1 6365053 JHBWEMXCSZRUOY-CPUWGDESSA-N 220.272 2.838 30 40 BFEB C=CCNCc1ccc(N(CC)CC)cc1 6869672 WKRUEIVYHVXDCM-UHFFFAOYSA-N 218.344 2.808 30 40 BFEB N#Cc1cc2ccc(F)cc2nc1Cl 11985177 RSVITKVBOSWWRD-UHFFFAOYSA-N 206.607 2.899 30 40 BFEB C/C(=N\O)c1cccc[n+]1Cc1ccc(C)cc1 16991096 VMJIOXWAFPSHNM-UHFFFAOYSA-O 241.314 2.529 30 40 BFEB O=C(/C=C\c1cccnc1)/C=C\c1cccnc1 29589904 UWILVEPRHIRCJK-SFECMWDFSA-N 236.274 2.772 30 40 BFEB CC[C@]1([C@H]2CCCN2C(=O)OC(C)(C)C)CO1 72207975 FVSIKEXSQBOLKP-ZWNOBZJWSA-N 241.331 2.565 30 40 BFEB C[C@H](NCC#N)c1ccc(-c2cccnc2)cc1 96492234 PNQLAKNQAAEASA-LBPRGKRZSA-N 237.306 2.923 30 40 BFEB CCCCCn1nc(CC(C)C)c(C#N)c1N 225835869 YWULRNWLIVLLRL-UHFFFAOYSA-N 234.347 2.726 30 40 BFEB C[C@H]1CCC[C@@H](Oc2cncc(C#N)c2)C1 242539057 JNCDTVCFMCUZJZ-CMPLNLGQSA-N 216.284 2.911 30 40 BFEB CN(Cc1ccccc1)[C@@H]1/C(=N/O)[C@H]2CC[C@H]1C2 257345310 YNZIHLDKDXMMJM-KYIILVJFSA-N 244.338 2.747 30 40 BFEB C[C@@H](CCC1CC1)/N=C(/O)c1ccnc(O)c1 329904669 JERYIORMMUNPOC-VIFPVBQESA-N 234.299 2.671 30 40 BFEB N#CCC(CC#N)(CC#N)C(=O)c1ccccc1 685936209 KJMBGBSVOKVXOC-UHFFFAOYSA-N 237.262 2.597 30 40 BFEB C=CCNc1oc(-c2ccc(F)cc2)nc1C#N 1792956 KJCCNPFIXHZVQT-UHFFFAOYSA-N 243.241 2.950 30 40 BFEB COc1ccc(C2(C#N)CCC2)cc1F 75933882 KRQLNUFAPHUHSX-UHFFFAOYSA-N 205.232 2.780 30 40 BFEB N#CCc1cc(Br)cc2ncoc12 89263571 LHUIXMZKJCDPAA-UHFFFAOYSA-N 237.056 2.656 30 40 BFEB CC(C)c1ccc(C#CC(C)(C)O)cc1 95633075 PYEZAXZPBWGRFC-UHFFFAOYSA-N 202.297 2.932 30 40 BFEB C[C@H](C#N)N1CCC(Sc2ccccn2)CC1 96502084 IWIDXTBYWYWEKH-LLVKDONJSA-N 247.367 2.550 30 40 BFEB CCCCCCCC[C@@H]1CCC(=O)NC1=O 104271045 IKEYSXUFSXNJFC-LLVKDONJSA-N 225.332 2.790 30 40 BFEB C=CCOc1nnc(C)c2ccccc12 585651108 ADKIYGSBBMQHDK-UHFFFAOYSA-N 200.241 2.503 30 40 BFEB Cc1nn(C(F)F)cc1C#C[Si](C)(C)C 675031808 OIALKEAPMWERTR-UHFFFAOYSA-N 228.318 2.816 30 40 BFEB C=CC[C@@H](C=C)S(=O)(=O)c1ccc(C)cc1 478205 RVILKSXCLSXCRJ-GFCCVEGCSA-N 236.336 2.899 30 40 BFEB Cc1cc(C)nc(N/N=C/c2ccc(C)s2)n1 5158224 VMGKIYUNUKJOIL-NTUHNPAUSA-N 246.339 2.909 30 40 BFEB COc1cc(C#N)ccc1OCCC(C)C 19805051 LOVMXZARLVQFRU-UHFFFAOYSA-N 219.284 2.992 30 40 BFEB CCCCc1ccc(C(=O)/C=C/C(=O)O)cc1 41258632 ZUTBWIHBDNGBDF-MDZDMXLPSA-N 232.279 2.853 30 40 BFEB CCOS(=O)(=O)/C=C/c1ccc(Cl)cc1 72482119 TXIYKNQWCNDXKD-BQYQJAHWSA-N 246.715 2.677 30 40 BFEB CN(CCC#N)c1ccc2ccc(F)cc2n1 89340315 ZYQQDGXGLINNCQ-UHFFFAOYSA-N 229.258 2.724 30 40 BFEB CCc1cnc([C@@H](C)NCCCC#N)s1 97371374 NAWUGUGGUGVDQK-SECBINFHSA-N 223.345 2.660 30 40 BFEB CC(C)CC(O)=C1C(=O)CC(C)(C)CC1=O 100233808 RIEWTRDZPSOAHC-UHFFFAOYSA-N 224.300 2.803 30 40 BFEB in-vitro N#Cc1cc(C=O)ccc1OCC1CCC1 575421738 ARSAQXGHDQFZFH-UHFFFAOYSA-N 215.252 2.550 30 40 BFEB C=C(C)C[C@]12CCC(=O)C=C1CCCC2=O 4114356 GAESSEMWYRJEEA-CQSZACIVSA-N 218.296 2.981 30 40 BFEB C=CCNC(=O)c1oc2ccc(OC)cc2c1C 7842946 FESXTIXBFYSLKM-UHFFFAOYSA-N 245.278 2.666 30 40 BFEB Cn1cc(/C=C2\CCc3ccccc3C2=O)cn1 14175922 ITFNAUKKNBSMAX-MDWZMJQESA-N 238.290 2.633 30 40 BFEB C[C@H]1CCCCN1Cc1ccc(C#N)cc1 15417993 OHJGSWZOTIBNTE-LBPRGKRZSA-N 214.312 2.933 30 40 BFEB N#CC1(C(=O)Nc2ccc(Cl)cc2)CC1 28899329 MNRQVWMPIODTJB-UHFFFAOYSA-N 220.659 2.582 30 40 BFEB CC(C)[C@@](C)(C#N)NC(=O)CCc1ccccc1 32735968 YZBMIZAWSCZFLT-OAHLLOKOSA-N 244.338 2.674 30 40 BFEB N#C[C@@H](CO)Cc1ccc(Cl)cc1Cl 63064086 FXWCQQUIMLZRFS-ZETCQYMHSA-N 230.094 2.668 30 40 BFEB N#CCCCCSC1=NCCS1 97035085 QYEIPFBSFGXIGS-UHFFFAOYSA-N 200.332 2.516 30 40 BFEB C=C(Cl)Cn1c(=O)sc2ccccc21 98016328 ODTWKEMNQKCMEP-UHFFFAOYSA-N 225.700 2.816 30 40 BFEB C=C1OC(=O)O[C@@]1(C)[C@H]1C[C@H]2C=C[C@H]1C2 100016609 WRUOIXMDVJRLKX-QFOLPQNPSA-N 206.241 2.638 30 40 BFEB CC(C)=CCOC1=CC(=O)c2ccccc2C1=O 1609685 XFZFQASPBARVAD-UHFFFAOYSA-N 242.274 2.932 30 40 BFEB biogenic O=C1/C(=C/c2cccnc2)COc2ccccc21 7587152 RSRTZKSNVLICES-XYOKQWHBSA-N 237.258 2.740 30 40 BFEB CC/N=C/c1cc2cc(C)ccc2nc1O 9456425 YPROJPBKHDECPI-RIYZIHGNSA-N 214.268 2.688 30 40 BFEB COc1ccc(OC)c2c(Cl)c(C#N)cnc12 19427909 XUMPXASXBIBARL-UHFFFAOYSA-N 248.669 2.777 30 40 BFEB N#Cc1cccnc1NCc1ccccc1F 19486195 IDMQAXQDUFFLDP-UHFFFAOYSA-N 227.242 2.704 30 40 BFEB Cc1nc(COc2ccccc2C#N)oc1C 37909473 KUIILAGQLHQLJJ-UHFFFAOYSA-N 228.251 2.742 30 40 BFEB Cc1ccc([N+](=O)[O-])cc1-n1cccc1C#N 223739223 MSRVOXABRNTZQS-UHFFFAOYSA-N 227.223 2.566 30 40 BFEB C[C@H]1CCC[C@@H](C)N1[C@@H]1/C(=N/O)[C@H]2CC[C@H]1C2 257345258 FJTNUHLQJBBRRC-MFLXDJDPSA-N 236.359 2.878 30 40 BFEB N#CCC(=O)Nc1c(Cl)cccc1Cl 3885165 ITDZIXLTQAPSLL-UHFFFAOYSA-N 229.066 2.846 30 40 BFEB in-vitro O=C1C=CC(=Nc2ccc(O)c(Cl)c2)C=C1 4416657 RNIWVTZQQMUZAJ-UHFFFAOYSA-N 233.654 2.813 30 40 BFEB in-vitro N#CCc1ccc(OC(F)(F)F)c(F)c1 39712987 MIDNSRCOEGRXAX-UHFFFAOYSA-N 219.137 2.790 30 40 BFEB CN(C)/C=C\C(=O)C12CC3CC(CC(C3)C1)C2 100313403 OHTCJRWKOLBHGG-ARJAWSKDSA-N 233.355 2.847 30 40 BFEB CCc1cc(CC)cc(C(=O)CC#N)c1 113704456 CIRYJIKBVNHWOM-UHFFFAOYSA-N 201.269 2.908 30 40 BFEB CCCCCn1c(C#N)cc(N)c1CC 225852829 MSOSYDOHLYPKKJ-UHFFFAOYSA-N 205.305 2.695 30 40 BFEB COc1ccc(F)cc1C(=O)C=C(C)C 234864897 SXWKAKOMKTUGKJ-UHFFFAOYSA-N 208.232 2.983 30 40 BFEB O=C1CCC/C1=C/NCc1ccc(F)cc1 409175710 AQLMAYXRBKGQAU-LUAWRHEFSA-N 219.259 2.552 30 40 BFEB C=C(C)COC(=N)N(CC(=C)C)CC(=C)C 1665829 JUMXGDRJHWWPHE-UHFFFAOYSA-N 222.332 2.968 30 40 BFEB O/N=C/C1=C(C#Cc2ccccc2)CCC1 13407537 FNGBXIAWJMMZLN-RVDMUPIBSA-N 211.264 2.979 30 40 BFEB N#Cc1cccc(Nc2cccc(N)c2)c1 34959064 KGKKUZMSQNMMBQ-UHFFFAOYSA-N 209.252 2.884 30 40 BFEB in-vitro C=C(C)CSc1nccn1Cc1ccccn1 75611174 CUFXYQJPNLZVRC-UHFFFAOYSA-N 245.351 2.995 30 40 BFEB N#Cc1ccc(OC(F)F)c(Br)c1 85397030 CDHJVHKIZPOEIF-UHFFFAOYSA-N 248.026 2.922 30 40 BFEB ClC1(Cl)C[C@@H]2C[C@H]1[C@H]1[C@@H]3C[C@H]([C@H]4O[C@H]34)[C@H]21 104077779 BWMSTIRGXBWAMA-UXPNAGPVSA-N 245.149 2.850 30 40 BFEB CCCCn1c(C#N)cc(N)c1Br 225889283 XUIUVDHFFRWIAA-UHFFFAOYSA-N 242.120 2.505 30 40 BFEB N#CCCOCC#CC[C@H]1C[C@H]2C=C[C@H]1C2 230305728 OSKLPQFHBLIPHR-RDBSUJKOSA-N 215.296 2.522 30 40 BFEB Cc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2O)o1 36107992 HRHVWELGVXYSFX-NTUHNPAUSA-N 246.222 2.952 30 40 BFEB Oc1cccc(/C=N/Nc2ccccc2)c1 41212860 PAVUWDJBOUTYBW-GXDHUFHOSA-N 212.252 2.838 30 40 BFEB C=C[C@H](N)c1ccc(C(F)(F)F)cc1 44138963 VQHLJBHRAVBSPS-VIFPVBQESA-N 201.191 2.891 30 40 BFEB CC(C)(NCC#N)c1ccc(Cl)cc1 57846667 XUENPRSSTPJJAG-UHFFFAOYSA-N 208.692 2.688 30 40 BFEB O=C(NO)c1occc1CSc1ccccc1 68577308 REGDFFNVRPSJHV-UHFFFAOYSA-N 249.291 2.691 30 40 BFEB in-vitro CCOc1cccc(-c2cc(CC#N)n[nH]2)c1 72220389 SVQDEBUEMYPDCD-UHFFFAOYSA-N 227.267 2.541 30 40 BFEB CCO/C=C1/CCc2ccccc2C1=O 82556822 UOUDXZCQRGPBPX-LUAWRHEFSA-N 202.253 2.736 30 40 BFEB CCCC[C@@H](O)C#Cc1ccc(OC)c(OC)c1 95631964 TVMMAQURTVVKSR-CYBMUJFWSA-N 248.322 2.606 30 40 BFEB Cc1cc(F)cc(C#CC2(O)CCCC2)c1 95632270 JCWYVVYCNLENLI-UHFFFAOYSA-N 218.271 2.791 30 40 BFEB C=CCCC(=O)c1ccc(F)cc1OC 382704498 RMARLIPKVPNJNN-UHFFFAOYSA-N 208.232 2.983 30 40 BFEB O=[N+]([O-])c1cccc(/C=N/N=C/c2ccco2)c1 1709298 TUFHPZLBLIAGJU-UQNWOCKMSA-N 243.222 2.641 30 40 BFEB C=C1C(=O)O[C@@H]2[C@@H]1CC/C(C)=C\CC[C@@]1(C)O[C@H]21 7997351 KTEXNACQROZXEV-WTSFOFRHSA-N 248.322 2.762 30 40 BFEB biogenic,in-vitro Cc1cccnc1/N=C\c1ccccc1C(=O)O 12410182 HQVXBERCHJCQAF-SXGWCWSVSA-N 240.262 2.839 30 40 BFEB O=C(CC1CCCC1)NCC#Cc1ccccc1 12973032 PXPXSXKUFNGCAJ-UHFFFAOYSA-N 241.334 2.735 30 40 BFEB C[C@@H]1CC(=O)C=C2[C@H](O)C[C@@H]3[C@@H](C3(C)C)[C@]21C 14856017 ALMYSFNKELLWOO-XANOUDBCSA-N 234.339 2.565 30 40 BFEB biogenic,in-vitro Oc1ccccc1/C=N/C[C@H](O)c1ccccc1 18276257 ZBCOAVKWIKRCFX-BMANGOCTSA-N 241.290 2.545 30 40 BFEB CCN(C(=S)Nc1ccccc1C#N)C1CC1 44073774 DTRAUSPKPLJNIK-UHFFFAOYSA-N 245.351 2.739 30 40 BFEB N#Cc1cc(Cl)ccc1NCC1(O)CCC1 74749079 RVIVKQYDZJGLRB-UHFFFAOYSA-N 236.702 2.539 30 40 BFEB CC[C@@H]1C[C@@H](C)CN1C[C@H](C#N)CCC#N 80660057 MKPAVUYJAQDDIT-FRRDWIJNSA-N 219.332 2.550 30 40 BFEB C[C@@H](c1ccccn1)N(C)c1ccc(C#N)nc1 91475898 LOIKWFOWBOVXHD-NSHDSACASA-N 238.294 2.546 30 40 BFEB Cc1cc(NC(=O)O/N=C(/Cl)C(C)C)no1 97956077 IQUBDUWUOYZXCU-MDWZMJQESA-N 245.666 2.740 30 40 BFEB CCCCCCCCCP(=O)(O)O 97976220 OLGGYSFJQGDOFX-UHFFFAOYSA-N 208.238 2.915 30 40 BFEB in-vitro CCOc1c(Br)cc(F)cc1C#N 225285394 OVSZDOUFOMFLAS-UHFFFAOYSA-N 244.063 2.859 30 40 BFEB O=[N+]([O-])c1cccc(CO/N=C/c2ccco2)c1 408588020 AZMXNWCSDPKTIW-MDWZMJQESA-N 246.222 2.739 30 40 BFEB Cc1cccc(/C=N\N=C\c2cccc(C)n2)n1 4758513 VSJRZCZUEFIXFC-CKOAPEAFSA-N 238.294 2.546 30 40 BFEB C[n+]1ccccc1/C=C/c1cccc(C#N)c1 5002311 KMQOQBBRORXYID-CMDGGOBGSA-N 221.283 2.553 30 40 BFEB C[C@H]1CC(=O)C=CN1C(=O)OCc1ccccc1 34567622 CZZXYDLQRNIZGZ-NSHDSACASA-N 245.278 2.500 30 40 BFEB N#Cc1nccnc1Sc1cccc(F)c1 84489419 QUKUHYAHAZUPGQ-UHFFFAOYSA-N 231.255 2.639 30 40 BFEB C[C@H](O)C#Cc1ccc(C(C)(C)C)cc1 95631487 GVYJEYBSYSBGCN-NSHDSACASA-N 202.297 2.716 30 40 BFEB C/N=C1/S/C(=C/c2cccc(C)c2)C(=O)N1C 408930100 SBPUSPSXKCUDNQ-ZOBWXTBZSA-N 246.335 2.527 30 40 BFEB O=C(O/N=C1\CCCc2ccccc21)C1CC1 1396238 YWOVITDCRASAHU-FYWRMAATSA-N 229.279 2.680 30 40 BFEB N#CC1(C(=O)Nc2ccccc2)CCCC1 7334609 GXSBAXBELCRUKA-UHFFFAOYSA-N 214.268 2.709 30 40 BFEB C[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 8730519 FYVFNHGWHAVRSX-GFCCVEGCSA-N 214.312 2.790 30 40 BFEB Cc1cc(Cl)ccc1N1C[C@H](C#N)CC1=O 11894270 UWVMVKQPOSZCGT-VIFPVBQESA-N 234.686 2.525 30 40 BFEB C=C(C)CN(C)CCc1ccc(OC)c(OC)c1 48368190 ZTQNWVYGQHFYNI-UHFFFAOYSA-N 249.354 2.754 30 40 BFEB C=CCCC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 95991495 FSZQOUPQLKIVSL-UHFFFAOYSA-N 234.255 2.808 30 40 BFEB CCOC[C@@H](C)Nc1ccc(CC#N)cc1 97139345 GECKANWDHOWCNP-LLVKDONJSA-N 218.300 2.590 30 40 BFEB CCn1c(C#N)ccc1Cc1ccccc1 226027339 AFWGEYFXDSSWLG-UHFFFAOYSA-N 210.280 2.970 30 40 BFEB CN(C)CCC[C@@H](C#N)c1ccccc1 3635878 NXHIHKLMPBXJOK-ZDUSSCGKSA-N 202.301 2.636 30 40 BFEB C=CCNC(=S)Nc1ccc(CC)cc1 6870987 BIMIIYCIMBHCGX-UHFFFAOYSA-N 220.341 2.721 30 40 BFEB in-vitro O=C(C#Cc1ccccc1)Cc1ccccc1 15772937 IWCMRVFONGZPMZ-UHFFFAOYSA-N 220.271 2.850 30 40 BFEB CC(C)(C)C(=O)/C=C\Nc1ccc(O)cc1 16322668 SHOVQDQOUUWUJO-HJWRWDBZSA-N 219.284 2.933 30 40 BFEB C1CC[S+](CCCC[S+]2CCCC2)C1 17300851 GMVIGWZTPJIFBJ-UHFFFAOYSA-N 232.458 2.591 30 40 BFEB CCC(CC)NCc1cccc(C#N)c1 19883814 SFPNKYUOARVIOM-UHFFFAOYSA-N 202.301 2.836 30 40 BFEB C#Cc1cccc(N[C@@H](C)C2CCN(C)CC2)c1 37208536 CRFVMPMYNYBTIQ-ZDUSSCGKSA-N 242.366 2.810 30 40 BFEB CC[C@@](C)(O)C#Cc1ccc(C)c(C)c1 95633596 KJECTIHPQMYQLM-CQSZACIVSA-N 202.297 2.816 30 40 BFEB O/N=C/c1ccc(F)c(C(F)(F)F)c1 100479405 ALVPYOMTFBJWKK-YIXHJXPBSA-N 207.126 2.653 30 40 BFEB O=C1CCC/C1=C/Nc1cccc([N+](=O)[O-])c1 101603010 LLDSIEQCWAZSRW-HJWRWDBZSA-N 232.239 2.644 30 40 BFEB CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[C@H]2C#N 953067721 WINXSOQPOOPJRB-DCAQKATOSA-N 236.315 2.546 30 40 BFEB CC(=O)NC1(C#N)c2ccccc2-c2ccccc21 1599684 DQFHMXZZMZUVSH-UHFFFAOYSA-N 248.285 2.570 30 40 BFEB N/C(=N\OCc1ccccc1)c1ccccc1 4293437 JFHLJPZWYARSIE-UHFFFAOYSA-N 226.279 2.524 30 40 BFEB biogenic C/C(=N\N)c1ccc2c(c1)-c1ccccc1C2 6049500 KOVGEYZUJHERFW-LICLKQGHSA-N 222.291 2.941 30 40 BFEB Cc1ccc(/C(=N/O)c2ccc(O)cc2O)cc1 32634058 YCFHSZHYBXLZKT-PFONDFGASA-N 243.262 2.633 30 40 BFEB CN/C(=N/c1ccccc1OC)c1ccccc1 35728640 PRDLUPOMSMEGFJ-UHFFFAOYSA-N 240.306 2.993 30 40 BFEB N#Cc1cccnc1NCC1CCCCC1 37247329 NCRYBDTYYXDIRI-UHFFFAOYSA-N 215.300 2.945 30 40 BFEB CC[C@H](CC#N)OC(=O)c1cc(Cl)cn1C 188024378 ADCAWDMOBLJKCB-SECBINFHSA-N 240.690 2.528 30 40 BFEB CC[C@H](C)n1c(C#N)cc(N)c1N(CC)CC 225863951 WLTUGUAJMCUAPY-JTQLQIEISA-N 234.347 2.759 30 40 BFEB N#Cc1ccc(Oc2ccc(O)c(CO)c2)cc1 2362803331 ZTJKVXTXDBZRNP-UHFFFAOYSA-N 241.246 2.548 30 40 BFEB CC(=O)CC[C@@H](C)/N=C/c1ccc(N(C)C)cc1 16955112 IBCQWOWDLDHXPI-PILJQMSFSA-N 246.354 2.929 30 40 BFEB C[C@H](NC(=O)C1(C#N)CCCC1)c1ccccc1 26456211 DZOYEMSYYRERPR-LBPRGKRZSA-N 242.322 2.948 30 40 BFEB CN(C)Nc1oc(-c2ccccc2)cc1C#N 28405878 JYTBPOANOKRBBL-UHFFFAOYSA-N 227.267 2.707 30 40 BFEB Cc1cc(NC(=O)c2sccc2C#N)sn1 89608917 BWXTWYAJCGGFLN-UHFFFAOYSA-N 249.320 2.637 30 40 BFEB CCC(=O)OCC#Cc1cc(Cl)ccc1C 95631739 IZOPHJVNAXCIRB-UHFFFAOYSA-N 236.698 2.953 30 40 BFEB C=C(C)[C@@H]1CC[C@@]2(C)[C@H](C1)[C@](C)(O)CC[C@H]2O 257472325 LGKGTMWCBFNQHP-QKGCVVFFSA-N 238.371 2.891 30 40 BFEB biogenic,in-vitro C1=C/C(=C2\C=Cc3ccccc3O2)[S+]=C1 409415766 DGNKSGZXXPCCGQ-SEYXRHQNSA-N 213.281 2.758 30 40 BFEB N#Cc1cc(-c2ccccc2Cl)no1 509169 CHMDVCYWFQTCQB-UHFFFAOYSA-N 204.616 2.867 30 40 BFEB C[C@H](N/C=C\C(=O)C(F)(F)F)c1ccccc1 2561298 FVGVHYUYESBBLJ-FUOZMLNRSA-N 243.228 2.982 30 40 BFEB Cc1ccccc1/N=C1\NCCCS1 3268512 BUNDSUYBSCAHHK-UHFFFAOYSA-N 206.314 2.709 30 40 BFEB in-vitro C/C=C\C=N/N(C)C(=N)c1ccccc1 4530030 VRLMXMWOCCSAIT-QHQOCEDQSA-N 201.273 2.506 30 40 BFEB CCS/C=C/C#CC1(O)CCCCC1 4892372 OHTVGUBQPBRFRZ-YRNVUSSQSA-N 210.342 2.952 30 40 BFEB C/C(=N\Nc1ccccc1)c1ccncc1 16137202 RATLFQUOTFXXDX-RVDMUPIBSA-N 211.268 2.918 30 40 BFEB N/N=C(/C=C/c1ccccc1)c1ccccc1O 22011273 AVMGXXCTNFBLOD-UDUOVWRXSA-N 238.290 2.768 30 40 BFEB COc1ncccc1CNc1ccc(C#N)cc1 37404267 SQLYSKMDNMASOU-UHFFFAOYSA-N 239.278 2.574 30 40 BFEB N#CCCN(c1ncnc2sccc12)C1CC1 42549639 MKQMTVAHXMUBEL-UHFFFAOYSA-N 244.323 2.574 30 40 BFEB Cc1nc(OCc2ccccc2)ccc1C#N 72224458 WMQZDIYFOCJORD-UHFFFAOYSA-N 224.263 2.841 30 40 BFEB CCCC1CCC2(CC1)O[C@@]2(C)C(=O)OC 85657747 GNFXZCJTEZMEIF-YDGIUTOCSA-N 226.316 2.677 30 40 BFEB COCC#CCN1CC[C@@H](C)C[C@H]1c1ccco1 89929883 CMVJSFPNAKVAMC-KGLIPLIRSA-N 247.338 2.702 30 40 BFEB CC[C@@H](CC#N)NC(=O)c1ccc(F)cc1C 97085159 PHQOOZPOTKCNPF-NSHDSACASA-N 234.274 2.556 30 40 BFEB Cc1ccc(S(=O)(=O)OCC(C)(C)C)cc1 1723287 ZIUSUDLSXJPGTD-UHFFFAOYSA-N 242.340 2.746 30 40 BFEB C/N=C(/NC)c1ccc(Cl)c(Cl)c1 1737447 AVCILZDNVLCHAJ-UHFFFAOYSA-N 217.099 2.589 30 40 BFEB N#C/N=C\N1CC=C(c2ccc(Cl)cc2)CC1 17105993 WOBQCEMCOHJZTJ-YBEGLDIGSA-N 245.713 2.938 30 40 BFEB CC(C)/N=C1\N=C(NC(C)C)c2ccccc21 17248316 KQLKMLZRRHBJGH-UHFFFAOYSA-N 229.327 2.600 30 40 BFEB C=CCNCc1ccc(C(F)(F)F)cc1 19875775 WGUISRMWBHQJLH-UHFFFAOYSA-N 215.218 2.981 30 40 BFEB N#Cc1cc(N)ccc1NCCc1ccccc1 20134990 RXMQEEONXYWDTJ-UHFFFAOYSA-N 237.306 2.795 30 40 BFEB CC(C)=C[C@H]1[C@@H](C(=O)N(CC#N)C2CC2)C1(C)C 65895097 RIZTUHGISSPNID-STQMWFEESA-N 246.354 2.739 30 40 BFEB C=CCOc1cc(Cl)sc1C(=O)OC 96510897 AVEBBMDCNWDSML-UHFFFAOYSA-N 232.688 2.753 30 40 BFEB CNC(=S)/C(C(C)=O)=C(\C)Nc1ccccc1 104194464 WKOJAMTYLUNJGX-FMIVXFBMSA-N 248.351 2.508 30 40 BFEB C=CCOc1ccc(/N=N\C(C#N)C#N)cc1 104326063 IDYNHRPKSJCWNY-NXVVXOECSA-N 226.239 2.751 30 40 BFEB Cc1ccc2c(c1)[C@@]1(C)C=CC(=O)C[C@@H]1O2 338957 RGTPQXAKJODXMX-UONOGXRCSA-N 214.264 2.543 30 40 BFEB CCOC(=O)[C@@H](C#N)c1cccc(Cl)c1 2530104 YRJLGZCWCQCFIC-JTQLQIEISA-N 223.659 2.510 30 40 BFEB O=C(/C=C/c1ccccc1O)c1ccco1 3892548 CTPZVSOXBBLRFZ-BQYQJAHWSA-N 214.220 2.881 30 40 BFEB N#CC1(NC(=O)c2ccc(Cl)cc2)CCCC1 12357068 QIKMVDPKDBFFSN-UHFFFAOYSA-N 248.713 2.906 30 40 BFEB N#C[C@@H](N)c1c(Cl)cccc1Cl 19269153 SIGRSXMNRRYYAW-SSDOTTSWSA-N 201.056 2.517 30 40 BFEB C#Cc1cccc(NCc2cccnc2)c1 19876835 HLDPVSGJQPIGOV-UHFFFAOYSA-N 208.264 2.675 30 40 BFEB CC[C@@H](C)C(=O)N[C@@H](C#N)c1ccccc1C 66406082 ZSLZNQVOJHSMSY-MFKMUULPSA-N 230.311 2.722 30 40 BFEB C=CCCC(=O)NCCc1ccc(C)c(OC)c1 78145806 HMWNRDYBBKPVSE-UHFFFAOYSA-N 247.338 2.629 30 40 BFEB CCc1ccc(C#N)n1-c1nc(C)cs1 225302965 HKFZRDKXNYULOB-UHFFFAOYSA-N 217.297 2.676 30 40 BFEB C[C@@H]1CCC[C@H](Oc2cncc(C#N)c2)C1 242539061 JNCDTVCFMCUZJZ-PWSUYJOCSA-N 216.284 2.911 30 40 BFEB CCc1ccc(C(=O)/C=C/[n+]2ccccc2)cc1 4276978 ONEPPQANKMFCPU-JLHYYAGUSA-N 238.310 2.890 30 40 BFEB CC(C)C[C@@](C)(C#N)NC(=O)OC(C)(C)C 73633075 CUILSLRXDDUPRS-LBPRGKRZSA-N 226.320 2.839 30 40 BFEB CC(C)c1ccccc1NC(=O)CS 111817 SSYJKTMQHAWTKP-UHFFFAOYSA-N 209.314 2.678 30 40 BFEB CC(/C=N/N=C(\N)c1ccccc1)=C\Cl 5183656 DOQMSOOXPLZCSO-AITIXOJYSA-N 221.691 2.520 30 40 BFEB Fc1cccc(N/N=C/c2cccnc2)c1 6241080 APHXDWQTPLUPHD-OQLLNIDSSA-N 215.231 2.667 30 40 BFEB C=C[C@H](C)NC(=S)Nc1ccnc(Cl)c1 16576236 RPGGHFHYTKJHOL-ZETCQYMHSA-N 241.747 2.596 30 40 BFEB CCN(CC)[C@H](C#N)c1ccc(C)cc1 19934156 KTJHGWWXEMJYJF-CYBMUJFWSA-N 202.301 2.902 30 40 BFEB N#Cc1ccc(OCc2ccccc2)c(N)c1 35674793 DDRLPEZXKHUSGR-UHFFFAOYSA-N 224.263 2.719 30 40 BFEB O/N=C1/C=Cc2cc3ccccc3cc2/C1=N/O 68719660 GBXXQGJKHFKHLS-VMNXYWKNSA-N 238.246 2.875 30 40 BFEB Cc1cc(Cl)ccc1C#CC[C@H](C)O 95633448 VGNGUVWXDQSJTR-JTQLQIEISA-N 208.688 2.771 30 40 BFEB N#Cc1cccnc1Oc1ccc([N+](=O)[O-])cc1 22796786 GMIUJDTYZGDMCW-UHFFFAOYSA-N 241.206 2.654 30 40 BFEB C=CCSc1cc(OC)ccc1OC 37627683 DJBMQWRRJCZOSP-UHFFFAOYSA-N 210.298 2.982 30 40 BFEB N#Cc1ccc(C(F)(F)F)c(C(F)(F)F)n1 91252247 CWUFZKSQCMSYCY-UHFFFAOYSA-N 240.106 2.991 30 40 BFEB CCO[C@@H](C)OCC#Cc1ccc(F)cc1 95632475 PSVGJUOLACERBD-LLVKDONJSA-N 222.259 2.576 30 40 BFEB COc1ccc(F)cc1C#CC1(O)CCCCC1 95633635 ZXSXOQLYPRLIND-UHFFFAOYSA-N 248.297 2.881 30 40 BFEB N#Cc1ncc(Cl)c(Cl)c1Cl 139442 UBUTVAIAQCVVBX-UHFFFAOYSA-N 207.447 2.913 30 40 BFEB CCCCCCCNc1ncnc2c1cnn2C 1577356 SPPGYCQBURTMAJ-UHFFFAOYSA-N 247.346 2.746 30 40 BFEB SCCSCCCSCCS 5496851 XYHKMRNYSMEEDT-UHFFFAOYSA-N 228.473 2.703 30 40 BFEB in-vitro Cn1nc(-c2ccccc2)c(/C=N/O)c1Cl 13136584 XESJWRWGYLJFJT-NTUHNPAUSA-N 235.674 2.549 30 40 BFEB C=CC[C@@H](C(=O)C(C)(C)C)C(=O)C(C)(C)OC 20150256 JUKFPUJTOYOTAG-JTQLQIEISA-N 240.343 2.788 30 40 BFEB N#CC1(C(=O)Nc2cccc(Cl)c2)CC1 28899341 AQIWXBTVVHCEHK-UHFFFAOYSA-N 220.659 2.582 30 40 BFEB N#CCc1ccc(F)cc1OC(F)(F)F 91252271 BMLRJRAUOHQFRW-UHFFFAOYSA-N 219.137 2.790 30 40 BFEB C=C1C(=O)O[C@@H]2[C@@H]1CC/C(C)=C/CC[C@]1(C)O[C@H]21 238775010 KTEXNACQROZXEV-MMWFFZCQSA-N 248.322 2.762 30 40 BFEB C#C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 521400823 CJVRIMIDHYKFLD-MNOVXSKESA-N 223.316 2.655 30 40 BFEB O=C(C=Cc1ccco1)c1ccc(O)cc1 1911648574 UROHUHJEHDQADU-UHFFFAOYSA-N 214.220 2.881 30 40 BFEB C[C@@](C#N)(Nc1ccccc1)c1ccccn1 344076 NJYLPSJRWYRWLG-AWEZNQCLSA-N 223.279 2.932 30 40 BFEB c1ccc(C2OCC3(CC[C@H]4O[C@H]4C3)CO2)cc1 3138905 ALNBOXIUYVENNJ-DNDYEEKYSA-N 246.306 2.670 30 40 BFEB CC/C(=N\O)c1cc(Cl)cc(C)c1O 5414720 STHURFAHMYYWFR-FMIVXFBMSA-N 213.664 2.942 30 40 BFEB C[C@@H](C#N)Sc1nc2ccccc2n1C 8232543 HYYJCEIVSQRBLJ-QMMMGPOBSA-N 217.297 2.577 30 40 BFEB C[C@@H]1CCCCN1c1ccc(N)cc1C#N 20135184 IHQYMXMXICGDSF-SNVBAGLBSA-N 215.300 2.519 30 40 BFEB COc1ccc(OC[C@H]2CO2)c2ccccc12 35645034 AVLUBEJQNBBJCK-SNVBAGLBSA-N 230.263 2.626 30 40 BFEB in-vitro Cc1nc(-c2ccccc2)c(C#N)s1 75601649 CLGMFVPFRMXIRG-UHFFFAOYSA-N 200.266 2.990 30 40 BFEB C=C(C)C(=O)c1cc(F)c(OC)cc1F 83988311 DAZCIIAIDLHXGX-UHFFFAOYSA-N 212.195 2.732 30 40 BFEB N#Cc1nccn1CCCCc1ccccc1 122350276 JANZALOBVVRNMH-UHFFFAOYSA-N 225.295 2.778 30 40 BFEB CN1C=CC=C/C1=C1\C(=O)c2ccccc2[N+]1=O 135870293 HBLWZYLLTPADAQ-SEYXRHQNSA-N 239.254 2.520 30 40 BFEB C=CCNC(=O)/C=C/c1ccc(Cl)cc1 5283078 MBTBYWFODZVGNB-VMPITWQZSA-N 221.687 2.655 30 40 BFEB CCc1cc(-c2ccccc2)c(C#N)c(N)n1 20436989 IHCAOYBJSBJURD-UHFFFAOYSA-N 223.279 2.765 30 40 BFEB N#C[C@@H](C=O)c1ccc(Cl)c(Cl)c1 40566559 VLVPUPYAEYXXJO-ZETCQYMHSA-N 214.051 2.799 30 40 BFEB CCCCCCCCSCCC(N)=O 59895272 HWLAHSLPVGUYBS-UHFFFAOYSA-N 217.378 2.956 30 40 BFEB C=CCOc1cccc(NC2CCOCC2)c1 80196042 QKRGKZIZTUZMDT-UHFFFAOYSA-N 233.311 2.842 30 40 BFEB CCO[C@H]1C[C@@H](N(C)CCC#N)C12CCCC2 96419754 ZBFVWFLWNHNFCC-OLZOCXBDSA-N 236.359 2.570 30 40 BFEB N#CCc1ccc(Br)c(F)c1F 98210856 PYTUHGYWAKOHTG-UHFFFAOYSA-N 232.027 2.793 30 40 BFEB C(=N\OCCc1ccccc1)\c1cccnc1 4577925 JCVYFJONAJNXEU-VBKFSLOCSA-N 226.279 2.675 30 40 BFEB C[n+]1ccccc1/C=C/c1ccc(C#N)cc1 5002310 UHVMSPUQMMBDGX-MDZDMXLPSA-N 221.283 2.553 30 40 BFEB N#CCC(=O)c1cc(F)ccc1Br 19477803 TVLQQEUSCKEWQW-UHFFFAOYSA-N 242.047 2.685 30 40 BFEB C[C@@H](NCC#CC(C)(C)C)[C@H](O)c1ccccc1 20654014 QHNZUAXYUSAKJQ-HIFRSBDPSA-N 245.366 2.748 30 40 BFEB C[C@H](NC[C@@H](O)C(C)(C)C)c1ccc(C#N)cc1 95987905 BDPMHTKXLXABBQ-SMDDNHRTSA-N 246.354 2.616 30 40 BFEB Cc1cc(C#N)c(NC(=O)c2ccco2)s1 128340 MJZPNLAWAZFCER-UHFFFAOYSA-N 232.264 2.774 30 40 BFEB N/C(S)=N/N=C/c1ccc(Cl)c(Cl)c1 171938 OMVGKAWQTXZISA-UUILKARUSA-N 248.138 2.572 30 40 BFEB in-vivo CCCC/C(C)=N/n1c(C)cc(C)c(C#N)c1=O 4550442 LTANCHIIYRBXMM-LFIBNONCSA-N 245.326 2.751 30 40 BFEB Cc1ccc(C#CC[N+]2(C)CCCCC2)cc1 4728712 QIJASTGQQDGRQQ-UHFFFAOYSA-N 228.359 2.977 30 40 BFEB Cn1c2c(c3ccccc31)/C(=N/O)CCC2 12410483 RNZIBACELZNVJG-GXDHUFHOSA-N 214.268 2.693 30 40 BFEB C=C1CCC[C@]2(C)CC[C@H]([C@@](C)(O)CO)C[C@@H]12 15208654 FUUSVPZQXDAJBK-XQLPTFJDSA-N 238.371 2.892 30 40 BFEB biogenic,in-vitro O=C(O)/C(=N\Nc1ccccc1)c1ccccc1 16889860 BJIRGSLXYCEUMW-SSZFMOIBSA-N 240.262 2.587 30 40 BFEB COc1ccccc1[C@H](C#N)C(=O)C(C)C 36931165 UQXFCLVNJAMKPR-NSHDSACASA-N 217.268 2.527 30 40 BFEB N#C[C@@H](C(=O)c1cccnc1)c1cccc(F)c1 37346747 KFZBXSFHAQTRJF-CYBMUJFWSA-N 240.237 2.711 30 40 BFEB CCCN(CC#N)[C@H]1CCc2ccccc2C1 64632578 XDHBRPZRSMCEDZ-HNNXBMFYSA-N 228.339 2.779 30 40 BFEB N#Cc1nc(Br)c(F)cc1Cl 72204028 VFWBDZYBRIIRHP-UHFFFAOYSA-N 235.443 2.508 30 40 BFEB C(=N/Nc1nc2ccccc2s1)\[C@@H]1CCOC1 84603517 FISFFPZUTSJSBV-PBJWJZLWSA-N 247.323 2.731 30 40 BFEB CC1=NOC(=O)/C1=C\[C@H](C)c1ccccc1 96193657 HDBWIOGGQWBADQ-RILYUOAZSA-N 215.252 2.649 30 40 BFEB CC(C)=Nc1ccc(C)cc1[C@@H]1COC(=O)C1=N 103077221 LLNJSONMPJQIJQ-NSHDSACASA-N 244.294 2.767 30 40 BFEB CC1(C)O[C@]12[C@H]1CC[C@H]2[C@H]2[C@@H]1C=C[C@]21OC1(C)C 104104540 POYSTDSITBWHIH-VEXUOFPXSA-N 246.350 2.924 30 40 BFEB N#Cc1cc(N)c(Cl)n1Cc1ccccc1 225890105 IZIGOCMQYGVJND-UHFFFAOYSA-N 231.686 2.644 30 40 BFEB N#CC[C@@H](C(=O)c1cccnc1)c1ccccc1 1731968 RMPSWTOARDWNGI-CQSZACIVSA-N 236.274 2.962 30 40 BFEB N#Cc1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 4331722 TZCQBTXJIYVHTO-UHFFFAOYSA-N 245.282 2.847 30 40 BFEB C=C(C)CNC(=S)N(C)Cc1ccccc1 6262198 PHGFFVMTJAWULA-UHFFFAOYSA-N 234.368 2.569 30 40 BFEB Cc1cccc(/N=C2/NC(=O)[C@H](C)S2)c1C 8415217 VVJOJUJPISNKSR-VIFPVBQESA-N 234.324 2.542 30 40 BFEB C=CCNC(=O)c1cccc(Cl)c1Cl 13326074 HEAWYYVTSMBKPB-UHFFFAOYSA-N 230.094 2.909 30 40 BFEB COc1cccc(/C=N/Nc2ccccc2)c1O 16228139 NZAUBPGRPQOCFJ-XNTDXEJSSA-N 242.278 2.847 30 40 BFEB Cc1nc(N)c(C#N)c(-c2ccccc2F)c1C 19874902 PKQLPLARAXPESD-UHFFFAOYSA-N 241.269 2.958 30 40 BFEB O=C(/C=C/c1ccccn1)c1cccc(F)c1O 36719689 YDWCJJGWXXOVCY-BQYQJAHWSA-N 243.237 2.822 30 40 BFEB C=CCn1cc(C(=O)NC2CC2)c2ccccc21 57419319 UNKRJIZBDZNIPP-UHFFFAOYSA-N 240.306 2.720 30 40 BFEB CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](S)C1 218744912 PCDOFJVVBXRUHP-RKDXNWHRSA-N 231.361 2.752 30 40 BFEB Cc1ccc(Sc2c(N)cc(C#N)n2C)cc1 225888124 AXSMKMKWTLELQF-UHFFFAOYSA-N 243.335 2.939 30 40 BFEB C=C1N(c2ccccc2)C(=O)OC1(C)C 50654 JYECHXPYSUZVDO-UHFFFAOYSA-N 203.241 2.936 30 40 BFEB biogenic CC1(C)CCC(N2CCCCC2)=CC1=O 343596 AAUOFYDDKPOTRZ-UHFFFAOYSA-N 207.317 2.745 30 40 BFEB C=C1CC[C@@H]2[C@@H](CC2(C)C)C(=O)CC[C@H]1O 3979079 BSFUDCIRZBAPDS-IJLUTSLNSA-N 222.328 2.709 30 40 BFEB endogenous,in-man C/C(=N\Nc1ccccc1)c1sc(N)nc1C 16887158 ZSDLCRQRCMVDBG-OQLLNIDSSA-N 246.339 2.870 30 40 BFEB N#Cc1cc(-c2ccccc2)sc1N 20368979 WEAZGHUZIQFNLY-UHFFFAOYSA-N 200.266 2.869 30 40 BFEB in-vitro CC(=O)[C@@H](C#N)c1c(F)cccc1Cl 33610900 DARQRNNQPWWWJT-SSDOTTSWSA-N 211.623 2.675 30 40 BFEB in-vitro O=[N+]([O-])c1ccc(N/N=C2/C[C@H]3CC=C[C@@H]23)cc1 36261361 UMWAQZYZZVEAOD-PCZPHVEJSA-N 243.266 2.959 30 40 BFEB C[C@@H](C=O)c1ccc(OC(F)(F)F)cc1 84192451 GQETUZKVBQSAIA-ZETCQYMHSA-N 218.174 2.888 30 40 BFEB CCC(=O)OCC#Cc1ccc(C)c(C)c1 95633615 HFVZBXHFMCPRBX-UHFFFAOYSA-N 216.280 2.608 30 40 BFEB N#Cc1c(Cl)nc(C2CC2)c2c1CCOC2 96509706 IBJWXOUPNMLCST-UHFFFAOYSA-N 234.686 2.557 30 40 BFEB CC1(C)[C@@H](C/C=N/N=C(\N)S)[C@@H]2CC[C@@H]1C2 101753965 JRBXNCWJGKFUMH-QRTNXLMBSA-N 239.388 2.679 30 40 BFEB C[C@@H](Nc1ccc(C#N)nn1)c1ccccc1 301827987 FXRFPWYZQZLKJW-SNVBAGLBSA-N 224.267 2.521 30 40 BFEB C=CCc1cc(OC)cc(CC=C)c1O 327564 FLSIHRBYEUUNFL-UHFFFAOYSA-N 204.269 2.858 30 40 BFEB C[C@@H](C#N)OC(=O)Nc1cccc(Cl)c1 1655928 PYDFEASVFQEKCV-ZETCQYMHSA-N 224.647 2.801 30 40 BFEB N#CC1=NN[C@H](c2ccc(Cl)cc2)S1 5570106 IRKLXDHDYXUQSP-VIFPVBQESA-N 223.688 2.512 30 40 BFEB N#C[C@@H](Nc1ccccc1)c1ccncc1 6732157 ZQEGWGUGAZWBPY-CYBMUJFWSA-N 209.252 2.758 30 40 BFEB C=CCCC(=O)Nc1cccc(-c2cn[nH]c2)c1 95446754 YGHXPASPQAPCBI-UHFFFAOYSA-N 241.294 2.981 30 40 BFEB N#CCOc1cc(F)c(Br)cc1F 95734203 GAPMBTCSUWWWDI-UHFFFAOYSA-N 248.026 2.630 30 40 BFEB Cc1ncccc1OCc1ccc(C#N)cc1F 96007473 UJILWEBSULAORL-UHFFFAOYSA-N 242.253 2.980 30 40 BFEB C=CCOc1ccc(/C=C2\C(=O)ON=C2C)cc1 208861376 YKJLKVZKIVYZEP-LCYFTJDESA-N 243.262 2.568 30 40 BFEB Cn1cc(C(=O)c2cccc(Cl)c2)cc1C#N 3118840 SGDBTFMQRIOIEI-UHFFFAOYSA-N 244.681 2.781 30 40 BFEB CC(C)(C#CC[C@H]1C[C@@H]2C=C[C@H]1C2)OC[C@@H]1CO1 5379429 QXCQGMCSHFXREC-AJNGGQMLSA-N 246.350 2.786 30 40 BFEB N#CCOc1cccc(Cl)c1Cl 11834411 YRPZBISRQJRUIL-UHFFFAOYSA-N 202.040 2.896 30 40 BFEB in-vitro N#Cc1ccc(Oc2cccc(C#N)c2)nc1 19483299 ULUAHPLBFKOJKY-UHFFFAOYSA-N 221.219 2.617 30 40 BFEB N#CCCn1nnc2cc(Cl)c(Cl)cc21 57835634 HYEJVSAPEWZJJA-UHFFFAOYSA-N 241.081 2.652 30 40 BFEB CCCC[C@H](O)C#Cc1cc(OC)ccc1OC 95632984 ZRHQMFMGTOREQW-ZDUSSCGKSA-N 248.322 2.606 30 40 BFEB C=CCCC(=O)c1cccc(C(=O)OC)c1 148019113 HXCUTXDIOYMIJT-UHFFFAOYSA-N 218.252 2.622 30 40 BFEB CC(C)Cn1nc(C2CCCC2)c(C#N)c1N 225834220 DSGSZGKZFWHDFQ-UHFFFAOYSA-N 232.331 2.651 30 40 BFEB C=C(C)[C@@H]1CC[C@]2(C)[C@H](O)CC[C@](C)(O)[C@@H]2C1 257472327 LGKGTMWCBFNQHP-ZSAUSMIDSA-N 238.371 2.891 30 40 BFEB biogenic,in-vitro CC(C)(C)OC(=O)N1CC[C@@H](C#N)CC1(C)C 260258713 WGHJILRUKIFCNA-SNVBAGLBSA-N 238.331 2.936 30 40 BFEB CC1=C(Cl)C(=O)c2cc(C)ccc2C1=O 1679158 UMTPTNJKTAXBRW-UHFFFAOYSA-N 220.655 2.887 30 40 BFEB C=CCNC(=O)/C(C)=C(/C)c1ccc(F)cc1 2001136 KLVNOTXOIZUNRN-KHPPLWFESA-N 233.286 2.921 30 40 BFEB CCOC(=O)[C@@H]1C(C)=CC(=O)C[C@H]1CC(C)C 4025463 ISHAANVVWNKWPI-DGCLKSJQSA-N 238.327 2.747 30 40 BFEB biogenic O=[N+]([O-])c1ccc(C=[N+]([O-])c2ccccc2)s1 1083148670 VVYSQCRELNPVFC-UHFFFAOYSA-N 248.263 2.917 30 40 BFEB C=CCCC(=O)CC(=O)OCc1ccccc1 1615935 PRKFQOVBXGIFTE-UHFFFAOYSA-N 232.279 2.655 30 40 BFEB N#CCc1cccc(C(=O)c2ccccc2)c1 2507897 MHKMCTCMEDUINO-UHFFFAOYSA-N 221.259 2.984 30 40 BFEB in-vitro C=CCN(CC=C)/C(N)=N/c1ccccc1Cl 5852290 CXPVBSUDMCLRJO-UHFFFAOYSA-N 249.745 2.960 30 40 BFEB N/C(=N\c1ccc([N+](=O)[O-])cc1)c1ccccc1 6095558 KKHKAKFFKIQWLS-UHFFFAOYSA-N 241.250 2.632 30 40 BFEB C=CCNc1nc(N)c(C(=O)C(C)(C)C)s1 6857302 PLQYNFCLDJYGTQ-UHFFFAOYSA-N 239.344 2.552 30 40 BFEB CC1(C)CC(=O)C=C(Nc2ccccc2)O1 40448201 WZHGRSWXEPHXHM-UHFFFAOYSA-N 217.268 2.708 30 40 BFEB CCOC(=O)[C@@H](C#N)CC1CCCCC1 75618252 HKECEGDLGAASSN-LLVKDONJSA-N 209.289 2.660 30 40 BFEB C=CCn1c(C(C)=O)cc(C(=O)O)c1CCC 78404587 PDDGGZYBLYWKAO-UHFFFAOYSA-N 235.283 2.527 30 40 BFEB CC[C@@](C)(O)C#Cc1ccc(C)c(F)c1 95633689 DLYOMFBIKAWFFN-CYBMUJFWSA-N 206.260 2.647 30 40 BFEB CC1=NOC(=O)/C1=C\[C@@H](C)c1ccccc1 96193656 HDBWIOGGQWBADQ-ZPBHHCQCSA-N 215.252 2.649 30 40 BFEB C/C(Cc1cccc(Br)c1)=N\O 100090840 HLMFKWBJPTXJMG-YRNVUSSQSA-N 228.089 2.842 30 40 BFEB CC1=NOC(=O)/C1=C\C=C\c1ccccc1 103756266 JHDGLWZMXLLMLW-VQDMZCOGSA-N 213.236 2.559 30 40 BFEB CCc1c(N)cc(C#N)n1Cc1ccccc1 225853812 GOGFMWWRBAFROB-UHFFFAOYSA-N 225.295 2.553 30 40 BFEB C[C@H]1CC2=C(C(=O)c3ccccc3C2=O)[C@@H](C)O1 1592901 IQCSFOBYTJBFFN-DTWKUNHWSA-N 242.274 2.560 30 40 BFEB CCCCNC(=S)Nc1ccc(CC#N)cc1 7369100 VYUOOGJVDSCASS-UHFFFAOYSA-N 247.367 2.839 30 40 BFEB N#CC1(NC2CCCCC2)Cc2ccccc2C1 37969565 SCMQQPAASSMFBH-UHFFFAOYSA-N 240.350 2.970 30 40 BFEB FC(F)OC(F)(F)[C@H](F)C(F)(F)F 78318458 WSIIYENBWBHASS-PVQJCKRUSA-N 218.043 2.719 30 40 BFEB in-vitro N#Cc1ccc(SC(F)(F)F)nc1 91252729 OLOBGFXLFZZVGW-UHFFFAOYSA-N 204.176 2.565 30 40 BFEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccoc1 620314094 SLLJLRVYHFDOLR-TXEJJXNPSA-N 217.268 2.603 30 40 BFEB C=C(C)Cc1ccccc1C(=O)OCC 2567485 DGRAPEKQGJQTKT-UHFFFAOYSA-N 204.269 2.982 30 40 BFEB O=C[C@@]1(c2ccccc2)CC1(Cl)Cl 4988651 JZEJRRIDBYKNGT-SECBINFHSA-N 215.079 2.701 30 40 BFEB C[C@H]1S/C(=N/c2ccc(Cl)cc2)NC1=O 12417398 CHRMAMFQPOOTCM-ZCFIWIBFSA-N 240.715 2.579 30 40 BFEB COc1ccccc1CNc1ccc(C#N)cn1 19509094 WHWXJKRYFNICRA-UHFFFAOYSA-N 239.278 2.574 30 40 BFEB N#Cc1cccnc1N1CCCc2ccccc2C1 62946021 GMXOUGYWEGRXKY-UHFFFAOYSA-N 249.317 2.906 30 40 BFEB CC(C)c1nc([C@H]2CCCN2CCCC#N)no1 75573287 WUDGYRJJIPXPDW-LLVKDONJSA-N 248.330 2.634 30 40 BFEB O/N=C(\Cl)c1c(F)cccc1Cl 136871312 XQUJVGVNTYDLIG-XFFZJAGNSA-N 208.019 2.854 30 40 BFEB CC[C@H](CC#N)OC(=O)c1cccc(F)c1 188091491 MGIICFWOZRRMMV-LLVKDONJSA-N 221.231 2.675 30 40 BFEB CCc1ccc(C#N)n1Cc1ccco1 225302783 ZASAVVLYPBBVIR-UHFFFAOYSA-N 200.241 2.563 30 40 BFEB C=CCN(Cc1ccccc1)[C@@H]1CCC[C@H]1O 226086248 YLSYXVMTOUIBJH-HUUCEWRRSA-N 231.339 2.588 30 40 BFEB Cc1cccc(C)[n+]1CC(=O)c1ccc(F)cc1 1666169 BGLJZGMMYZPMGG-UHFFFAOYSA-N 244.289 2.613 30 40 BFEB CO/N=C(\C(=O)c1ccccc1)c1ccccc1 1715097 KJMUCDXADVDWBG-PEZBUJJGSA-N 239.274 2.920 30 40 BFEB O=C(/C=C/c1ccoc1)c1ccccc1O 4671325 NOZAIWUVPGUEMV-AATRIKPKSA-N 214.220 2.881 30 40 BFEB O=C1Nc2ccccc2/C1=C/C(=O)c1ccccc1 18117761 HYHFPMWIIOXTBM-RAXLEYEMSA-N 249.269 2.905 30 40 BFEB N#Cc1ccc(OCCOCC(F)(F)F)cc1 34674893 FIPDBDDTWPUDDQ-UHFFFAOYSA-N 245.200 2.516 30 40 BFEB Cc1nc(Br)c(C#N)c(C)c1C 95533162 VONITRMHYCCXBP-UHFFFAOYSA-N 225.089 2.641 30 40 BFEB Cn1cc(/C=C2/CCc3sccc3C2=O)cn1 96403339 WFPRFMKXIDKUFH-POHAHGRESA-N 244.319 2.694 30 40 BFEB CCCCCCCCO[C@@H]1CCS(=O)(=O)C1 97954882 NZIVGIKQNDZMII-GFCCVEGCSA-N 248.388 2.551 30 40 BFEB C=CCN(CC=C)C(=O)c1cccs1 29363 DZTJWVYVBJFHTB-UHFFFAOYSA-N 207.298 2.562 30 40 BFEB Cc1ccc(/C=N/c2cccc(C(N)=O)c2)cc1 561328 CGLKXANEVFUZGE-LICLKQGHSA-N 238.290 2.845 30 40 BFEB C=C(Br)Cc1ccccc1C(=O)O 2579554 WXFHCAXSWLSTLY-UHFFFAOYSA-N 241.084 2.836 30 40 BFEB Cc1cccc[n+]1[C@@H]1CCc2ccccc2C1=O 5734383 IIBNTXNCASOFSC-OAHLLOKOSA-N 238.310 2.653 30 40 BFEB C=C(C)CN(C)CC(=O)Nc1c(C)cccc1C 10275956 YGSLCTYFUZSBLX-UHFFFAOYSA-N 246.354 2.750 30 40 BFEB COc1ccc2c(c1)/C(=N\O)CCCC2 12417601 MMIAGPZIXNLYII-SEYXRHQNSA-N 205.257 2.600 30 40 BFEB CC(C)(O)C#Cc1ccc(Br)s1 16322615 ALVJUWHUFQRDBE-UHFFFAOYSA-N 245.141 2.633 30 40 BFEB C#Cc1cccc(NC(=O)NC2CCCC2)c1 31043870 ZNJIOQUVIQRYFX-UHFFFAOYSA-N 228.295 2.732 30 40 BFEB Cc1cc(/C=N/O)cnc1Oc1ccccc1 72222108 IOMLPGBPONPZIA-OQLLNIDSSA-N 228.251 2.990 30 40 BFEB Cc1cc(C(=O)OCC2(CC#N)CC2)c(C)o1 78949117 QXKIFEUCEGHJOC-UHFFFAOYSA-N 233.267 2.747 30 40 BFEB C[C@@H](N/C=C/C(=O)C(F)(F)F)c1ccccc1 100039377 FVGVHYUYESBBLJ-FCZSHJHJSA-N 243.228 2.982 30 40 BFEB CCCCCCCCC(=O)N1CCNC[C@@H]1C 100414951 AFSSFKRRQZTJFZ-ZDUSSCGKSA-N 240.391 2.557 30 40 BFEB CC1(C)Cc2c(sc(N)c2C#N)CS1 495238 RNOCSHSTTKARTK-UHFFFAOYSA-N 224.354 2.770 30 40 BFEB N#Cc1ccc(N2Cc3ccccc3C2=N)cc1 20078852 OXHONHMXJLMDGR-UHFFFAOYSA-N 233.274 2.904 30 40 BFEB C=C(C)c1nc(C#N)c(NCc2ccncc2)o1 27562467 YKYDDGLVEIOJAA-UHFFFAOYSA-N 240.266 2.586 30 40 BFEB N#Cc1cnn(-c2ccccc2)c1Br 39349054 JIMBDAOQQBVANQ-UHFFFAOYSA-N 248.083 2.506 30 40 BFEB N#C[C@H](C=O)c1ccc(Cl)c(Cl)c1 49815565 VLVPUPYAEYXXJO-SSDOTTSWSA-N 214.051 2.799 30 40 BFEB N#CCN1CCC[C@H](c2ccccc2)CC1 66898239 PIYYNVXIFAWEAI-AWEZNQCLSA-N 214.312 2.780 30 40 BFEB C[N+](C)(C)/N=C\C1=C(Cl)CCCC1 104126341 ALZPHVFXZWLEPM-WQLSENKSSA-N 201.721 2.745 30 40 BFEB CC1(C)C[C@@H](O[C@@H]2CCCCO2)[C@H]2O[C@]2(C)C1 104208920 FZQIFZSZUOJRQD-HKUMRIAESA-N 240.343 2.876 30 40 BFEB N#Cc1ccccc1NC(=O)/C=C/c1ccco1 568648 VBWGOZLVSDRYTG-BQYQJAHWSA-N 238.246 2.803 30 40 BFEB C(=N\OCc1ccccc1)\c1ccncc1 4577906 DUCOZYAQYJSURU-GDNBJRDFSA-N 212.252 2.632 30 40 BFEB C=CCc1ccccc1N[C@H](C)C(=O)OCC 5499697 RNBKSEPMCDCHAT-LLVKDONJSA-N 233.311 2.779 30 40 BFEB O=C1/C(=N\O)Sc2ccc3ccccc3c21 5731736 HJOKREAXQVIWPY-OUKQBFOZSA-N 229.260 2.916 30 40 BFEB C=CCOc1ccc(CNCC(C)C)cc1 6306867 WWPMMILYSSZVRN-UHFFFAOYSA-N 219.328 2.997 30 40 BFEB C[C@H]1CCC[C@@H](C)N1/N=C/c1ccncc1 12432954 SALUSPCEBAITJQ-DGOSSHJLSA-N 217.316 2.678 30 40 BFEB CC(=O)C[C@@](F)(OC(F)(F)F)C(F)(F)F 16158495 HBCCWHHGCKXNAB-SCSAIBSYSA-N 242.090 2.730 30 40 BFEB Cc1nc(Cl)c(C#N)cc1-c1ccncc1 20358053 GIBXLQVADBWCND-UHFFFAOYSA-N 229.670 2.977 30 40 BFEB CC[C@]1(c2cccc(Cl)c2)O[C@H]1C(=O)OC 85657603 HGCIZFPBWACOCN-CMPLNLGQSA-N 240.686 2.517 30 40 BFEB CC(C)c1ncccc1B1OC(C)(C)C(C)(C)O1 206115531 XKZMWHQOYHEADN-UHFFFAOYSA-N 247.147 2.504 30 40 BFEB CCOC(=O)[C@H]1O[C@]1(C)c1ccc(Cl)cc1 1696024 DDQDBXJPGCKWGR-ZYHUDNBSSA-N 240.686 2.517 30 40 BFEB N#CC1(O[C@H]2CCCCO2)Cc2ccccc2C1 1721053 DURQZMZVCBQYOT-AWEZNQCLSA-N 243.306 2.591 30 40 BFEB C/C=C\CC1=C(O)C(=O)c2ccccc2C1=O 4879010 VKFLFQDQIQVZMK-IHWYPQMZSA-N 228.247 2.844 30 40 BFEB CC1(C)CCC[C@@](C)(C#CCN2CCCC2)O1 6668120 OHBXFAJTBJTMHD-HNNXBMFYSA-N 235.371 2.823 30 40 BFEB N#CCN1CC[C@H](CSc2ccccc2)C1 75964248 AFSCKHNVQPDOPL-LBPRGKRZSA-N 232.352 2.624 30 40 BFEB C=C(Br)Cc1cccc(O)c1 95738980 VUBJDCFGZTXWTJ-UHFFFAOYSA-N 213.074 2.843 30 40 BFEB Cc1ccc(C=O)n1Cc1ccccc1C#N 226032699 ANMBMPPRSCKTTI-UHFFFAOYSA-N 224.263 2.529 30 40 BFEB O=C1c2ccccc2CN1N=Cc1ccccc1 256024949 KHKPTTXPJZBPAW-UHFFFAOYSA-N 236.274 2.677 30 40 BFEB CCOC(=O)[C@@](C#N)(CC)C(C)=C1CC1 1716681 QCDDSRISLJCDRZ-GFCCVEGCSA-N 207.273 2.580 30 40 BFEB Cc1cc(Cl)ccc1[C@H](S)C(=O)O 8581319 IMQXZNCGDOEWNI-QMMMGPOBSA-N 216.689 2.704 30 40 BFEB N#CCN(C(=O)CCCc1ccccc1)C1CC1 58390569 RCIFFZAYIHXXNK-UHFFFAOYSA-N 242.322 2.524 30 40 BFEB C=CCCCn1c(=O)ccc2ccccc21 72293918 INOLAYZEPLFPLI-UHFFFAOYSA-N 213.280 2.968 30 40 BFEB Cn1cc(C#N)c2cc(Br)ccc21 82606202 UWJBLNOJXLOBQD-UHFFFAOYSA-N 235.084 2.812 30 40 BFEB N#Cc1cc(C=O)ccc1OCc1ccccc1 142740278 KITJQIJSYISJGS-UHFFFAOYSA-N 237.258 2.950 30 40 BFEB CCC(=O)N(C)/C=C1\Sc2ccccc2C1=O 12341256 GRUBXNOZRDXRIR-FLIBITNWSA-N 247.319 2.685 30 40 BFEB CCC/C(=N/OC(=O)NC)c1ccccc1 17422040 RWXYDCWXVLRNEF-KAMYIIQDSA-N 220.272 2.547 30 40 BFEB C=CCn1c(C)nnc1SCC(C)C 20425322 PJOZEZCEAUVSEM-UHFFFAOYSA-N 211.334 2.521 30 40 BFEB CN(C)[C@@H](C#N)c1ccc(Cl)c(F)c1 43391422 SWWAMZQEFPRSJP-JTQLQIEISA-N 212.655 2.605 30 40 BFEB Cc1ccc(C(=O)/C=C/N(C)C)c(C)c1 44676163 BTYWJYPFUKTSQM-BQYQJAHWSA-N 203.285 2.561 30 40 BFEB C[C@H](C#N)C(=O)Nc1ccc(Cl)c(F)c1 44825056 MYNICGVHEJHOBY-ZCFIWIBFSA-N 226.638 2.577 30 40 BFEB CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C#N)C1 98072842 KODINHTWTSHDJW-VHSXEESVSA-N 224.304 2.593 30 40 BFEB Nc1ccccc1/N=C\c1cccc([N+](=O)[O-])c1 104115622 OOKWLKHNHWCWLL-DHDCSXOGSA-N 241.250 2.928 30 40 BFEB C=C(Cl)Cn1ccnc1[C@@H](O)c1ccccc1 154773834 DHXYTZSBADOZAN-LBPRGKRZSA-N 248.713 2.717 30 40 BFEB FC(F)(F)c1nc(CS)c2ccccn12 225746106 DVDQLUDIQCQAPH-UHFFFAOYSA-N 232.230 2.783 30 40 BFEB C[C@@H]1C[C@@H](C)CN([C@@H]2/C(=N/O)[C@H]3CC[C@H]2C3)C1 257345250 APPXPFIAWDFJGB-UUIHDDBISA-N 236.359 2.593 30 40 BFEB CCCCC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 1875774 RRQJBUVUWJZRIP-JTQLQIEISA-N 241.294 2.929 30 40 BFEB CCOc1ccc(/N=C2\NCCCS2)cc1 3330664 GUTMGLXKZQVYEY-UHFFFAOYSA-N 236.340 2.799 30 40 BFEB in-vitro CCC[C@@H](C)Nc1nnc(C)c(C)c1C#N 40217717 BQOHGWRFUZBSHA-MRVPVSSYSA-N 218.304 2.566 30 40 BFEB C[C@H](NC[C@H](O)C(C)(C)C)c1ccc(C#N)cc1 95987903 BDPMHTKXLXABBQ-FZMZJTMJSA-N 246.354 2.616 30 40 BFEB CC(C)(C)OC(=O)NCc1csc(C#N)c1 216014180 KEAYACZTEOYCBD-UHFFFAOYSA-N 238.312 2.644 30 40 BFEB C=CC(C)(C)S(=O)(=O)c1ccc(C)cc1 478204 TVIUAEWQBVNREF-UHFFFAOYSA-N 224.325 2.733 30 40 BFEB Cc1ccc(C(C)C)c(OC[C@@H]2CO2)c1 9256943 GPKIXZRJUHCCKX-NSHDSACASA-N 206.285 2.896 30 40 BFEB CCNc1nc(SCC#N)nc2ccccc12 13985076 DYEAANJLKKHJSN-UHFFFAOYSA-N 244.323 2.677 30 40 BFEB O=CCCc1cccc(Br)c1 19682856 ZULVLUNCIBAQRZ-UHFFFAOYSA-N 213.074 2.581 30 40 BFEB in-vitro Cc1nc2[nH]cc(C#N)c2cc1Br 95919826 VDHQBMFQILZELO-UHFFFAOYSA-N 236.072 2.506 30 40 BFEB COc1ccccc1/C=N\c1ccccn1 104205296 DYJUEROOFOFUTD-GDNBJRDFSA-N 212.252 2.841 30 40 BFEB Cc1cc2[nH]nc(C#N)c2cc1Br 307077957 MLXJBUAXOXNMCK-UHFFFAOYSA-N 236.072 2.506 30 40 BFEB O=C(CS)Nc1cc(Cl)cc(Cl)c1 152756 VOGOHSQXQBVMBT-UHFFFAOYSA-N 236.123 2.862 30 40 BFEB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C#N)cc1 3429856 UQIUFTWAZPUOHI-RISCZKNCSA-N 242.322 2.867 30 40 BFEB COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 5164340 BCSGYHXIQQFWLL-JYRVWZFOSA-N 242.230 2.904 30 40 BFEB N#Cc1cccc(CN2CCCCC2)c1 19422162 KLEDWGWXCBQZJJ-UHFFFAOYSA-N 200.285 2.544 30 40 BFEB COc1cccc(CNc2ncccc2C#N)c1 19797688 ULLDXGYDRFKQES-UHFFFAOYSA-N 239.278 2.574 30 40 BFEB C[C@H](O)C#Cc1cc(Cl)cc(Cl)c1 22203356 BJTWTEIEJRIJHH-ZETCQYMHSA-N 215.079 2.726 30 40 BFEB CN(Cc1ccccc1)[C@H]1CCC/C1=N/O 100986891 JBVCHBVTPISFPV-BSHRGCEOSA-N 218.300 2.501 30 40 BFEB O=C(/C=C(\O)C(F)F)c1ccc(F)cc1 101372120 CCZPHYNMHWWRLG-UITAMQMPSA-N 216.158 2.715 30 40 BFEB N#Cc1c(Cl)ccc(Br)c1N 131878452 HDLMSAYOIVVZIU-UHFFFAOYSA-N 231.480 2.556 30 40 BFEB Oc1ccc(/C=N/c2ccc(F)cc2)c(O)c1 310796 BUAFEGWQPALQRE-OVCLIPMQSA-N 231.226 2.988 30 40 BFEB C=C(C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 518892 JTIYAWXGQDYYHK-UHFFFAOYSA-N 243.262 2.616 30 40 BFEB biogenic CN(C)c1cccc2c(C#N)ccc(N(C)C)c12 3204609 ZZJPUYGHSRTAPO-UHFFFAOYSA-N 239.322 2.843 30 40 BFEB CCOC(=O)[C@H](C#N)[C@@H]1CCC[C@H](C)CC1 4691797 MLKBVLYMGYYCCS-QJPTWQEYSA-N 223.316 2.906 30 40 BFEB N#CC1(C(=O)Nc2ccc(F)cc2)CCCC1 7334594 YIVFBHKBDDHGMP-UHFFFAOYSA-N 232.258 2.848 30 40 BFEB CCOC(=O)[C@H](C#N)C1(C)CCCCC1 32175700 ROHCCJIABRKISQ-JTQLQIEISA-N 209.289 2.660 30 40 BFEB in-vitro Cc1cccc(C)c1CN(CC#N)C1CC1 96414837 BTLAKJKQVVQLCQ-UHFFFAOYSA-N 214.312 2.791 30 40 BFEB C[C@H](O)[C@@H](C)SCc1cccc(C#N)c1 96430290 QIDFWXTZGNZNEF-VHSXEESVSA-N 221.325 2.561 30 40 BFEB CC#CCSc1ncccc1Br 306218382 ROTPQQDKJKZFDU-UHFFFAOYSA-N 242.141 2.960 30 40 BFEB CC1=NN=C(C)C1=NNc1cccc(Cl)c1 6556424 DVDFSXKPIQPCEO-UHFFFAOYSA-N 234.690 2.958 30 40 BFEB C=CCNC(=O)c1oc2ccccc2c1C 15424806 SEQNUFPILRWWCN-UHFFFAOYSA-N 215.252 2.657 30 40 BFEB N#C[C@@H]1CCC[C@@H]1NCC1(C2CC2)CCC1 95462860 VVRJSYSEOLGPFP-AAEUAGOBSA-N 218.344 2.849 30 40 BFEB C#CCN[C@H](c1ccc(OC)cc1)C(F)(F)F 97056141 SWNBLVPXLDAHDO-LLVKDONJSA-N 243.228 2.521 30 40 BFEB CC(C)c1ccc(C(=O)/C=C(\O)C(=O)O)cc1 100487270 UEYHNQAXISOQJF-GHXNOFRVSA-N 234.251 2.519 30 40 BFEB C[C@H]1Cc2c(C#N)ccc(Br)c2O1 616567672 OGXKIYSJXLYBEH-LURJTMIESA-N 238.084 2.644 30 40 BFEB CCNc1ccc(-c2cc(C#N)on2)cc1 508211 MQHIVYJYLWLZPL-UHFFFAOYSA-N 213.240 2.645 30 40 BFEB C=CCNCCCCOc1ccccc1 4568368 WPQZMQVQSKKLIF-UHFFFAOYSA-N 205.301 2.621 30 40 BFEB CCOc1c(Cl)cc(/C=N\O)cc1OC 12732913 DXECFQXJPSKTDU-SDQBBNPISA-N 229.663 2.555 30 40 BFEB Cc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1C#N 16125800 QLSYNHQIVVXFDV-UHFFFAOYSA-N 246.144 2.674 30 40 BFEB Cc1cc(NCc2ccccc2)ncc1C#N 72223362 VJIKBSOBHARYRK-UHFFFAOYSA-N 223.279 2.874 30 40 BFEB N#CC1(C(=O)c2cccc(Cl)c2)CCOCC1 85395797 DIWNZWDSWPOSFJ-UHFFFAOYSA-N 249.697 2.843 30 40 BFEB CC(C)c1nc(Cl)c(C#N)c2c1COCC2 96509697 RDRXULFONLLSGI-UHFFFAOYSA-N 236.702 2.803 30 40 BFEB C=C(C)CSC(=S)N1CCCC1 97603794 QVXHSOPGHWRMCJ-UHFFFAOYSA-N 201.360 2.676 30 40 BFEB O=C(/C=C\c1ccccc1)CC(=O)C(F)(F)F 100060577 CSOPVKUECMSWBR-SREVYHEPSA-N 242.196 2.790 30 40 BFEB CC(=O)/C=C1/N(C)c2ccccc2C1(C)C 87095 OASCYHRIQHKJKX-UKTHLTGXSA-N 215.296 2.887 30 40 BFEB O=C1C[C@@H]2c3ccccc3CCN2C2=C1CCC2 1582116 WQRMZIBMSVMMID-OAHLLOKOSA-N 239.318 2.997 30 40 BFEB O/N=C/c1ccc(OCc2ccccc2)cc1O 5603354 WFPFGZUSSLFFPB-OQLLNIDSSA-N 243.262 2.779 30 40 BFEB C=CCc1cc(C(=O)N2CCCC2)ccc1OC 14401092 OKCQJAXERRTJKN-UHFFFAOYSA-N 245.322 2.660 30 40 BFEB CN(C)/C=C/C=C/C(=O)c1ccccc1 71789902 HVBROFAHKRAJRB-JMQWPVDRSA-N 201.269 2.501 30 40 BFEB C=C[C@@H](N)c1cccc(C(F)(F)F)c1 83945026 ABWUJOISVMJGJB-SECBINFHSA-N 201.191 2.891 30 40 BFEB in-vitro CC(C)c1c(Br)cnc(O)c1C#N 256053385 RFXHHMMJIWBOAS-UHFFFAOYSA-N 241.088 2.545 30 40 BFEB CC1(C)OB(C2CC(F)(F)C2)OC1(C)C 585670526 HLEWVHJFQCEWNE-UHFFFAOYSA-N 218.052 2.878 30 40 BFEB NC(=O)c1ccc(/N=C/c2ccc(F)cc2)cc1 358226 HIAQYTGADHBGJW-RQZCQDPDSA-N 242.253 2.675 30 40 BFEB COc1ccc(C(C)=O)c2cc(C#N)oc12 1403889 JRRZDAQPIHUMAU-UHFFFAOYSA-N 215.208 2.516 30 40 BFEB C=CC[C@H]1Cc2c(N)cccc2[C@H](CC=C)N1 19973748 BTXLHLDPUHBVCS-NHYWBVRUSA-N 228.339 2.976 30 40 BFEB N#CC[C@H](C#N)c1cccc(Br)c1 36108831 CQFUVYPQEKFWNW-SECBINFHSA-N 235.084 2.970 30 40 BFEB N#Cc1ccc(NC(=O)/C=C/c2cccnc2)cc1 36395260 WNSTZRRAJYWSIR-VMPITWQZSA-N 249.273 2.605 30 40 BFEB CCC[C@@H](NCC#N)c1ccc(F)cc1F 96492303 JCPULABETPVDQW-GFCCVEGCSA-N 224.254 2.919 30 40 BFEB CN1CCCN(CC#N)c2cc(Cl)ccc21 98013288 MDVXSHYHENYIMN-UHFFFAOYSA-N 235.718 2.510 30 40 BFEB C=C1C(=O)O[C@H]2/C=C(\C)[C@@H](O)C/C=C(\C)CC[C@@H]12 100392380 XQVSREKNQZKAKU-QDDWAVGJSA-N 248.322 2.522 30 40 BFEB biogenic,in-vitro CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](S)C1 218744956 PCDOFJVVBXRUHP-DTWKUNHWSA-N 231.361 2.752 30 40 BFEB Cc1ccnc(Oc2ccc(C#N)cc2F)n1 301681616 GBPMOYHAXUBTKY-UHFFFAOYSA-N 229.214 2.588 30 40 BFEB CCCOc1cccc(/C=C2/C(=O)ON=C2C)c1 409081482 PJIIPYRAINVEQC-UKTHLTGXSA-N 245.278 2.792 30 40 BFEB N#Cc1cccc(C(=O)Nc2ccc(F)cc2)c1 3518698 PSWNDRZXCRNMRS-UHFFFAOYSA-N 240.237 2.950 30 40 BFEB C[C@@H](C#N)Sc1nnc(-c2ccc(F)cc2)o1 4548530 IHJQHEMQYGCENK-ZETCQYMHSA-N 249.270 2.880 30 40 BFEB CN(C)[C@@H](C#N)c1cccc(Br)c1 19934789 FRKSBMFKFOUCES-JTQLQIEISA-N 239.116 2.575 30 40 BFEB C=CCOC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 58800697 JHEUWQVGVCRCJX-UHFFFAOYSA-N 241.630 2.591 30 40 BFEB CCOc1c(Cl)cc(C#N)cc1[N+](=O)[O-] 216942900 GSESYQFJEGDMKD-UHFFFAOYSA-N 226.619 2.519 30 40 BFEB C=C(Br)Cc1ccc(C(=O)O)cc1 2579570 UJPJCPKHYSTVQJ-UHFFFAOYSA-N 241.084 2.836 30 40 BFEB N#C[C@H](C(=O)c1ccccn1)c1ccccc1 3844312 HJIUXGYRVYCLHJ-LBPRGKRZSA-N 222.247 2.572 30 40 BFEB biogenic C=C1CCC[C@]2(C)CC[C@H]([C@](C)(O)CO)C[C@@H]12 15208652 FUUSVPZQXDAJBK-BYNSBNAKSA-N 238.371 2.892 30 40 BFEB biogenic,in-vitro C=C(C)C/N=C/c1ccc(OC)c(OC)c1 18069308 DJHSYQDIGJJXKX-NTEUORMPSA-N 219.284 2.699 30 40 BFEB CCN(CC)[C@@H](C#N)c1ccc(C)cc1 19934154 KTJHGWWXEMJYJF-ZDUSSCGKSA-N 202.301 2.902 30 40 BFEB C=CCNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 20105653 NNNDJTXHWINGSG-CYBMUJFWSA-N 247.338 2.681 30 40 BFEB O=C(C=C(S)S)c1cccs1 104168173 GSLJWPIRMSMYME-UHFFFAOYSA-N 202.325 2.632 30 40 BFEB CC(C)=CC(=O)c1cccc(N(C)C)c1 161095845 YSAWVYFRQYAPMA-UHFFFAOYSA-N 203.285 2.902 30 40 BFEB C[C@@H]1CCCC[C@@H]1Oc1cncc(C#N)c1 242648350 QTMMYRLZPKKTIZ-MFKMUULPSA-N 216.284 2.911 30 40 BFEB O/N=C(\Cl)c1ccc2ncsc2c1 514252404 FDBBMGSJHVPJBB-FLIBITNWSA-N 212.661 2.671 30 40 BFEB N#CC1(c2ccc3c[nH]nc3c2)CC2(CC2)C1 1776011363 OATRFVDTOQESGY-UHFFFAOYSA-N 223.279 2.898 30 40 BFEB CC(=O)C(=CNc1ccc(Cl)cc1)C(C)=O 4267327 IDZSBUAVLTVTFV-UHFFFAOYSA-N 237.686 2.814 30 40 BFEB biogenic C/C(=N\Nc1ccccn1)c1ccc(C#N)cc1 5694580 LOODFXXGLJVXQT-GZTJUZNOSA-N 236.278 2.789 30 40 BFEB C#CCNC(=O)c1cc2c(s1)CCCCCC2 36620264 GIZAXSBDFNBDFT-UHFFFAOYSA-N 247.363 2.770 30 40 BFEB CCCCC[C@H](C)CC(=O)NC1(C#N)CC1 96431071 LPKIXWYZVWCBGE-NSHDSACASA-N 222.332 2.765 30 40 BFEB C=C1C[C@@H](C)O[C@@H](C(C)(C)CN(C)C)C1 3152177 KMOSNQZZROCJCC-VXGBXAGGSA-N 211.349 2.698 30 40 BFEB biogenic CC1(C)N/C(=N/c2ccccc2)SC1=N 4931673 ISFHNVNBVBJOCK-UHFFFAOYSA-N 219.313 2.766 30 40 BFEB C=C(C)CC#CC(C)(C)OC[C@@H]1CS1 5382893 KIEWNPSXHYYAIS-LLVKDONJSA-N 210.342 2.867 30 40 BFEB CCN(C[C@@H](C)C#N)C(=O)CC1CCCC1 42296129 DPFYOMLICICFMF-NSHDSACASA-N 222.332 2.575 30 40 BFEB C=CCN(C)[C@H](C)c1ccccc1OC 47886949 HIMKOFKWRVLYEQ-LLVKDONJSA-N 205.301 2.874 30 40 BFEB CCOc1ccc(C#CC2(O)CCCC2)cc1 95632082 MPTVSUOPBGZCSN-UHFFFAOYSA-N 230.307 2.742 30 40 BFEB C=C[C@H](CC)OC(=O)c1cncc(C)c1 181210933 GEZSBHOHIWHILI-LLVKDONJSA-N 205.257 2.511 30 40 BFEB N#Cc1cc(N)c(Cl)n1Cc1ccccc1F 225890271 VWMQTWTVQURQGO-UHFFFAOYSA-N 249.676 2.783 30 40 BFEB CC(C)(C)C1=CC(=O)[C@@](C#N)(C(C)(C)C)C1=O 1763074 YVGKZQRYZABJGL-CQSZACIVSA-N 233.311 2.667 30 40 BFEB CC(=O)/C=C(/NCc1ccccc1)C(F)(F)F 5072132 MDWBFMBOJFXZQA-YRNVUSSQSA-N 243.228 2.811 30 40 BFEB C=CCNC(=S)N[C@@H]1CCCc2ccccc21 6262043 SHQNXVXQMSCHPY-CYBMUJFWSA-N 246.379 2.714 30 40 BFEB CCCCCCCCNC(=O)c1cnsn1 8430352 SJCVJVMPZCPLGS-UHFFFAOYSA-N 241.360 2.628 30 40 BFEB Cc1oc(-c2cccs2)nc1CC#N 11585030 KOYCQWXFCNCUSM-UHFFFAOYSA-N 204.254 2.778 30 40 BFEB in-vitro Cc1cccc(C)c1/N=C(S)/N=C/N(C)C 18180541 RCEUKHCFPMGACT-MDWZMJQESA-N 235.356 2.811 30 40 BFEB C=C(C)CC(O)(C(F)(F)F)C(F)(F)F 39225037 HCZZTHXUEUMUAF-UHFFFAOYSA-N 222.128 2.808 30 40 BFEB C=CCN(CC=C)c1ccc(N)c(C)c1 42783241 FUACMDSATPQBDL-UHFFFAOYSA-N 202.301 2.756 30 40 BFEB CC(C)[C@H](c1ccccc1)N(C)CC#N 71903169 GOCKLLNAZBMHOH-CYBMUJFWSA-N 202.301 2.839 30 40 BFEB C=CCCC[C@H](C)NC(=O)c1ccc(O)c(O)c1 97235379 LCAHPBSDHQYZMH-JTQLQIEISA-N 249.310 2.572 30 40 BFEB C=C1OC(=O)O[C@]1(C)[C@H]1C[C@H]2C=C[C@H]1C2 100016613 WRUOIXMDVJRLKX-GMOBBJLQSA-N 206.241 2.638 30 40 BFEB CCCCCCCCCOCC(=O)O 1566428 NCGHBHDXERSOQZ-UHFFFAOYSA-N 202.294 2.838 30 40 BFEB N#CC1(Nc2ccc([N+](=O)[O-])cc2)CCCC1 4523022 JPUYTUMPQANAIK-UHFFFAOYSA-N 231.255 2.843 30 40 BFEB CC(C)(C)/N=C1\SC[C@@](C)(/C=N/O)S1 13116113 VZXPRSDUKJLRAH-QKUGJZLMSA-N 232.374 2.840 30 40 BFEB C=CCOC(C(F)(F)F)C(F)(F)F 64370231 VDCRSUUXCAHZSF-UHFFFAOYSA-N 208.101 2.682 30 40 BFEB C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CC#N 76811586 NOJHQCNRNULPKZ-ZYHUDNBSSA-N 218.275 2.527 30 40 BFEB O=C[C@H]1C[C@@H]1c1cccc(Br)c1 96530095 PMWAAQNRSYMNAH-PSASIEDQSA-N 225.085 2.752 30 40 BFEB C=CCn1c(C#N)cc(N)c1Cc1ccccc1 225853416 DRELNNZKDQUNPK-UHFFFAOYSA-N 237.306 2.719 30 40 BFEB CCO/N=C(\C)c1ccc(NC(=O)C2CC2)cc1 230045509 RWLWSQQWYYGALA-MHWRWJLKSA-N 246.310 2.796 30 40 BFEB c1ccc(C2OCC3(CC[C@H]4O[C@@H]4C3)CO2)cc1 3138904 ALNBOXIUYVENNJ-LMRVLLHPSA-N 246.306 2.670 30 40 BFEB C=C(CO)[C@@H]1CC[C@]2(C)CCC[C@](C)(O)[C@@H]2C1 15208886 RMARCXQAHOJNRB-KBXIAJHMSA-N 238.371 2.892 30 40 BFEB biogenic,in-vitro COc1ccc2ccccc2c1/C=N/O 18116386 VHXRWOTZOBRMJG-MDWZMJQESA-N 201.225 2.657 30 40 BFEB in-vitro CC(=O)/C(=C/N(C)C)c1ccc(Cl)cc1 35684726 NQEZMSRBECRTMN-WQLSENKSSA-N 223.703 2.832 30 40 BFEB in-vitro Cc1nn(CCCC(C)(C)C#N)c(C)c1C=O 87600278 XJJXKCIHIFIVAV-UHFFFAOYSA-N 233.315 2.642 30 40 BFEB C=CCNCc1cnc2ccsc2c1 97103942 MYCWYHYFLKMIID-UHFFFAOYSA-N 204.298 2.572 30 40 BFEB C=CC[C@H](OC(=O)CC)c1ccc2c(c1)OCO2 1600654 VGGOXZMSVPZWAT-NSHDSACASA-N 248.278 2.986 30 40 BFEB CCOC(=O)C/C(=C\c1ccccc1)C(C)=O 4692483 YYKQKIPQXPEYPP-UKTHLTGXSA-N 232.279 2.612 30 40 BFEB Fc1cccc(N/N=C/c2ccncc2)c1 6241083 QZVNQJCMGZEVAU-OQLLNIDSSA-N 215.231 2.667 30 40 BFEB CC[C@H]1S/C(=N\c2cccc(C)c2C)NC1=O 6870758 VVNZJPUCSXBNNO-LLVKDONJSA-N 248.351 2.933 30 40 BFEB Cc1nc2ccccc2n1C[C@@H](C#N)CCC#N 32514633 PFGADPWOWDFCAE-GFCCVEGCSA-N 238.294 2.788 30 40 BFEB CCc1ccc(C(=O)N[C@](C)(C#N)CC)cc1 40357894 VFNKJTXHGDOFFN-AWEZNQCLSA-N 230.311 2.671 30 40 BFEB CC(C)[C@@H]1CN(c2ncccc2C#N)CCS1 78578819 LVSHNXCNLZHKOT-LBPRGKRZSA-N 247.367 2.531 30 40 BFEB C=CCCC(=O)c1cc(OC)ccc1OC 168414750 HPZNGNKRDYGTEQ-UHFFFAOYSA-N 220.268 2.853 30 40 BFEB CCn1nc(C#N)c2cc(Cl)ccc21 575441175 RJIQPLQJKHAEBC-UHFFFAOYSA-N 205.648 2.581 30 40 BFEB COc1ccc([C@@H]2C[C@H]2/C(C)=N\O)cc1 5382202 ZGVGXXXPBAOTHH-JTXXYJNRSA-N 205.257 2.649 30 40 BFEB N#CCOc1ccc(Cl)c2cccnc12 19507245 GVNKDIIUOKNRIO-UHFFFAOYSA-N 218.643 2.791 30 40 BFEB C=C(C)CN(CC)C(=O)Cc1cccc(OC)c1 57157961 UNCVHZKMIBHFMG-UHFFFAOYSA-N 247.338 2.662 30 40 BFEB Cc1ccc(Br)c(C#N)c1F 75847048 YDTVNJZLFQHHMQ-UHFFFAOYSA-N 214.037 2.768 30 40 BFEB CCCCn1c(C(C)=O)cc(C#N)c1C 78404459 SSPITHIIUBYIAS-UHFFFAOYSA-N 204.273 2.671 30 40 BFEB Cn1nccc1CNc1c(Cl)cccc1C#N 91428344 UCHVDFZFSSYQAY-UHFFFAOYSA-N 246.701 2.557 30 40 BFEB COc1ccc(/C=C/C(=O)CCNC(C)C)cc1 97447222 GYUDKKPCZCUVPW-QPJJXVBHSA-N 247.338 2.666 30 40 BFEB CC(C)(C)C(=O)/C=C/Nc1ccccc1C(=O)O 409180618 YDUPSUVJOWOCTQ-CMDGGOBGSA-N 247.294 2.926 30 40 BFEB CCOC(=O)[C@@H]1CC/C(=C\c2ccccc2)C1=O 4660706 KHALZHFCWRDVCU-RSKUSDAESA-N 244.290 2.612 30 40 BFEB O=[N+]([O-])c1ccc(SCCS)cc1 18195197 MKLWZRPRVQRYSS-UHFFFAOYSA-N 215.299 2.617 30 40 BFEB C[C@@H]1CCC[C@H](Nc2ccc(C#N)cn2)C1 37251664 AHQYOMGHFQAWQW-PWSUYJOCSA-N 215.300 2.944 30 40 BFEB CCc1nc(C#N)c(NCc2cccs2)o1 72427568 BRYIOQGVUHYNDO-UHFFFAOYSA-N 233.296 2.782 30 40 BFEB CCCCCCCCCN1C(=O)C=CC1=O 1542861 UNJAMUMWPRRGHF-UHFFFAOYSA-N 223.316 2.662 30 40 BFEB CCCc1cccc[n+]1CC(=O)c1ccccc1 1598311 UCZHWEOGZODRHR-UHFFFAOYSA-N 240.326 2.810 30 40 BFEB C(=N\N1CCCCC1)\c1ccc2c(c1)CCC2 4582363 FNOORQYQLPKKLV-VBKFSLOCSA-N 228.339 2.995 30 40 BFEB O/N=C(\c1ccccc1)C1(O)CCCCC1 5899107 VXLCGQUVQKVBJM-WYMLVPIESA-N 219.284 2.560 30 40 BFEB CC(C)(C)OC(=O)N[C@H](C#N)c1cccs1 12357262 OUQMWXLGXNRQPW-MRVPVSSYSA-N 238.312 2.837 30 40 BFEB O=[N+]([O-])c1ccc(/C=N\Nc2ccccc2)o1 17313377 HUZCMQIIFYRKFJ-WQLSENKSSA-N 231.211 2.634 30 40 BFEB Oc1ccccc1/N=C/c1ccc2c(c1)OCO2 17967754 BQRPHDGQSWTHRV-OVCLIPMQSA-N 241.246 2.872 30 40 BFEB C=CCN(CC=C)Cc1cccc(OC)c1OC 20131159 YTQPXYQTMCFFQI-UHFFFAOYSA-N 247.338 2.878 30 40 BFEB N#Cc1ccc(-c2ccncc2)nc1Cl 38343280 QRWFWPXMCJLDAB-UHFFFAOYSA-N 215.643 2.669 30 40 BFEB in-vitro CCO/C=C/C(=O)c1cc(F)ccc1F 82545886 IETBWDSLQNBVNK-AATRIKPKSA-N 212.195 2.698 30 40 BFEB COc1ccc(Cl)cc1C#C[C@H](O)C(C)C 95631555 SKBZWVCAZSXQLZ-LBPRGKRZSA-N 238.714 2.717 30 40 BFEB CC[C@H](NCC#N)c1ccccc1OC(F)F 195549626 YTDUSMPTEREZHU-JTQLQIEISA-N 240.253 2.852 30 40 BFEB Cc1cc(C(=O)O)ccc1-c1ccc(C=NO)o1 254383770 LAABNBXOMVHIJW-UHFFFAOYSA-N 245.234 2.761 30 40 BFEB C=CCN(CC=C)Cc1ccc(OC)cc1 4679155 INIPIJRSVMLLPR-UHFFFAOYSA-N 217.312 2.869 30 40 BFEB Cc1cc(N(C)C)c(C#[N+][O-])c(C)c1C#[N+][O-] 4826296 ZJGVRTNYOSOCIQ-UHFFFAOYSA-N 231.255 2.727 30 40 BFEB O/N=C1\CCCCCC[C@@H]1n1ccnc1 16546013 UGVDLFWLDHTMRZ-CDDSVFCYSA-N 207.277 2.609 30 40 BFEB Cc1ccc(OCn2nc(C)c(C#N)c2C)cc1 62701574 HIONGXHPEDFNPD-UHFFFAOYSA-N 241.294 2.717 30 40 BFEB C[C@H]1CC[C@@H]1COc1ccc(C#N)cc1 96526454 JSQIEDNLUQCLIA-CMPLNLGQSA-N 201.269 2.983 30 40 BFEB O=CCc1ccc(Br)cc1Cl 113922161 DSUMNUVLXJESFO-UHFFFAOYSA-N 233.492 2.844 30 40 BFEB CCOc1ccccc1-n1cccc1C#N 223736708 VEMSIEGFRKUXHK-UHFFFAOYSA-N 212.252 2.748 30 40 BFEB CCOc1ccc([C@H](C#N)C(C)=O)cc1OCC 14987955 GFTYJJTVGZKMHE-GFCCVEGCSA-N 247.294 2.680 30 40 BFEB C[C@H]1CC/C(=N\[N+](C)(C)C)c2ccccc21 35999588 YITGCHRPMDLEQI-AKCBPTIMSA-N 217.336 2.994 30 40 BFEB COc1cc(/C(C)=N/O)ccc1OCC(F)F 37756073 REMMIJNNJKKAFI-VGOFMYFVSA-N 245.225 2.537 30 40 BFEB C=CCNC(=O)Nc1ccc(F)cc1Cl 40525861 AZOUHJMNNZCQGX-UHFFFAOYSA-N 228.654 2.787 30 40 BFEB Cc1cccc([C@@H](C#N)C(=O)C(C)C)c1 49812267 OOKJTNKCIZRJEM-GFCCVEGCSA-N 201.269 2.827 30 40 BFEB Cc1cc(C)c(C#N)c(SCCCC#N)n1 57476023 QJDWHUMJIXZADY-UHFFFAOYSA-N 231.324 2.966 30 40 BFEB CCc1ccc(C#N)n1-c1ccc(C)cn1 225303200 LGAVZTXQXQBSQQ-UHFFFAOYSA-N 211.268 2.615 30 40 BFEB CC(C)(C)OC(=O)N1CC[C@@H](C#N)CC12CC2 261358335 WGZBVAGMZJVHSG-SNVBAGLBSA-N 236.315 2.690 30 40 BFEB C=C1CC[C@@H]2[C@H](CC2(C)C)C(=O)CC[C@@H]1O 1410176 BSFUDCIRZBAPDS-TUAOUCFPSA-N 222.328 2.709 30 40 BFEB endogenous,in-man N#CCCP(CCC#N)c1ccccc1 1590428 LIYGDNBFEBKBBZ-UHFFFAOYSA-N 216.224 2.621 30 40 BFEB N#CCC(=O)c1ccc(F)c(Br)c1 2579785 LDRVPDDDAYDBDI-UHFFFAOYSA-N 242.047 2.685 30 40 BFEB N#Cc1c(C2CC2)cc(C(F)(F)F)nc1O 8782306 XVNJYHDGYUKQIV-UHFFFAOYSA-N 228.173 2.555 30 40 BFEB C=CCOc1ccc(NC(=S)NCC)cc1 14039254 OXBMHZBQIUSWTL-UHFFFAOYSA-N 236.340 2.558 30 40 BFEB O=[N+]([O-])c1ccc(N/N=C2\C[C@@H]3C=CC[C@H]23)cc1 20823173 DWBVNUYMYUVDPD-LUTBFBCPSA-N 243.266 2.959 30 40 BFEB N#CCCc1ccccc1Br 36204336 SZLHFTWIJCWDER-UHFFFAOYSA-N 210.074 2.905 30 40 BFEB in-vitro N#CC1(Sc2ccccc2)CCOCC1 87161528 GVOAKHUSHHGZQY-UHFFFAOYSA-N 219.309 2.851 30 40 BFEB CC(C)c1cc(C#C[Si](C)(C)C)nn1C 216572568 SXMOWEFQQUGEHT-UHFFFAOYSA-N 220.392 2.772 30 40 BFEB CC[C@@H](C)n1c(C#N)cc(N)c1Br 225889319 CVLCLWJPLAKDEL-ZCFIWIBFSA-N 242.120 2.675 30 40 BFEB O=C(/C=C\c1ccccc1)[C@]12CCC[C@H]1O2 309246792 NZXHLNNSFKUNFN-GIBSZGAASA-N 214.264 2.590 30 40 BFEB CO/N=C(\C)[C@@H]1C[C@@H]1c1ccc(OC)cc1 5382259 AHVMJMWHTPGUEA-YADGSTJUSA-N 219.284 2.821 30 40 BFEB N#Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1 6849586 QFFGZUDZCMHJPX-UHFFFAOYSA-N 247.257 2.682 30 40 BFEB CCOC(=O)[C@]1(CC)O[C@]1(C)CC(C)C 86166146 JTHRCBWVMLOORS-NEPJUHHUSA-N 214.305 2.533 30 40 BFEB CC[C@](C)(O)C#Cc1cc(C)cc(C)c1 95633036 GDSJUKCVGXIOFD-AWEZNQCLSA-N 202.297 2.816 30 40 BFEB C[C@H]1CCc2c(sc(/N=C/N(C)C)c2C#N)C1 100843889 PPICRHSXYDQYOJ-HVIDBACLSA-N 247.367 2.966 30 40 BFEB C=C1C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO 252517107 ZQCMGJAUFDKKDX-RMRHIDDWSA-N 238.371 2.748 30 40 BFEB biogenic,in-vitro C=CCN(CC=C)C(=O)[C@@H]1C[C@H]1c1ccccc1 2749174 YJHWTZHJXZBDAX-LSDHHAIUSA-N 241.334 2.991 30 40 BFEB C=CCOc1ccc(CNCC)cc1OCC 6326207 YAFOYNVEJGYALZ-UHFFFAOYSA-N 235.327 2.760 30 40 BFEB CN(Cc1ccccc1)c1ccc(C#N)cn1 12902916 RXICQGWMKUNRDV-UHFFFAOYSA-N 223.279 2.590 30 40 BFEB Cc1nnc(NCc2ccccc2)c(C#N)c1C 24052537 OCQHBMVSRHGMAD-UHFFFAOYSA-N 238.294 2.577 30 40 BFEB COCC#CCN1CC[C@H](C)C[C@H]1c1ccco1 89929884 CMVJSFPNAKVAMC-KBPBESRZSA-N 247.338 2.702 30 40 BFEB Cc1cc(C#N)c(C)n1-c1ccccc1C#N 223713879 OWZRPJRPMKNCJB-UHFFFAOYSA-N 221.263 2.838 30 40 BFEB CNc1oc(-c2ccc(Cl)cc2)nc1C#N 37883 FOBQPWQGVDGQBL-UHFFFAOYSA-N 233.658 2.908 30 40 BFEB O=C1[C@@H](c2ccccc2Cl)[C@H]2CC=C[C@@H]2N1O 4962591 BVCMTZOEWVSYCE-DLOVCJGASA-N 249.697 2.600 30 40 BFEB CCC(/C=N/Nc1nc(C)cc(C)n1)CC 5417309 ZCDUILJQNUJVPP-MDWZMJQESA-N 220.320 2.927 30 40 BFEB C=CCc1ccc(OC2CCNCC2)c(OC)c1 42775550 VSGOVNPRJNZPPN-UHFFFAOYSA-N 247.338 2.555 30 40 BFEB CN(C)/C=C\C(=O)c1cccc(OC(F)F)c1 51467993 IZYFFZWYQKKIKP-SREVYHEPSA-N 241.237 2.546 30 40 BFEB CCOc1ccc(NN=C(C)C)c([N+](=O)[O-])c1 70461183 FRHZXKPQIOQKAE-UHFFFAOYSA-N 237.259 2.801 30 40 BFEB Cc1cc(NCc2ccccc2)ncc1/C=N/O 72223358 PMQIEPPDOAYOQM-LICLKQGHSA-N 241.294 2.810 30 40 BFEB CCO/C=C/C(=O)c1ccc(F)c(F)c1 82545897 UZUAMRIUZUTDHS-AATRIKPKSA-N 212.195 2.698 30 40 BFEB CCCC[C@@H](O)C#Cc1cc(OC)cc(OC)c1 95632010 ORIBADZDTGZOQT-CYBMUJFWSA-N 248.322 2.606 30 40 BFEB CC(C)[C@H](O)C#Cc1ccc(F)c(Cl)c1 95632889 JXIKPOBHWBPUDW-GFCCVEGCSA-N 226.678 2.848 30 40 BFEB C[C@@H](NC[C@@H](O)C(C)(C)C)c1ccc(C#N)cc1 95987906 BDPMHTKXLXABBQ-BXUZGUMPSA-N 246.354 2.616 30 40 BFEB N#Cc1cnc(C(F)(F)F)c(Cl)c1 238582025 KGYKJFBUFJRVKW-UHFFFAOYSA-N 206.554 2.625 30 40 BFEB N#Cc1ccccc1NC(=O)OCC(F)(F)F 2622191 LFYQAFBHFCLZQI-UHFFFAOYSA-N 244.172 2.669 30 40 BFEB C(=N/Nc1nc2ccccc2[nH]1)\c1ccco1 3909476 FEWRCTZTXATFKR-MDWZMJQESA-N 226.239 2.602 30 40 BFEB C=C1C[C@@]2(CCCc3ccccc32)OC1=O 5157437 ISIQOXGBFBNCCJ-CQSZACIVSA-N 214.264 2.721 30 40 BFEB C=C1C(=O)O[C@H]2[C@@H]3O[C@@]3(C)CC/C=C(\C)CC[C@H]12 43162898 KTEXNACQROZXEV-BYOFLBIVSA-N 248.322 2.762 30 40 BFEB Cc1ccc(C#N)cc1NC(=O)NC1CCCC1 58453690 ZYCFCKRYKCNKAL-UHFFFAOYSA-N 243.310 2.931 30 40 BFEB CN(CCC#N)c1ccc(C(F)F)cc1 575628879 FLKSHSGVSUFLNQ-UHFFFAOYSA-N 210.227 2.974 30 40 BFEB N#Cc1ncc(-c2ccccc2)nc1Cl 1601543 BFFKRTUDEQYKEU-UHFFFAOYSA-N 215.643 2.669 30 40 BFEB [O-]/[N+](=C\C=[N+](/[O-])c1ccccc1)c1ccccc1 3107402 GVCSWQQZBJTDLE-NFLUSIDLSA-N 240.262 2.812 30 40 BFEB COc1ccc(COc2cc(C#N)ccn2)cc1 19965646 JXNLVGRHYMVNQD-UHFFFAOYSA-N 240.262 2.541 30 40 BFEB CC[C@H](C)C(=O)N[C@H](C#N)c1ccccc1F 71889079 BBLSDWXNFANPKJ-JOYOIKCWSA-N 234.274 2.553 30 40 BFEB N#CC(C#N)/N=N\c1ccc(Br)cc1 95935144 CIFOXOQVWXRACF-YPKPFQOOSA-N 249.071 2.949 30 40 BFEB Cc1cc(Cl)ccc1CN(C)CC#N 136158043 RZAVVCAUICAVRV-UHFFFAOYSA-N 208.692 2.604 30 40 BFEB O=C1CCCC/C1=C/Nc1cccc(O)c1 380458059 RHNLHFRVKMJYCO-KTKRTIGZSA-N 217.268 2.831 30 40 BFEB CSc1ccc(C#N)cc1NC(=O)C1CC1 1383066 MBZIURKELNUSFR-UHFFFAOYSA-N 232.308 2.629 30 40 BFEB CCCC(=O)Nc1sc2c(c1C#N)CCC2 4075789 XATBASQWSHVDME-UHFFFAOYSA-N 234.324 2.847 30 40 BFEB C#CCNC(=O)C(c1ccccc1)c1ccccc1 18891258 TYEUYBYPDWMCPT-UHFFFAOYSA-N 249.313 2.568 30 40 BFEB CC(C)[C@H](C)NCc1cccc(C#N)c1 20302373 YLDIHABHKPYLKN-NSHDSACASA-N 202.301 2.692 30 40 BFEB C[C@H](CC#N)N(C)Cc1ccccc1F 42375300 GNHJTTJREKDYRO-SNVBAGLBSA-N 206.264 2.560 30 40 BFEB C=C(C)CN(CC)Cc1cn2ccccc2n1 61758730 ILWBQOQMEKGXDL-UHFFFAOYSA-N 229.327 2.732 30 40 BFEB C[C@H]1OCC[C@@H]1Sc1cccc(F)c1C#N 96484043 DBUKSHUABREXRP-KCJUWKMLSA-N 237.299 2.967 30 40 BFEB Cc1cc(C=O)c(C)n1Cc1ccccc1C#N 226032777 ZBEQGCQWWNXDDC-UHFFFAOYSA-N 238.290 2.837 30 40 BFEB O/N=C(\Cl)c1cccc2ncccc12 514252406 INDVVUFFRNNBSG-RAXLEYEMSA-N 206.632 2.609 30 40 BFEB CCOC(=O)[C@H]1C(C)=CC(=O)C[C@@H]1CC(C)C 4025464 ISHAANVVWNKWPI-AAEUAGOBSA-N 238.327 2.747 30 40 BFEB biogenic N#C[C@H](Nc1ccccc1)c1ccncc1 6732156 ZQEGWGUGAZWBPY-ZDUSSCGKSA-N 209.252 2.758 30 40 BFEB C[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 8730518 FYVFNHGWHAVRSX-LBPRGKRZSA-N 214.312 2.790 30 40 BFEB N#C[C@H](CO)Cc1ccc(Cl)c(Cl)c1 63064109 SOGAJWRMOSSKRZ-MRVPVSSYSA-N 230.094 2.668 30 40 BFEB CN(C)/C=C1/C[C@@H](C(C)(C)C)CCC1=O 82545872 SNXYQXLWVGTVPA-JUDLJHIGSA-N 209.333 2.847 30 40 BFEB C=CCCC(=O)c1cccc(F)c1OC 394692583 PPQCKVCYVNRQRA-UHFFFAOYSA-N 208.232 2.983 30 40 BFEB C=CCNC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C 2317110 NVEKSCIIIWJEKA-CBAPKCEASA-N 248.153 2.880 30 40 BFEB c1cc2c(cc1/N=C1\CCCCCN1)OCCO2 4618992 HYMDRDBSIRQXGB-UHFFFAOYSA-N 246.310 2.651 30 40 BFEB Oc1ccc([S+]2CCCCCC2)cc1 4976417 QRCUKVHNRQRGGR-UHFFFAOYSA-O 209.334 2.943 30 40 BFEB CCOCC(=O)[C@@H](C#N)c1ccc(Cl)cc1 5575712 KZQHLLNKTAFEIL-NSHDSACASA-N 237.686 2.553 30 40 BFEB Cc1ccc(NCc2cccc(C#N)c2)nc1 37489172 KQZNAIVAABDSRT-UHFFFAOYSA-N 223.279 2.874 30 40 BFEB CC[C@@H](CC#N)NC(=O)c1ccc(Cl)s1 54177749 BSPJWMMPJLTNOQ-ZETCQYMHSA-N 242.731 2.824 30 40 BFEB CCO/C=C/C(=O)c1c(F)cccc1F 82545884 DSNFOTGWSHQFAY-VOTSOKGWSA-N 212.195 2.698 30 40 BFEB CC(C)CN1c2ccccc2CC[C@@H]1C=O 96510402 LUDLNAJVBGCJNI-CYBMUJFWSA-N 217.312 2.663 30 40 BFEB CCCCCCCCN1CCNC[C@H]1C 100413423 IIRUIBIYTGQFNM-CYBMUJFWSA-N 212.381 2.641 30 40 BFEB CN(C)/C=N/c1c(C=O)[nH]c2ccc(Cl)cc12 100978978 MLKQACRDXMJEEV-VGOFMYFVSA-N 249.701 2.855 30 40 BFEB CCCCCCCNCc1ccnn1CC 256050898 GXQQOFXYTOKWHL-UHFFFAOYSA-N 223.364 2.963 30 40 BFEB C=CCOP(=O)(OCC=C)c1ccccc1 1677152 YSRMRWIQPVDQBV-UHFFFAOYSA-N 238.223 2.910 30 40 BFEB O=C1CCC/C1=C/Nc1cccc(F)c1 5047233 VOXGDUJLYSAQHM-HJWRWDBZSA-N 205.232 2.875 30 40 BFEB Fc1ccc(N/N=C/c2ccncc2)c(F)c1 5162183 HDDPYCLFYGFXOV-LZYBPNLTSA-N 233.221 2.806 30 40 BFEB C[C@H]1CCC[C@H](C)N1/N=C/c1ccncc1 5753724 SALUSPCEBAITJQ-ZQVVPALOSA-N 217.316 2.678 30 40 BFEB Cc1sc2nc(N)c(C#N)c(C)c2c1C 22995821 IWTSWAKZUXOUES-UHFFFAOYSA-N 217.297 2.675 30 40 BFEB C=C(C)Cn1ccc(=O)c2sccc21 75105232 KCDJFOALACSURO-UHFFFAOYSA-N 205.282 2.639 30 40 BFEB N#C/C(=N/Nc1ccccc1Cl)C(=O)C1CC1 104245346 DGLDBWWVQLBJAE-WJDWOHSUSA-N 247.685 2.611 30 40 BFEB Cc1c(-n2cccc2C#N)cccc1[N+](=O)[O-] 223738799 BMNRGDREMWKLTH-UHFFFAOYSA-N 227.223 2.566 30 40 BFEB N#Cc1cc(-n2cccc2)ccc1N1CCCC1 226279980 QLOCGRBBVYSEID-UHFFFAOYSA-N 237.306 2.949 30 40 BFEB CC[C@@](C)(C#CCN1CCCCC1)OCCC#N 2294461 NLXXSPMPZIUMIU-HNNXBMFYSA-N 248.370 2.575 30 40 BFEB O=[N+]([O-])c1ccc2c(c1)/C(=N/O)c1ccccc1-2 15924507 BAMLMBSOLTXBAZ-BUHFOSPRSA-N 240.218 2.802 30 40 BFEB O=C(O)c1ccc(/N=C/c2ccccc2)cc1O 34265237 TVLOPRBOTLNFPQ-OQLLNIDSSA-N 241.246 2.841 30 40 BFEB C=C1C(=O)O[C@H]2[C@@H]1CC/C(C)=C/CC[C@@]1(C)O[C@H]21 59860223 KTEXNACQROZXEV-CMFZEQLMSA-N 248.322 2.762 30 40 BFEB in-vitro C=CCn1c(C(C)=O)cc(C#N)c1CCC 78404505 WSRGUPDJFDUHCC-UHFFFAOYSA-N 216.284 2.701 30 40 BFEB O=C(O)C#Cc1cc(C(F)(F)F)ccc1Cl 85396935 IGPHQJKVANYPEO-UHFFFAOYSA-N 248.587 2.795 30 40 BFEB O=C1/C(=C\c2ccc(F)cc2)Cn2cccc21 96941980 QONWUEKZNILKIB-FLIBITNWSA-N 227.238 2.907 30 40 BFEB Cc1ccc([C@H]2CC(=O)C=C(O)C2)cc1 100672599 VBBBVMOMEYQBNU-LLVKDONJSA-N 202.253 2.883 30 40 BFEB N#Cc1cnoc1N1CCCc2ccccc21 35331 TXWPTDAQOPVPTN-UHFFFAOYSA-N 225.251 2.631 30 40 BFEB CC(C)[C@@H]1Cc2nc(Cl)c(C#N)cc2CO1 521889 CQCZZYGIOZGWPL-NSHDSACASA-N 236.702 2.704 30 40 BFEB C=CCNC(=O)c1oc2ccc(C)cc2c1C 8935545 QDRNJRCXTGPMSD-UHFFFAOYSA-N 229.279 2.965 30 40 BFEB C[C@H](NCc1cccc(C#N)c1)c1ccccn1 20123293 XVVXNXHTHCMLKK-LBPRGKRZSA-N 237.306 2.804 30 40 BFEB COc1ccc(Nc2ccc(C#N)cc2N)cc1 35674448 JOXOOZSZZLPYJB-UHFFFAOYSA-N 239.278 2.893 30 40 BFEB N#Cc1ccc(CNC(=O)C[C@@H]2C=CCC2)cc1 40069731 QPKNTLQPJKGXQS-GFCCVEGCSA-N 240.306 2.531 30 40 BFEB O/N=C/c1ccc(-c2ccc(F)cc2)o1 49813006 VRAXVLODAYHCJB-NTUHNPAUSA-N 205.188 2.894 30 40 BFEB C=CCNC(=O)CS[C@@H](C)c1cccs1 71915139 GXTSLWNLFZOVRD-VIFPVBQESA-N 241.381 2.845 30 40 BFEB N#C[C@@H](C(=O)CC1CCCC1)c1ccc(F)cn1 80419237 VTWFMJWXNKULEW-GFCCVEGCSA-N 246.285 2.977 30 40 BFEB C=C(C)CNC1(c2ccccc2)CCOCC1 95405874 FBCFGXRPLGAKEZ-UHFFFAOYSA-N 231.339 2.858 30 40 BFEB CCCCCCCCC[C@@H](O)C(=O)O 95625998 MNRBGFKCVTVNBA-SNVBAGLBSA-N 202.294 2.573 30 40 BFEB in-man C=CCN(CC=C)C(=O)[C@H]1C[C@H]2CC[C@H]1C2 102583536 VQPSPKAMDKSVDU-AVGNSLFASA-N 219.328 2.623 30 40 BFEB C/C(=N\O)c1ccc[n+](Cc2ccc(C)cc2)c1 104117324 HCUUTUIDLUSURP-DTQAZKPQSA-O 241.314 2.529 30 40 BFEB Cc1c(C#N)cc(C=O)n1C1CCCCC1 225301067 VRNQDMGATFTQPM-UHFFFAOYSA-N 216.284 2.986 30 40 BFEB O=[N+]([O-])c1ccc(/C=N/c2nccs2)cc1 227142 PHLFPZFOJXHXPC-KPKJPENVSA-N 233.252 2.802 30 40 BFEB CC(=O)C(=Cc1c[nH]c2ccccc12)C(C)=O 1745429 JUOPPGQXDUIMMV-UHFFFAOYSA-N 227.263 2.729 30 40 BFEB N#CCc1ccc(OCc2cccc(N)c2)cc1 19392316 LRBWIBWHERQMFA-UHFFFAOYSA-N 238.290 2.914 30 40 BFEB CCc1ccc(C(=O)C2(C#N)CCOCC2)cc1 85395826 PPSXQAGPYRLDRE-UHFFFAOYSA-N 243.306 2.752 30 40 BFEB C=CCn1nc(C)nc1-c1ccccc1C 95960214 QGKGSAOHCMXZLV-UHFFFAOYSA-N 213.284 2.748 30 40 BFEB Cc1nn(CC2CCCCCC2)c(N)c1C#N 97146476 XHOBOYQUXHDETN-UHFFFAOYSA-N 232.331 2.616 30 40 BFEB C=C1C(=O)O[C@@H]2C[C@@H](C)C(CCC(C)=O)=CC[C@H]12 898680 AVFIYMSJDDGDBQ-OWYVNGRQSA-N 248.322 2.810 30 40 BFEB biogenic,in-vitro N#C/C(=N\Nc1ccccc1Cl)C(=O)C1CC1 1590877 DGLDBWWVQLBJAE-LFIBNONCSA-N 247.685 2.611 30 40 BFEB N#Cc1cccc(C(=O)NCc2cccs2)c1 3518791 MLEBEHXVHSWWFA-UHFFFAOYSA-N 242.303 2.550 30 40 BFEB C[N+](C)(C)[C@H](C1=CCCC1=O)c1ccccc1 6519627 UNGBEOHVVJLIAD-HNNXBMFYSA-N 230.331 2.723 30 40 BFEB in-vitro Cn1c(SCCC#N)nc2ccccc21 9515947 RHBYENDLESFGIA-UHFFFAOYSA-N 217.297 2.579 30 40 BFEB CO[P@](C)(=O)/C(Cc1ccccc1)=N\O 17254117 NFNSCRWAQXPMNQ-WOLCWHLNSA-N 227.200 2.571 30 40 BFEB COc1ccc(CNc2ccc(C#N)cn2)cc1 19489056 XVLYTJBXXMFDLZ-UHFFFAOYSA-N 239.278 2.574 30 40 BFEB O=C(O)c1ccccc1N/N=C\c1ccccc1 31613704 JWHPRNIQGLRBPH-GDNBJRDFSA-N 240.262 2.831 30 40 BFEB CC[C@H](C#N)N[C@@H](C)Cc1ccccc1 31937853 XSFNXMWYXXKEGX-WCQYABFASA-N 202.301 2.509 30 40 BFEB Cc1cc(N(C)CC#N)ccc1Br 49829495 YQCXQUAMUCQLAG-UHFFFAOYSA-N 239.116 2.717 30 40 BFEB CCO[C@@H](C)OCC#Cc1ccc(F)c(C)c1 95632345 MLLYTFFKRQYYLF-GFCCVEGCSA-N 236.286 2.885 30 40 BFEB Cc1cc(C#N)c(C)n1-c1ccc([N+](=O)[O-])cc1 223712088 LMFVDOLYCDPJCE-UHFFFAOYSA-N 241.250 2.874 30 40 BFEB C=C(C)C(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1 263584120 KFVLPEIMNOGRJP-JRKBUQLVSA-N 220.312 2.930 30 40 BFEB in-vitro CC#CCCC(=O)Nc1ccc(C)cc1 4673207 JRTSRXLKQDPMJF-UHFFFAOYSA-N 201.269 2.737 30 40 BFEB Cc1ccc(C)c(/N=C2/NC(=O)[C@H](C)S2)c1 5375611 NITXIIQQGSQGNP-VIFPVBQESA-N 234.324 2.542 30 40 BFEB C[C@H](C#N)Cn1nc(C2CC2)cc1C(F)(F)F 12395630 VUKUFSQPQOFDSU-SSDOTTSWSA-N 243.232 2.939 30 40 BFEB Oc1ccc(/N=C/c2ccc3c(c2)OCO3)cc1 18067901 QRGWVTWDYKRYGR-OVCLIPMQSA-N 241.246 2.872 30 40 BFEB COc1ccnc(Oc2ccc(F)cc2)c1C#N 1398092 QHTGWHWTYXVZDX-UHFFFAOYSA-N 244.225 2.893 30 40 BFEB CCCOC(=O)[C@@H]1O[C@]1(C)c1ccc(C)cc1 1733588 LCWUANUUEDYERB-GXTWGEPZSA-N 234.295 2.562 30 40 BFEB Fc1cccc(/C=N/Nc2ccccn2)c1 5694559 NTRHTBHCKTXPRF-OQLLNIDSSA-N 215.231 2.667 30 40 BFEB N#Cc1cc(-c2ccncc2)cnc1Cl 13227945 YYWUUBRRAZTHJK-UHFFFAOYSA-N 215.643 2.669 30 40 BFEB CC/C(C)=N/N=c1/sc2ccccc2n1C 32256532 MJBONFNHMCOZAS-IHJNGOQESA-N 233.340 2.926 30 40 BFEB O/N=C(/Cc1ccncc1)c1ccccc1 34116612 KWCBOUYPEGGIFG-SQFISAMPSA-N 212.252 2.503 30 40 BFEB CCOC(=O)[C@H](C#N)CC1CCCCC1 75618247 HKECEGDLGAASSN-NSHDSACASA-N 209.289 2.660 30 40 BFEB C[C@@H]1CC[C@@H]1COc1ccc(C#N)cc1 96526453 JSQIEDNLUQCLIA-ZYHUDNBSSA-N 201.269 2.983 30 40 BFEB C[N+]1(C)CCC[C@](C#N)(c2ccccc2)CC1 1593289 YWGSRELTNDVXPS-HNNXBMFYSA-N 229.347 2.708 30 40 BFEB COC(=O)CCCCCCC1=CCCC1=O 2575269 KDHIOWQSFJTRQG-UHFFFAOYSA-N 224.300 2.789 30 40 BFEB CO/N=C(\c1ccc(C2CC2)nc1)C1CC1 4051303 OSJJJLHGCHBSFQ-SQFISAMPSA-N 216.284 2.720 30 40 BFEB C=CCc1ccccc1OC[C@H]1CCCNC1 14631191 FQKPPSMMGYQIRJ-ZDUSSCGKSA-N 231.339 2.794 30 40 BFEB in-vitro CCOC(CCOc1cccc(C#N)c1)OCC 75767572 LTHHZLOHKGENKX-UHFFFAOYSA-N 249.310 2.726 30 40 BFEB in-vitro CC[C@](C)(O)C#Cc1cccc(C)c1C 95632017 RBUZFFWQMCVBSX-AWEZNQCLSA-N 202.297 2.816 30 40 BFEB CCCCCCCC[S@@](=O)CCCCO 98008413 JGOJUXYAQVPKQL-HNNXBMFYSA-N 234.405 2.868 30 40 BFEB CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 298258 CKZAAOIKKBVMLF-SSDOTTSWSA-N 234.324 2.703 30 40 BFEB C=C(c1ccccc1)[C@@]1(O)CCCC[C@@H]1N(C)C 1588618 MLNPNKQUANSWIW-HOTGVXAUSA-N 245.366 2.935 30 40 BFEB C[C@@H]1CCCCN1C(=O)c1cccc(C#N)c1 3433854 ADOZXLWPUGNEPA-LLVKDONJSA-N 228.295 2.573 30 40 BFEB C=C1C(=O)O[C@@H]2C=C(C)CC[C@@H](O)C(=C)CC[C@@H]12 4098026 JNHKVMWTQCZYHK-BFHYXJOUSA-N 248.322 2.522 30 40 BFEB biogenic,in-vitro CCO/N=C1\C(O)=Nc2c1ccc(C)c2C 17696035 OGAWOCRCFISJBS-UHFFFAOYSA-N 218.256 2.646 30 40 BFEB C=CCN(CC=C)C(=O)c1sc(C)nc1C 42856065 BDPMEQUWWFNLFO-UHFFFAOYSA-N 236.340 2.574 30 40 BFEB COc1ccc(Cl)cc1CCS 57491423 DWWRIYSJMLGZGR-UHFFFAOYSA-N 202.706 2.821 30 40 BFEB C#Cc1cccc(NC(=O)c2cnc(C)s2)c1 84290580 IESUWXQDGWNVOF-UHFFFAOYSA-N 242.303 2.685 30 40 BFEB C[C@@H]1CSC(SCCCC#N)=N1 89524518 NZRCOHNZTASDEN-SSDOTTSWSA-N 200.332 2.515 30 40 BFEB Cc1ccsc1C(=O)OCC1(CC#N)CC1 96442779 RCJIOLCOHZUZGY-UHFFFAOYSA-N 235.308 2.907 30 40 BFEB C#C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 521400819 CJVRIMIDHYKFLD-GHMZBOCLSA-N 223.316 2.655 30 40 BFEB C=CCSc1nccn(-c2ccccc2)c1=O 1889136177 QYXGBFFXKHQMTG-UHFFFAOYSA-N 244.319 2.511 30 40 BFEB N#CC(C#N)CC(=O)C12CC3CC(CC(C3)C1)C2 1439724 HLNGQZIGOWLQFI-UHFFFAOYSA-N 242.322 2.825 30 40 BFEB COc1ccccc1C(=O)c1ccc(C#N)cc1 2574622 JIHWLNLWBPKWMG-UHFFFAOYSA-N 237.258 2.798 30 40 BFEB N#Cc1ccccc1COc1ccccc1N 4137058 KGCCAKQBBVTXSN-UHFFFAOYSA-N 224.263 2.719 30 40 BFEB COc1ccc2nc(/C(C)=N/O)sc2c1 4980775 SNFVBTFQFXSCRD-WUXMJOGZSA-N 222.269 2.503 30 40 BFEB N#Cc1cccc(C(=O)c2ccsc2)c1 43210291 RQKCISKXZLAQIC-UHFFFAOYSA-N 213.261 2.851 30 40 BFEB CC(C)(C)CC(=O)NCc1cccc(C#N)c1 45213732 MZZCCCVXCLYGPZ-UHFFFAOYSA-N 230.311 2.611 30 40 BFEB CC(C)(C)OC(=O)N1CCC[C@@H](CS)C1 71485012 CTGQIKIVZPEWJZ-SECBINFHSA-N 231.361 2.563 30 40 BFEB N#Cc1ccc(OC2CC2)cc1Br 95736154 NVEATKQFNNRZEU-UHFFFAOYSA-N 238.084 2.862 30 40 BFEB CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](S)C1 218744815 PCDOFJVVBXRUHP-BDAKNGLRSA-N 231.361 2.752 30 40 BFEB C=CCC(C)(C)C(=O)NCc1ccccc1 1654112 VGKPPWHLUFQXFN-UHFFFAOYSA-N 217.312 2.905 30 40 BFEB CC(C)(C)OC(=O)N1CCc2c(C#N)cccc21 26894140 XWZXYKIMTSTFPM-UHFFFAOYSA-N 244.294 2.856 30 40 BFEB CC[C@@H](C#N)N[C@H](C)Cc1ccccc1 31937858 XSFNXMWYXXKEGX-YPMHNXCESA-N 202.301 2.509 30 40 BFEB N#Cc1cc(F)ccc1NCc1cccnc1 71533037 IUIIODUHXVJSNC-UHFFFAOYSA-N 227.242 2.704 30 40 BFEB Fc1ccc(C#CCO[C@@H]2CCCCO2)cc1 95632494 YPPPTXXZBNNQII-CQSZACIVSA-N 234.270 2.720 30 40 BFEB C=CCCC[C@@H](C)NC(=O)c1ccc(O)c(O)c1 97235380 LCAHPBSDHQYZMH-SNVBAGLBSA-N 249.310 2.572 30 40 BFEB COC1=C/C(=N\O)[C@@]2(C)CC[C@H]1C2(C)C 100363485 ACVXVSZJBOCMOY-MCVWLUIFSA-N 209.289 2.803 30 40 BFEB CCCCCCCCCCNCCOCCO 100925990 YWJOELCOQYYQLV-UHFFFAOYSA-N 245.407 2.726 30 40 BFEB ClC1(Cl)CCC[C@]2(Cl)O[C@H]12 2164292 AIPINVBKJYKCOI-XINAWCOVSA-N 201.480 2.678 30 40 BFEB CSc1nccc(N/N=C/c2ccccc2)n1 4795872 FSKCXIIEXDTKGV-NTEUORMPSA-N 244.323 2.645 30 40 BFEB N#Cc1ccc(C(=O)/C=C/c2cccnc2)cc1 9378715 LEZFDDNYNFLFAT-VMPITWQZSA-N 234.258 2.849 30 40 BFEB Cc1ccc(/C=N/Nc2ccccc2C(=O)O)o1 11905637 CVEIHKQOFXJFDX-RIYZIHGNSA-N 244.250 2.732 30 40 BFEB C=C(C)CNC(=S)N1CCCc2ccccc21 16191283 FJUDQWUTZOVAFL-UHFFFAOYSA-N 246.379 2.890 30 40 BFEB C=C(C)C(=O)OC/C=C\c1ccccc1 17149193 QJAIDMRTITZOLC-TWGQIWQCSA-N 202.253 2.819 30 40 BFEB CC(C)(C)c1ccc(C(=O)OC[C@H]2CO2)cc1 32252957 NOWVDELPZQQGIG-GFCCVEGCSA-N 234.295 2.540 30 40 BFEB in-vitro C=CCCCOC(=O)c1ccccc1C(=O)O 77311462 HYCQCFCIEMXEMJ-UHFFFAOYSA-N 234.251 2.508 30 40 BFEB in-vitro CCc1c(C#N)cc(C(C)=O)n1C(C)C 78404478 LKTCLQKAGJGGDP-UHFFFAOYSA-N 204.273 2.706 30 40 BFEB C=CCn1cc(C(=O)CC#N)c2ccccc21 84859266 FJOXACQHBIAJAN-UHFFFAOYSA-N 224.263 2.924 30 40 BFEB N#CCc1cc(F)cc(OC(F)(F)F)c1 91252270 FISAVDYKHYBCGM-UHFFFAOYSA-N 219.137 2.790 30 40 BFEB Cc1ccc(C#CC2(O)CCCC2)c(C)c1 95633526 DAFHIWVRJLAXKE-UHFFFAOYSA-N 214.308 2.960 30 40 BFEB CC(C)c1nc(O)c(Br)cc1C#N 96510630 MWWJSGXHOOEHDP-UHFFFAOYSA-N 241.088 2.545 30 40 BFEB O/N=C1/[C@H]2CC[C@H](C2)[C@H]1N1CCCCCCC1 100964735 SOJSNMUGHJYLFG-OXXQAVBPSA-N 236.359 2.881 30 40 BFEB O=C(/C=C(\O)c1ccncc1)c1ccccc1 103712999 WOAPIKXUBWRALE-UVTDQMKNSA-N 225.247 2.863 30 40 BFEB N#Cc1cc(C=O)ccc1OCC1CCCC1 575421954 DGCBXHOFSXMCHW-UHFFFAOYSA-N 229.279 2.940 30 40 BFEB C=CC[C@H](C=C)S(=O)(=O)c1ccc(C)cc1 478206 RVILKSXCLSXCRJ-LBPRGKRZSA-N 236.336 2.899 30 40 BFEB CCC(C)(C)NCc1ccc(C#N)cc1 19879973 NAQWTQOVEZTTST-UHFFFAOYSA-N 202.301 2.836 30 40 BFEB CC1(C)[C@@H]2CC[C@@]1(Br)/C(=N\O)C2 72220775 CSBGJIXXZJOLGS-YZOWWCITSA-N 232.121 2.790 30 40 BFEB C=CCOc1ccnc(-c2ccccc2)n1 1569495 TZXVVKAADCAVOK-UHFFFAOYSA-N 212.252 2.708 30 40 BFEB C=C(c1ccccc1)[C@@]1(O)CCCC[C@H]1N(C)C 1588619 MLNPNKQUANSWIW-CVEARBPZSA-N 245.366 2.935 30 40 BFEB N#Cc1ccc(C(=O)Cc2ccccc2)cc1 2392950 AFMLJSCAQOSMIG-UHFFFAOYSA-N 221.259 2.984 30 40 BFEB N#Cc1cccc(C(=O)Nc2cccc(F)c2)c1 3518707 MKMCULZDLAEPNL-UHFFFAOYSA-N 240.237 2.950 30 40 BFEB N#C[C@@H](Nc1ccccc1)c1cccnc1 6732159 LCJYDAGMDMNRFO-CYBMUJFWSA-N 209.252 2.758 30 40 BFEB C=CCOc1ccc(/C=C(\C)[N+](=O)[O-])cc1OC 12362129 ZZJOBIBKMRAMFW-CSKARUKUSA-N 249.266 2.898 30 40 BFEB COc1cc2c(cc1OC)/C(=N\O)CCCC2 12417598 IEMVMJLWBFBJAS-KAMYIIQDSA-N 235.283 2.609 30 40 BFEB CC(C)CCNCc1cccc(C#N)c1 19911889 OQIYPJZIKJZLQB-UHFFFAOYSA-N 202.301 2.694 30 40 BFEB C[C@@H]1CC[C@H](NCc2cccc(C#N)c2)C1 70643407 LWYTYNNFJYRDTO-RISCZKNCSA-N 214.312 2.836 30 40 BFEB CC(C)OB(C#Cc1ccccc1)OC(C)C 169807625 FECUSGOPAKRSLF-UHFFFAOYSA-N 230.116 2.916 30 40 BFEB in-vitro C=CCOc1c(Cl)cc(F)cc1C=O 225270584 ZHFUQPQGKKDXEB-UHFFFAOYSA-N 214.623 2.856 30 40 BFEB N#Cc1ccc(C(=O)C(F)(F)Cl)cc1F 308834933 VWPFGLSSJSASBJ-UHFFFAOYSA-N 233.576 2.712 30 40 BFEB CC(=O)c1ccccc1Oc1ccc(C#N)cn1 685937613 LNYKKSCDEHFFMR-UHFFFAOYSA-N 238.246 2.948 30 40 BFEB O=C(/C(=C\c1ccccc1)CO)c1ccccc1 5046007 YDXFYKYARHMICG-PTNGSMBKSA-N 238.286 2.945 30 40 BFEB Cc1cc(C)cc(-c2nnc(SCC#N)o2)c1 5794213 BDFHSNFTAUSLNZ-UHFFFAOYSA-N 245.307 2.969 30 40 BFEB COC[C@H](/N=C/c1ccc(OC)cc1)C(C)C 17256253 MONVNSWGRGLHCL-AHSSXEFNSA-N 235.327 2.785 30 40 BFEB COc1ccccc1/C=N\Nc1ccccn1 31667563 ZGQJHVJUJRXACN-GDNBJRDFSA-N 227.267 2.536 30 40 BFEB C=CCN(CC=C)c1cccc(NC(C)=O)c1 55160954 SGSJBZWRNYSXPE-UHFFFAOYSA-N 230.311 2.823 30 40 BFEB CC(C)[C@@H](O)C#Cc1cccc(Cl)c1 95631798 FRWWPFJGCICZNK-LBPRGKRZSA-N 208.688 2.708 30 40 BFEB Cc1nnc(CSc2ccc(C#N)cc2)o1 96467948 OQWSVKVLTYKKMR-UHFFFAOYSA-N 231.280 2.542 30 40 BFEB N#C[C@H]1C[C@H]2C[C@H]1[C@@H]1N=NN(c3ccccc3)[C@H]12 104368379 YUFTVWIQXATJBM-MYALOSSISA-N 238.294 2.791 30 40 BFEB COc1ccc(Br)c(Cl)c1C#N 169799920 LRVWWRVMGCYAOO-UHFFFAOYSA-N 246.491 2.983 30 40 BFEB C=CCC(C)(C)C(=O)Nc1ccc(OC)nc1 225941886 AEEDOVAKZGWVGX-UHFFFAOYSA-N 234.299 2.631 30 40 BFEB C=CCCC(=O)N1CCC2(CC1)CC2(F)F 650604259 WIOORULVNFQVIL-UHFFFAOYSA-N 229.270 2.600 30 40 BFEB CCCCOC(=O)[C@H](C#N)Cc1ccccc1 3159546 ZRYGZYFWJAKWQY-ZDUSSCGKSA-N 231.295 2.712 30 40 BFEB Cn1cccc1/C=C/C(=O)c1ccccc1 4087379 HHMROOWFQCUKMR-MDZDMXLPSA-N 211.264 2.921 30 40 BFEB C=C(C)CC#CC(C)(C)OC[C@H]1CS1 5382894 KIEWNPSXHYYAIS-NSHDSACASA-N 210.342 2.867 30 40 BFEB CSC(=S)N/N=C(/C)c1cccs1 6292889 RELVETABMLPGIV-TWGQIWQCSA-N 230.383 2.710 30 40 BFEB N#Cc1cccc(NC(=O)/C=C/c2ccncc2)c1 29108608 KMSFDGIMLSQWEZ-SNAWJCMRSA-N 249.273 2.605 30 40 BFEB C#Cc1cccc(NC(=O)OCC(F)(F)F)c1 32628785 JMWNSFNIRMWYBJ-UHFFFAOYSA-N 243.184 2.779 30 40 BFEB in-vitro CCOC(=O)[C@@H]1O[C@@]1(C)c1ccccc1Cl 85657671 JMUOTVUSPPPEHO-JQWIXIFHSA-N 240.686 2.517 30 40 BFEB C=C(Cl)CN(C)[C@H](CO)c1cccc(F)c1 95396850 LMJQXIMKIYNJIY-GFCCVEGCSA-N 243.709 2.543 30 40 BFEB CNc1ccc(C#C[Si](C)(C)C)cc1 238330995 LBOFHUWMNFFVKA-UHFFFAOYSA-N 203.361 2.957 30 40 BFEB Nc1ccccc1C(=O)/C=C/c1ccccc1O 5581553 IUQMJWRUXHOYJG-MDZDMXLPSA-N 239.274 2.871 30 40 BFEB C=CCNC(=O)Cc1ccc(Cl)c(Cl)c1 40458906 MIITUAAEFJBTHU-UHFFFAOYSA-N 244.121 2.838 30 40 BFEB COc1c(C)cc(Br)cc1C#N 40545501 FXXXSKQQZDGJJW-UHFFFAOYSA-N 226.073 2.638 30 40 BFEB Cc1cc(NC(=O)CC#N)c(C)cc1Cl 72333512 UNPOLFVJVVEBSG-UHFFFAOYSA-N 222.675 2.809 30 40 BFEB Oc1cccc(/N=C\c2ccccc2O)c1 104035080 UALRWOGQNILXLJ-ZROIWOOFSA-N 213.236 2.848 30 40 BFEB Cn1nc(C#C[Si](C)(C)C)cc1C1CC1 216572645 KCJUJJHPLDBREU-UHFFFAOYSA-N 218.376 2.526 30 40 BFEB CCOC(=O)c1ccc(-c2ccc(C#N)o2)cc1 2578525 QWYSQQBXVILKTE-UHFFFAOYSA-N 241.246 2.995 30 40 BFEB CC(C)CCC(=O)Nc1ccc(C#N)cc1 14908375 SLGKFKHFWJZKRH-UHFFFAOYSA-N 216.284 2.933 30 40 BFEB CSC(=S)N/N=C(/C)CC(C)C 17061800 RCJLEQDTBCNKBB-CLFYSBASSA-N 204.364 2.646 30 40 BFEB CC(C)CCC(=O)N[C@@H](C#N)c1ccccc1F 71889056 DOTNJKVWBISVOW-ZDUSSCGKSA-N 248.301 2.943 30 40 BFEB N#Cc1ccc(F)cc1OC(F)(F)F 84845496 HGQQVVYULDWWOU-UHFFFAOYSA-N 205.110 2.596 30 40 BFEB CC(C)(C)Oc1ccc(C#CCCO)cc1 95631432 PSGQOLGLIUFBMT-UHFFFAOYSA-N 218.296 2.598 30 40 BFEB CC(C)(C#N)COC(=O)C1=CCCCC1 97166075 OXRWLIUIGIBHOO-UHFFFAOYSA-N 207.273 2.580 30 40 BFEB O/N=C1/[C@H]2CC[C@H](C2)[C@@H]1Nc1ccccc1F 100964889 HNZBAOWVOAPRDX-LSQNGYKFSA-N 234.274 2.866 30 40 BFEB N#Cc1ccc(CN[C@@H]2CCC[C@H]2F)c(F)c1 585298589 XTAQMSAWCAXYJG-DGCLKSJQSA-N 236.265 2.678 30 40 BFEB CS/C(=N\C#N)Sc1ccccc1 4290410 DFCMEHPDGATCFE-PKNBQFBNSA-N 208.311 2.979 30 40 BFEB Fc1ccc(/C=N\c2ccccn2)cc1 17919310 PVXHXNDPLBGVSE-DHDCSXOGSA-N 200.216 2.971 30 40 BFEB CCCOc1ccc(C(=O)CC#N)cc1 20156207 NMRIBMKTDGSHSO-UHFFFAOYSA-N 203.241 2.572 30 40 BFEB CCC(=O)[C@@H](C#N)c1cccc(Cl)c1 36930585 UEDUVULOZVQAJV-JTQLQIEISA-N 207.660 2.926 30 40 BFEB CN(Cc1cccc(C#N)c1)C1CCCC1 37022447 CIKHYSHQZAVDFQ-UHFFFAOYSA-N 214.312 2.933 30 40 BFEB Cc1nn(C)cc1C(=O)/C=C/c1ccsc1 47380307 XOECOPMWBLQSRK-ONEGZZNKSA-N 232.308 2.686 30 40 BFEB N#CCc1nc2cc(C(F)(F)F)ccc2[nH]1 59901591 IFSWUJHOYKYNBX-UHFFFAOYSA-N 225.173 2.648 30 40 BFEB in-vitro O=[N+]([O-])c1ccc2c(c1)-c1ccccc1/C2=N/O 102832578 LMHSTOFRBYSVEQ-YPKPFQOOSA-N 240.218 2.802 30 40 BFEB CC[C@@H](CC#N)OC(=O)c1cccc(F)c1 188091468 MGIICFWOZRRMMV-NSHDSACASA-N 221.231 2.675 30 40 BFEB C=C1C[C@H](O)[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CO 252517108 ZQCMGJAUFDKKDX-XPCVCDNBSA-N 238.371 2.748 30 40 BFEB biogenic,in-vitro C#C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 521400827 CJVRIMIDHYKFLD-WDEREUQCSA-N 223.316 2.655 30 40 BFEB Cc1sc(NC(=O)C(F)(F)F)c(C#N)c1C 483760 URRMUKNSIRBQNS-UHFFFAOYSA-N 248.229 2.737 30 40 BFEB O=C(/C=C/c1cccnc1)c1ccccc1O 3898710 CRWNZUBUBIULHB-BQYQJAHWSA-N 225.247 2.683 30 40 BFEB COC(=O)CCC(=O)/C=C/C=C/c1ccccc1 4266302 RHJDGWCFESNSMW-NXZHAISVSA-N 244.290 2.778 30 40 BFEB C[C@H]1C/C(=N/O)[C@H](C)CN1Cc1ccccc1 12416442 VJXBICUWSHNVFV-JLYMINNFSA-N 232.327 2.747 30 40 BFEB C[C@@H](NC(=O)C1(C#N)CCCC1)c1ccco1 25261115 PFHYAYXIKQITLP-SNVBAGLBSA-N 232.283 2.541 30 40 BFEB Fc1ccccc1/C=N\Nc1nccs1 31854285 BRYDYHRGWZUEKL-QPEQYQDCSA-N 221.260 2.728 30 40 BFEB CCCC[C@@H](O)C#Cc1cc(F)ccc1OC 95633680 PVSUBEFUYSQWBE-CYBMUJFWSA-N 236.286 2.737 30 40 BFEB CC(C)(C)COc1ccc(C=O)cc1C#N 575421759 BEGOPBSUDMXWMZ-UHFFFAOYSA-N 217.268 2.796 30 40 BFEB Cc1ccc2[nH]c(CCN(C)C)c(CC#N)c2c1 28969 AZBZDVGXVXNMCB-UHFFFAOYSA-N 241.338 2.647 30 40 BFEB N#Cc1cc2cc(Cl)cc(Cl)c2oc1=O 265424 GPCGEVOFWHXVPG-UHFFFAOYSA-N 240.045 2.971 30 40 BFEB C=C(CN1CCCC1)C(=O)c1ccc(OC)cc1 1608310 QGAQZDWFQMAIRS-UHFFFAOYSA-N 245.322 2.530 30 40 BFEB CCC(CC)NC(=O)/C=C/c1ccccc1C#N 9721288 SNIIWAHBMPMNPJ-MDZDMXLPSA-N 242.322 2.876 30 40 BFEB Cc1cccc(/C=N\N=C/c2cccc(C)n2)n1 12495299 VSJRZCZUEFIXFC-VULZFCBJSA-N 238.294 2.546 30 40 BFEB CCN(CC)[C@@H](C#N)c1ccc(OC)cc1 19934342 SQVZIVSZCKAATP-ZDUSSCGKSA-N 218.300 2.602 30 40 BFEB C=CCN(CC=C)Cc1csc(CC)n1 45914476 VQPUTYIZBUFKKN-UHFFFAOYSA-N 222.357 2.880 30 40 BFEB COC(=O)C#Cc1cc(Cl)cc(Cl)c1 70835449 MUATVVRPLPDPII-UHFFFAOYSA-N 229.062 2.518 30 40 BFEB in-vitro CCCC[C@H](O)C#Cc1ccc(F)c(F)c1 95631877 VVCUKADBXHQRRW-NSHDSACASA-N 224.250 2.867 30 40 BFEB N#Cc1c(Cl)nc(C2CC2)c2c1CCC2 96509708 ARMUWPMQJMDSEG-UHFFFAOYSA-N 218.687 2.973 30 40 BFEB C[C@@H]1C/C(=C\C(=O)c2ccc(Cl)cc2)NC1=O 100246332 RSHOBTYVYZKXQV-XAPLUZPNSA-N 249.697 2.563 30 40 BFEB N#CC1(c2ccc(NC(=O)C3CC3)cc2)CC1 222969576 WVNJKDIXSFORSE-UHFFFAOYSA-N 226.279 2.590 30 40 BFEB Cc1cccc(C(C)C)c1NC(=O)CS 111862 BRIIMJBXQXXOSG-UHFFFAOYSA-N 223.341 2.987 30 40 BFEB C/C=C(/CC)[C@](C#N)(CC)C(=O)OCC 1600373 BNJALDIQJCOAEB-DUWGPSABSA-N 209.289 2.826 30 40 BFEB O=C(O)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 1691340 MNASQCXSZQNYJN-DUXPYHPUSA-N 245.061 2.660 30 40 BFEB CC1=CC(=O)C2=C(C)CC[C@@H]([C@H](C)C(=O)O)C=C12 4073789 YRMFMPDLOYHGGH-WDEREUQCSA-N 246.306 2.889 30 40 BFEB biogenic N#Cc1ccc(C(=O)Oc2ccc(F)cc2)cc1 7657124 WAENLKJPFKPZCQ-UHFFFAOYSA-N 241.221 2.917 30 40 BFEB CC(=O)/C(C(=O)c1ccccc1Cl)=C(/C)O 16136423 IMKKUGJVUXEMNT-YRNVUSSQSA-N 238.670 2.944 30 40 BFEB COC(=O)[C@H]1OC12CCC(C(C)(C)C)CC2 34542602 CFHGGDSSVATQIH-RUETXSTFSA-N 226.316 2.533 30 40 BFEB C[C@]1(c2ccccc2)CCCN(CC#N)C1 79097487 KQJDPUQVWBHFGH-AWEZNQCLSA-N 214.312 2.564 30 40 BFEB C[C@@H](OC(=O)C1=CCCC1)C(C)(C)C#N 96483896 CLFVYFAFOYZLEB-SECBINFHSA-N 207.273 2.578 30 40 BFEB CCCCn1c(C#N)cc(N)c1OC(C)C 225874716 KOIPOOSCXCJGSM-UHFFFAOYSA-N 221.304 2.529 30 40 BFEB CN(c1ccccc1)c1ccc(C#N)cn1 19477231 CXEYLUXRKFVUDH-UHFFFAOYSA-N 209.252 2.721 30 40 BFEB CC(=O)/C=C1/c2ccccc2CC(C)(C)N1C 33149748 RHBJTNWCTQYHEM-ZROIWOOFSA-N 229.323 2.883 30 40 BFEB CC(C)c1nc(COc2ccc(C#N)cc2)no1 49336209 KDTQDWYQYPSZCW-UHFFFAOYSA-N 243.266 2.644 30 40 BFEB C=C(C)CN(C)[C@H](C)c1cccc(O)c1 71892974 FCJUYETWKCNUQV-LLVKDONJSA-N 205.301 2.961 30 40 BFEB N#CCCCCOC(=O)c1ccncc1Cl 76091696 ZQXHRTFYMAJBQZ-UHFFFAOYSA-N 238.674 2.586 30 40 BFEB Cc1cccc(C#C[C@@H](O)C(C)C)c1C 95632053 KRKINYLLEYVDJV-CQSZACIVSA-N 202.297 2.672 30 40 BFEB C[C@H](O)CC#Cc1ccc(F)c(Cl)c1 95632886 TZFHZGFQQGPLEO-QMMMGPOBSA-N 212.651 2.602 30 40 BFEB CCC(=O)OCC#Cc1cc(C)cc(C)c1 95633055 YXCDBPDRRUALLZ-UHFFFAOYSA-N 216.280 2.608 30 40 BFEB CC(C)(C)[C@@H](CO)Nc1cccc(F)c1C#N 97237197 JIXUSQSCXXXACS-GFCCVEGCSA-N 236.290 2.516 30 40 BFEB C=CCC[C@H](C)N[C@H]1CCOC(C)(C)C1 97375368 JPOXPGYEXYAHTR-RYUDHWBXSA-N 211.349 2.888 30 40 BFEB CCO/C=N\c1[nH]c(SCC)c(C#N)c1C#N 104058226 AZLMULPLVCXBJG-AUWJEWJLSA-N 248.311 2.566 30 40 BFEB N#Cc1ccncc1OCC1CCCC1 135628171 FAQBYUFQPZOECX-UHFFFAOYSA-N 202.257 2.522 30 40 BFEB C/C=C/C(=O)c1ccc(C(=O)OC)cc1C 309365176 NZWIARFJZAUQBO-SNAWJCMRSA-N 218.252 2.540 30 40 BFEB Cc1ccc(CN(C)c2ccc(C#N)cn2)cc1 20264677 KVLFUWGLGGLAFP-UHFFFAOYSA-N 237.306 2.898 30 40 BFEB CCCCCCCCC/C=N/NC(=N)N 102250058 QMJRRIATRJCIOK-GXDHUFHOSA-N 212.341 2.596 30 40 BFEB CC(C)(C)C(=O)c1ccc(C#N)c(F)c1 308799209 LVNAEPIKTLOZGE-UHFFFAOYSA-N 205.232 2.926 30 40 BFEB C=CCOc1cccc(/C=C2/C(=O)ON=C2C)c1 409081309 HAWPSHCLYOYINV-UKTHLTGXSA-N 243.262 2.568 30 40 BFEB O=C1CCC/C1=C/Nc1ccc(F)cc1 409176313 KEEZCVNYFGUITJ-HJWRWDBZSA-N 205.232 2.875 30 40 BFEB CC1(C)OC(=O)[C@@H](C#N)[C@@H]1c1ccc(Cl)cc1 1703229 LZFLUYJCMQZCNZ-QWRGUYRKSA-N 249.697 2.899 30 40 BFEB N#C[C@H]1C[C@@H]2C[C@H]1[C@@H]1N=NN(c3ccccc3)[C@@H]21 4705770 YUFTVWIQXATJBM-SFYZRTLMSA-N 238.294 2.791 30 40 BFEB C[S+](C)CC(=O)c1ccc2ccccc2c1 4783026 QPCWAKFDFPYSSW-UHFFFAOYSA-N 231.340 2.900 30 40 BFEB C#Cc1cccc(NC(=O)/C=C/c2ccncc2)c1 27546034 BGMDRNRIXSUPMH-VOTSOKGWSA-N 248.285 2.715 30 40 BFEB COc1ccc(Cl)c(CCC=O)c1F 199765541 DHSCEFRLFMDXSS-UHFFFAOYSA-N 216.639 2.619 30 40 BFEB C=CCn1c(C#N)ccc1Cc1ccco1 226031618 CHFNUOBQUOVZFQ-UHFFFAOYSA-N 212.252 2.730 30 40 BFEB O=C(/C=C/c1cccnc1)c1cc(F)ccc1O 3898234 XOHORVWNFWLSRC-HWKANZROSA-N 243.237 2.822 30 40 BFEB C=CCC1(O)CCN(Cc2ccccc2)CC1 4343057 VIIPQPVJILJLDX-UHFFFAOYSA-N 231.339 2.590 30 40 BFEB C=C(C)CNC(=S)Nc1ccccc1C(C)=O 6022348 ODTGYVIMCNZGLI-UHFFFAOYSA-N 248.351 2.752 30 40 BFEB N#Cc1ccc(C(=O)c2ccc(Cl)nc2)cc1 45038741 YWUHERVQQOUMFF-UHFFFAOYSA-N 242.665 2.838 30 40 BFEB O=C[C@H]1C[C@H]1c1ccccc1Br 75422304 QPUOVWMSNKRPBF-VXNVDRBHSA-N 225.085 2.752 30 40 BFEB CCCC[C@@H](O)C#Cc1cccc(F)c1 95632467 JBBPGERDTQWGFK-CYBMUJFWSA-N 206.260 2.728 30 40 BFEB CCCS(=O)(=O)/N=C(\O)C1=CCCCCC1 97164164 JJWWSRZTBIAMOJ-UHFFFAOYSA-N 245.344 2.573 30 40 BFEB COc1ccc(/C=N/c2nccs2)cc1OC 101670225 CRXHPIOYADONIY-RIYZIHGNSA-N 248.307 2.911 30 40 BFEB CSC(=CC(=O)c1ccccn1)SC 81695 AATMJUDJDOFFHX-UHFFFAOYSA-N 225.338 2.832 30 40 BFEB in-vitro Cc1ccc2[nH]c3c(c2c1)CCC/C3=N\CCO 4650352 IAKCKZCAKWFVLV-JQIJEIRASA-N 242.322 2.594 30 40 BFEB N#CCC(=O)NCc1ccc(Cl)cc1Cl 6862896 VQNFQLSOKIRCCQ-UHFFFAOYSA-N 243.093 2.523 30 40 BFEB CSc1ncc(/C=N/Nc2ccccc2)cn1 13957168 CVESXKGYKDYWBX-OQLLNIDSSA-N 244.323 2.645 30 40 BFEB C=CC[C@@H](O)c1cc(C)c(OC)c(C)c1 15441066 PQLNUTKTMGEDQH-GFCCVEGCSA-N 206.285 2.922 30 40 BFEB C=C(C)Cc1ccc(C2OCCO2)s1 43209552 MHWGEUKGVSUTEX-UHFFFAOYSA-N 210.298 2.912 30 40 BFEB CC[C@H](C)N(C)C(=S)Nc1ccccc1C#N 54947483 BTHIZXXPDLTUOO-JTQLQIEISA-N 247.367 2.985 30 40 BFEB C[C@@](C#N)(Cc1c(F)cccc1Cl)C(=O)O 57533749 HQORKNISIHNFGE-NSHDSACASA-N 241.649 2.636 30 40 BFEB Cc1cc(N(C)Cc2ccccc2)ncc1C#N 72223389 AENIRCCHAZCJNG-UHFFFAOYSA-N 237.306 2.898 30 40 BFEB N#Cc1cccc(SCc2ncc[nH]2)c1 95412693 DZMCNRCEENJAAL-UHFFFAOYSA-N 215.281 2.574 30 40 BFEB CCCS(=O)(=O)/N=C(\O)CCC1CCCC1 96416216 GQRBILLCQHRYNZ-UHFFFAOYSA-N 247.360 2.653 30 40 BFEB CC(=O)Nc1sc2c(c1C#N)CCCCC2 4344422 QNTQEXMSNPNQKP-UHFFFAOYSA-N 234.324 2.847 30 40 BFEB Cn1cccc1/C=N/Nc1ccc(F)cc1 6239648 YWOYUQUZOPRROX-NTEUORMPSA-N 217.247 2.610 30 40 BFEB C#CCN[C@H](C)c1ccccc1Br 19875492 KIMSQOPNTPBCKA-SECBINFHSA-N 238.128 2.733 30 40 BFEB C[C@H](NCc1cccnc1)c1ccc(C#N)cc1 20140763 DYFDPMWBDMNTHZ-LBPRGKRZSA-N 237.306 2.804 30 40 BFEB Cc1cc(C)nc(N/N=C\c2ccsc2)n1 35771345 MIBCUYUFCSSYSS-SDQBBNPISA-N 232.312 2.601 30 40 BFEB N#CCN(Cc1ccc(F)cc1)CC1CC1 71909065 GEAIJKBSVUZGCB-UHFFFAOYSA-N 218.275 2.561 30 40 BFEB CC1(C)[C@@H]2CC[C@]1(Br)/C(=N\O)C2 103672705 CSBGJIXXZJOLGS-ZUDGNSODSA-N 232.121 2.790 30 40 BFEB CCCCCCCC[N+]1([O-])CCOCC1 1565880 BGOJJTMQQAKVNB-UHFFFAOYSA-N 215.337 2.692 30 40 BFEB CCC[C@@H](C)OS(=O)(=O)c1ccc(C)cc1 1737692 HQSHAZLGVDYADJ-LLVKDONJSA-N 242.340 2.889 30 40 BFEB O=C1/C(=N\O)Sc2c1ccc1ccccc21 5949052 JKZZQGBZBOQLOY-OUKQBFOZSA-N 229.260 2.916 30 40 BFEB N#Cc1cccc(Nc2ncccc2[N+](=O)[O-])c1 7185995 MEDGEQZEQRMVOW-UHFFFAOYSA-N 240.222 2.605 30 40 BFEB C=C(CO)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2C1 15208889 RMARCXQAHOJNRB-KBUPBQIOSA-N 238.371 2.892 30 40 BFEB biogenic,in-vitro N/C(=N\c1cccnc1)c1ccc2ccccc2n1 19701773 BTEFTJPQISAGTH-UHFFFAOYSA-N 248.289 2.667 30 40 BFEB O=C1C=Cc2cc(Br)ccc21 91301987 GDISUFGKUMDDGG-UHFFFAOYSA-N 209.042 2.659 30 40 BFEB CC(C)CN1c2ccccc2CC[C@H]1C=O 96510403 LUDLNAJVBGCJNI-ZDUSSCGKSA-N 217.312 2.663 30 40 BFEB CCn1nccc1CNc1ccc(CC#N)cc1 97115665 HKEZKAVBCQFTDQ-UHFFFAOYSA-N 240.310 2.581 30 40 BFEB CC/N=C(\C)c1cc2ccccc2oc1=O 5396362 ZKCUKYWRXSTEPF-NTEUORMPSA-N 215.252 2.622 30 40 BFEB N#Cc1ccc(NC(=O)NCC2CCCC2)cc1 31664588 ABVYNNNHNIPHGM-UHFFFAOYSA-N 243.310 2.870 30 40 BFEB N#C[C@@H](C=O)c1cccc(C(F)(F)F)c1 37354644 VQGJJMDQKGPLGT-QMMMGPOBSA-N 213.158 2.511 30 40 BFEB O=[N+]([O-])c1ccc(N/N=C\c2ccco2)cc1 38206572 ROUNDRXXZYHEHX-WQLSENKSSA-N 231.211 2.634 30 40 BFEB CCCNc1ccc(C#N)cc1NC(=O)C(C)C 81731475 CMLDJGSFAZFMMY-UHFFFAOYSA-N 245.326 2.975 30 40 BFEB C[C@@H]1OCC[C@@H]1Sc1cccc(F)c1C#N 96484045 DBUKSHUABREXRP-KWQFWETISA-N 237.299 2.967 30 40 BFEB N#Cc1ccc2nc3c(nc2c1)[C@@H]1CC[C@H]3C1 217623204 BMAGCBRVXMSIOK-VHSXEESVSA-N 221.263 2.866 30 40 BFEB N#Cc1ccc(Br)c(N)c1Cl 261508941 YLVGFXCYRKAUFA-UHFFFAOYSA-N 231.480 2.556 30 40 BFEB CSCCC(=O)c1ccc(C#N)c(F)c1 308842477 ZINUZUBCUNVTQO-UHFFFAOYSA-N 223.272 2.633 30 40 BFEB NC(=S)N/N=C1\CCCCC12CCCCC2 18068080 HPGXMMWQPDCHHP-GXDHUFHOSA-N 239.388 2.700 30 40 BFEB N#Cc1c(-n2cccc2)cn2ccccc12 32603847 FVGMQWTVLIBHRD-UHFFFAOYSA-N 207.236 2.602 30 40 BFEB N#C[C@H](C(=O)c1cccnc1)c1cccc(F)c1 37346749 KFZBXSFHAQTRJF-ZDUSSCGKSA-N 240.237 2.711 30 40 BFEB N#Cc1ccnc(OCc2ccccc2F)c1 69284265 WAJFKNWYGYLONV-UHFFFAOYSA-N 228.226 2.671 30 40 BFEB CC[C@@]1([C@@H]2CCCN2C(=O)OC(C)(C)C)CO1 72207974 FVSIKEXSQBOLKP-GWCFXTLKSA-N 241.331 2.565 30 40 BFEB N#Cc1ccc(Oc2nc(Cl)ncc2F)cc1 91654956 FWDJSLJBIZUULY-UHFFFAOYSA-N 249.632 2.933 30 40 BFEB N#Cc1ccc2c(c1)[C@@H]1[C@H]3C=C[C@@H]3[C@H]3[C@H]1[C@H]23 101003241 OVXKINMQQCFJOD-GLIFJJLQSA-N 205.260 2.801 30 40 BFEB FC1=C(F)OC(F)(C(F)(F)C(F)(F)F)O1 145718418 KJWQVURJXRNWPT-UHFFFAOYSA-N 244.037 2.920 30 40 BFEB Cc1ccc(N/C(N)=N/Cc2ccco2)cc1C 225544248 ZVAVDAOKAWLNMJ-UHFFFAOYSA-N 243.310 2.823 30 40 BFEB C#CC[C@@](C)(O)c1ccc(OC(F)(F)F)cc1 575447606 CWWNGAHKIMGVAH-LLVKDONJSA-N 244.212 2.816 30 40 BFEB C(=N/N1CCCCCC1)\c1ccc2c(c1)OCO2 1627400 GGASDOOVSNFRKJ-XNTDXEJSSA-N 246.310 2.625 30 40 BFEB CN(C)CCCCCCCCC(/C=N/O)=N/O 13686268 LZRLJKXWZVWUEI-KPGXXQICSA-N 243.351 2.569 30 40 BFEB CN(C)c1ccc2c(c1)/C(=N/O)c1ccccc1-2 17020171 ZLZAYJVZMQRCQQ-FOCLMDBBSA-N 238.290 2.960 30 40 BFEB Cc1ccccc1N/N=C1\COC(C)(C)CC1=O 17885991 ZEIXQVCJDDFJFT-FOWTUZBSSA-N 246.310 2.531 30 40 BFEB C=CCNC(=O)CSCc1ccccc1C 41365686 LXQFIKAXMDVFHX-UHFFFAOYSA-N 235.352 2.530 30 40 BFEB C[C@@H]1C[C@@H](C)CN(C(=O)C2(C#N)CCCC2)C1 44300142 URIHVCRIXUZQTL-VXGBXAGGSA-N 234.343 2.575 30 40 BFEB Cc1ccc(/C=C/C(=O)c2cnn(C)c2)cc1C 49151308 HFJRVXCWOULONY-VOTSOKGWSA-N 240.306 2.933 30 40 BFEB CCOC(=O)[C@]1(CC)O[C@@]1(C)CC(C)C 86166150 JTHRCBWVMLOORS-RYUDHWBXSA-N 214.305 2.533 30 40 BFEB FC(F)(F)c1ccccc1COC[C@@H]1CO1 95096175 JHURTRLGEJVYER-SECBINFHSA-N 232.201 2.621 30 40 BFEB CC[C@](C)(O)C#Cc1ccc(F)c(C)c1 95632342 LXTHGDUNYYGQFL-ZDUSSCGKSA-N 206.260 2.647 30 40 BFEB CCOC[C@H](C)Nc1ccc(CC#N)cc1 97139348 GECKANWDHOWCNP-NSHDSACASA-N 218.300 2.590 30 40 BFEB O=C1CCSC2=C1c1ccccc1C2 1391366 DJHAYTRLWMVMBB-UHFFFAOYSA-N 202.278 2.660 30 40 BFEB Cc1cnc(NC(=O)c2cccc(C#N)c2)s1 3518861 SGGHNOGBWBASQD-UHFFFAOYSA-N 243.291 2.576 30 40 BFEB N#Cc1cccc(CSc2ncc[nH]2)c1 78993537 YTAPEGSVIRFRBX-UHFFFAOYSA-N 215.281 2.574 30 40 BFEB Cc1ccc(C(=O)N(C)C2(C#N)CCC2)c(F)c1 89616700 XCHMCOKGGKGSPB-UHFFFAOYSA-N 246.285 2.652 30 40 BFEB Cc1cc(CC#N)nc2ccc(F)cc12 95096696 DCNPALLYMJTDDC-UHFFFAOYSA-N 200.216 2.748 30 40 BFEB Cc1ccc2[nH]c(C=O)c(/N=C/N(C)C)c2c1 100978966 QUUIDYBJVUPAOU-RIYZIHGNSA-N 229.283 2.510 30 40 BFEB N#Cc1c(F)cccc1C(=O)C(F)(F)Cl 308775950 ACCBUAGWTZGFKJ-UHFFFAOYSA-N 233.576 2.712 30 40 BFEB C#CCO/N=C(\C)c1ccc(Cl)cc1 5638766 VKGGJHGEKYRBQF-UKTHLTGXSA-N 207.660 2.714 30 40 BFEB C1=C[C@H]2/C(=N\Nc3nc4ccccc4[nH]3)C[C@@H]2C1 7141499 SSDXASMVKDBABN-ZFABLSQFSA-N 238.294 2.927 30 40 BFEB C[C@H](Sc1ccccc1)/C(O)=N/c1ncn[nH]1 26263241 DLVAFKZDFOFJKH-QMMMGPOBSA-N 248.311 2.574 30 40 BFEB C=CCC1=C(C)[C@]2(OC1)C(=O)Nc1ccccc12 26897605 TURWWHYDLHIZPC-OAHLLOKOSA-N 241.290 2.757 30 40 BFEB N#Cc1ccccc1/N=C/c1ccncc1 33868844 GTEAWPUMVUZIST-MHWRWJLKSA-N 207.236 2.704 30 40 BFEB N#Cc1ccc(OCc2ccccc2)cn1 59212583 FCECYLUEYDBZHV-UHFFFAOYSA-N 210.236 2.532 30 40 BFEB N#CC1(c2cc(C(F)(F)F)ccn2)CC1 95094266 QDPJTJNBPLVOOI-UHFFFAOYSA-N 212.174 2.656 30 40 BFEB CCC(=O)OCC#Cc1ccc(F)c(Cl)c1 95632872 SRGMSIFYMDREFP-UHFFFAOYSA-N 240.661 2.784 30 40 BFEB O=C1CCCC2=C1C=Nc1ccccc1N2 96837527 CELZISAFVOFPOR-UHFFFAOYSA-N 212.252 2.822 30 40 BFEB OCC/N=C/c1sc2ccccc2c1Cl 100466360 CKJJYMSCLADRNL-NTUHNPAUSA-N 239.727 2.966 30 40 BFEB N#Cc1ccccc1-c1ccc(/C=N\O)o1 138861454 OPQWQKNAVKECPH-ZSOIEALJSA-N 212.208 2.626 30 40 BFEB C/C(=N\Nc1nc(C)c(C)s1)c1ccncc1 409054201 SLMANLNRCRPTTQ-OQLLNIDSSA-N 246.339 2.991 30 40 BFEB C#Cc1ccccc1Oc1ccncc1C#N 685937301 GLQDWHLWICNWSW-UHFFFAOYSA-N 220.231 2.727 30 40 BFEB CCN1CCC[C@@](C#N)(c2ccccc2)CC1 1593295 VGTIIMMLFBZHTQ-OAHLLOKOSA-N 228.339 2.954 30 40 BFEB C=C(C)[C@H]1CC[C@H](C)O[C@H]1CN1CCCC1 4029231 OESHVYGQGUCFKO-MJBXVCDLSA-N 223.360 2.842 30 40 BFEB COc1ccccc1CN/N=C/c1cccs1 20762286 UXYYUGZQQSEAPC-XNTDXEJSSA-N 246.335 2.880 30 40 BFEB CCCc1nc(C#N)c(NCc2ccncc2)o1 26779520 KOGDDICXUYDYMC-UHFFFAOYSA-N 242.282 2.506 30 40 BFEB CC(C)(C)OC(=O)N[C@H](CC=O)C(C)(C)C 32099049 YQENZVRVJWTMQY-SECBINFHSA-N 229.320 2.515 30 40 BFEB Cc1ccccc1/C(=N/O)C(F)(F)F 39432011 ODINYBLLPAGPKE-JYRVWZFOSA-N 203.163 2.736 30 40 BFEB c1cnc(NN=C2C3CC4CC(C3)CC2C4)nc1 44665974 SRMCDYXWVCFKRH-UHFFFAOYSA-N 242.326 2.701 30 40 BFEB O=C1CCCC/C1=N/Nc1ccc(F)cc1 4951795 PQLGJYWEBWNBLE-PTNGSMBKSA-N 220.247 2.737 30 40 BFEB Cc1ccc(C(=O)/C=C/c2cnn(C)c2)cc1C 12873060 WMQYKTOAXXTPFF-FNORWQNLSA-N 240.306 2.933 30 40 BFEB O/N=C1/CCCC[C@H]1N1CCCCCC1 100965243 KFRJJSBGGIDOSI-NPRUJURCSA-N 210.321 2.635 30 40 BFEB Cc1cccc(Cl)c1-n1nc(C)c(C#N)c1N 604941576 JFVNGGMMEILCEO-UHFFFAOYSA-N 246.701 2.596 30 40 BFEB C=C1CCC=C(CO)C(=O)C[C@@H]2[C@@H]1CC2(C)C 958318271 GVUHIWDAWNDBKR-CHWSQXEVSA-N 234.339 2.877 30 40 BFEB biogenic,in-vitro CC(C)(C)n1cc(/C=N/c2ccccc2)nn1 383929 HJPZHFILCLSZEI-NTEUORMPSA-N 228.299 2.784 30 40 BFEB O=C(/C=C/Nc1ccc(F)cc1)C(F)(F)F 3223623 REFJCJPNXIYNDD-AATRIKPKSA-N 233.164 2.883 30 40 BFEB Cc1nnc(S[C@@H](C)C#N)n1-c1ccccc1 3409828 NFUYWFZTLUOGQE-VIFPVBQESA-N 244.323 2.580 30 40 BFEB C=CCNC(=O)c1ccccc1C(F)(F)F 16649857 FZYXKOYWOFFUBM-UHFFFAOYSA-N 229.201 2.621 30 40 BFEB N#C[C@H](c1ccccn1)c1ccccc1F 32012669 FAXGMCWXNSTNQI-NSHDSACASA-N 212.227 2.876 30 40 BFEB COC(C)(C)C[C@@H](C)NCc1ccc(C#N)cc1 37748364 NGQNPAOXRJCLQT-GFCCVEGCSA-N 246.354 2.851 30 40 BFEB Cc1cccc(OCn2nc(C)c(C#N)c2C)c1 62701653 BILKJFRLDPRSGY-UHFFFAOYSA-N 241.294 2.717 30 40 BFEB C=CCN[C@H](C)c1nc2ccccc2n1CC 95941264 RAQFVAYVTZGHGG-LLVKDONJSA-N 229.327 2.893 30 40 BFEB CCCCC(O)(CCCC)/C(C)=N\O 104200806 HXFOAVBFYXPPEY-BENRWUELSA-N 201.310 2.948 30 40 BFEB C=C(C)COc1c(F)cccc1[N+](=O)[O-] 185017691 CCCQAHAWVSORKI-UHFFFAOYSA-N 211.192 2.689 30 40 BFEB C=CC[Sn](C)(C)C 195753693 IYYAXTUFJCBGQP-UHFFFAOYSA-N 204.889 2.511 30 40 BFEB C/[N+]([O-])=C/c1ccccc1OCc1ccccc1 169074 BRUDIIMWIFKTOZ-WJDWOHSUSA-N 241.290 2.825 30 40 BFEB O=C(Nc1ccccc1)O/N=C/c1ccncc1 194243 VWFMCEPLGRYJHQ-XNTDXEJSSA-N 241.250 2.664 30 40 BFEB CCCC/C=C1/CC[C@H](CN(C)C)C1=O 1618765 DGFOGZAJBWCFAR-SEVUFMINSA-N 209.333 2.644 30 40 BFEB C=CCNC(=S)N[C@@H](C)CCc1ccccc1 6260319 NMVPDWXROHJWBE-LBPRGKRZSA-N 248.395 2.658 30 40 BFEB N#CCCCCOc1ccc(C=O)cc1 42214048 VNJGSQUTLAYLDY-UHFFFAOYSA-N 203.241 2.572 30 40 BFEB CCOCCSCc1cc(F)ccc1C#N 96468081 DXNIEDVASIZUQB-UHFFFAOYSA-N 239.315 2.967 30 40 BFEB C[C@@]1(/[N+]([O-])=C\c2ccccc2F)CCCCC1=O 100099708 YXZNAPPRZBRYDY-DWKHYPNZSA-N 249.285 2.657 30 40 BFEB O=CCC(=O)c1ccc(Cl)c(Cl)c1 101835472 SHYCTJQFLXRVQR-UHFFFAOYSA-N 217.051 2.765 30 40 BFEB Cc1cccc(NC(=O)c2cc(C#N)c[nH]2)c1F 182318600 PGOKLPIQRIGHEL-UHFFFAOYSA-N 243.241 2.586 30 40 BFEB N#Cc1ccc(C(=O)/C=C/c2ccncc2)cc1 9335880 TZTOMGCDFBAGDX-ZZXKWVIFSA-N 234.258 2.849 30 40 BFEB N#C[C@H](C(=O)C(F)(F)F)c1cccc(F)c1 34975686 FOUMVZVGGDRKNQ-QMMMGPOBSA-N 231.148 2.564 30 40 BFEB N#Cc1ccc(NCCc2ccccc2)c(N)c1 35674374 WRSVDZFXERWVQH-UHFFFAOYSA-N 237.306 2.795 30 40 BFEB N#Cc1c(Cl)ncnc1Nc1ccccc1 225740309 HKCAWDMSBSONPI-UHFFFAOYSA-N 230.658 2.745 30 40 BFEB C=CCCC(=O)N1C[C@H](C)C[C@H](C)[C@H]1C 252585930 MENCDQYKGOTJRY-GRYCIOLGSA-N 209.333 2.846 30 40 BFEB CCc1nc(S[C@H](C#N)c2ccccc2)n[nH]1 562964728 NSCPPACZTMBKKM-SNVBAGLBSA-N 244.323 2.724 30 40 BFEB CCCCCCCNC(=O)c1ccco1 2476426 UWWPDEMIIPFLRJ-UHFFFAOYSA-N 209.289 2.980 30 40 BFEB COc1ccccc1/C=N/c1c(C)nn(C)c1C 2740524 NKUNVTGVFOKACA-OQLLNIDSSA-N 243.310 2.796 30 40 BFEB Cc1csc(N/N=C/c2ccc(O)cc2)n1 6218846 VRCGCAVUCYMXRI-WUXMJOGZSA-N 233.296 2.603 30 40 BFEB Cc1occc1C(=O)Nc1cccc(C#N)c1 7667550 AOOAHKVFPLAOPI-UHFFFAOYSA-N 226.235 2.712 30 40 BFEB CN/C(=N/c1ccnn1C(C)C)c1ccccc1 13150358 KQIGIIARTPQUEH-UHFFFAOYSA-N 242.326 2.762 30 40 BFEB in-vitro Nc1ccccc1/N=C/c1cccc([N+](=O)[O-])c1 18044948 OOKWLKHNHWCWLL-OQLLNIDSSA-N 241.250 2.928 30 40 BFEB O/N=C/c1ccc(N2CCc3ccccc32)nc1 72225801 KACYDCFYPRILGD-MHWRWJLKSA-N 239.278 2.584 30 40 BFEB O=[N+]([O-])c1cccc(-c2ccc(/C=N\O)o2)c1 100558854 OQNFGUGJYRQEJL-GHXNOFRVSA-N 232.195 2.663 30 40 BFEB c1ccc2c(c1)[C@@H]1[C@@H]3C4C5[C@@]16C[C@H]1O[C@@H]1C[C@]56[C@H]2[C@@H]43 104289964 QOAVIKPCPRLNQD-DNJBQGKWSA-N 248.325 2.921 30 40 BFEB Cc1ccc([N+](=O)[O-])cc1/N=C/c1ccc[nH]1 65903 HAXCXPMEINBEDH-RIYZIHGNSA-N 229.239 2.982 30 40 BFEB c1ccc(/N=C2/NCCCCS2)cc1 12341647 ZRLLGZXMGFLFHR-UHFFFAOYSA-N 206.314 2.791 30 40 BFEB N#Cc1ccc(S)cc1C(F)(F)F 36805530 IWZHVFBVXGOFHM-UHFFFAOYSA-N 203.188 2.866 30 40 BFEB in-vitro CCN(C[C@H](C)C#N)C(=O)c1sccc1C 42295908 SHAHTTNDQMBAHO-SECBINFHSA-N 236.340 2.678 30 40 BFEB CN(CC1CC1)c1snc(Cl)c1C#N 83859094 IAPDFBRQMRCJIB-UHFFFAOYSA-N 227.720 2.514 30 40 BFEB C[C@H](CCc1cccc(F)c1)N(C)CC#N 97370742 GHJXXUKGSYYBFH-LLVKDONJSA-N 220.291 2.602 30 40 BFEB CC[C@H](C#N)SCCC(=O)OC(C)(C)C 225641507 KGKVOCQYCWYGPH-SECBINFHSA-N 229.345 2.754 30 40 BFEB N#Cc1ccccc1CC(=O)c1ccccc1 1433098 SBWAMTWLDTZJDO-UHFFFAOYSA-N 221.259 2.984 30 40 BFEB C[N+]1(C)CCC[C@@](C#N)(c2ccccc2)CC1 1593298 YWGSRELTNDVXPS-OAHLLOKOSA-N 229.347 2.708 30 40 BFEB CCOS(=O)(=O)c1ccc(C(C)(C)C)cc1 3162396 PBFSAXBNEJICKS-UHFFFAOYSA-N 242.340 2.709 30 40 BFEB CC(=O)Nc1sc2c(c1C#N)C[C@@H](C)CC2 4070044 RKWQZVUXWRIOGX-ZETCQYMHSA-N 234.324 2.703 30 40 BFEB C=CCN1C2=NCCCN2c2cc(C)c(C)cc21 5330645 KDLSSPKVCJLUAF-UHFFFAOYSA-N 241.338 2.876 30 40 BFEB C=C1CSc2nc3nc4ccccc4c-3nn21 8844785 RZKLQSFXEZHOLW-UHFFFAOYSA-N 240.291 2.508 30 40 BFEB Nc1ccc(C(=O)/C=C\c2ccccn2)cc1 31623467 IQLLDNFSIXBVLW-HJWRWDBZSA-N 224.263 2.560 30 40 BFEB CC1(C)OB(/C=C/c2ccco2)OC1(C)C 307376838 BYMFJKPCMNSXKV-BQYQJAHWSA-N 220.077 2.924 30 40 BFEB N#Cc1c(F)cccc1N1CCCCC1 159335 YJYYPEGBLDGHPJ-UHFFFAOYSA-N 204.248 2.688 30 40 BFEB Cc1nnc(NCC2CCCCC2)c(C#N)c1C 29359878 UOSABNVLGMQLGZ-UHFFFAOYSA-N 244.342 2.957 30 40 BFEB C[C@@H](C#N)C(=O)c1ccc(Br)cc1 36935053 UUJYMMCEBGPRLY-ZETCQYMHSA-N 238.084 2.791 30 40 BFEB Cc1nn(C)cc1C(=O)/C=C/c1cccs1 47380182 LSTOKBDGNMTFLV-AATRIKPKSA-N 232.308 2.686 30 40 BFEB C=CC[C@H](O)c1cc(F)c(F)c(OC)c1 95731574 GNAPIFPQQNPQLG-VIFPVBQESA-N 214.211 2.583 30 40 BFEB N/C(=C\C(=O)c1ccc(Cl)cc1)C(F)(F)F 101654741 BMXJNQMRQNWOOC-UITAMQMPSA-N 249.619 2.928 30 40 BFEB C#CCCCCCCCCCP(=O)(O)O 238713350 BIZPDRIJJPZLIK-UHFFFAOYSA-N 232.260 2.918 30 40 BFEB COc1c(Cl)cc(/C=N/O)cc1Cl 253578596 YNPYHGQQPWZXBE-NYYWCZLTSA-N 220.055 2.810 30 40 BFEB C#Cc1cccc(Oc2ccncc2C#N)c1 685937284 GFZQINOEGZQHQF-UHFFFAOYSA-N 220.231 2.727 30 40 BFEB CCCCCCCCOCC(=O)OC 1566427 LZSFRODOQOTONZ-UHFFFAOYSA-N 202.294 2.537 30 40 BFEB Cc1ccc(/C=C/C(=O)[C@@H](C)CN(C)C)cc1 1590723 VLLQNQJORILGPQ-LXKVQUBZSA-N 231.339 2.775 30 40 BFEB C=CCCC(=O)c1ccc2c(c1)OCO2 38312935 YZKASPJWMUSMGS-UHFFFAOYSA-N 204.225 2.564 30 40 BFEB CCc1ccc(C(=O)N[C@@](C)(C#N)CC)cc1 40357896 VFNKJTXHGDOFFN-CQSZACIVSA-N 230.311 2.671 30 40 BFEB N#Cc1cnn(C[C@@H]2C[C@H]2c2ccccc2)c1 95093965 BVSIYCHIUJLXPR-KBPBESRZSA-N 223.279 2.558 30 40 BFEB N#Cc1cncc(-c2ccncc2)c1Cl 96510545 NOQBGWNXNFSUKH-UHFFFAOYSA-N 215.643 2.669 30 40 BFEB O=C[C@@H]1C[C@@H]1c1cccc(Br)c1 96530100 PMWAAQNRSYMNAH-WCBMZHEXSA-N 225.085 2.752 30 40 BFEB CCCCC[C@H]1/C(=N\O)CC[C@H]1CC(=O)OC 100742290 NMOXUEJWSISUMP-LLEOHVOKSA-N 241.331 2.986 30 40 BFEB biogenic CC1(C)OB(C2=C3N=CC=C3C=CC2)OC1(C)C 299803665 NIQJPMBXGAPWBW-UHFFFAOYSA-N 243.115 2.843 30 40 BFEB Cc1ccc(/N=C/c2ccccc2O)nc1 3161598 WHTPNMZDYZCRIN-OQLLNIDSSA-N 212.252 2.846 30 40 BFEB C=C(c1ccccc1)[C@@H](C)C(=O)OCC 5064363 XTHJALYHLDJHSB-LLVKDONJSA-N 204.269 2.899 30 40 BFEB COC(=O)c1ccc(-c2ccccc2C#N)o1 22124232 DHPYMMGZVDUWRT-UHFFFAOYSA-N 227.219 2.605 30 40 BFEB N#CC[C@@H]1CCCN1C(=O)OCc1ccccc1 26895428 DBEGMXHOBRLDCW-ZDUSSCGKSA-N 244.294 2.701 30 40 BFEB CC(C)(C)OC(=O)N[C@H](CC=O)c1ccccc1 34464150 ZGPCDZZHEWGTEU-GFCCVEGCSA-N 249.310 2.841 30 40 BFEB in-vitro CCCCCCCCN1CCNC[C@@H]1C 100413421 IIRUIBIYTGQFNM-ZDUSSCGKSA-N 212.381 2.641 30 40 BFEB C=CCN(Cc1ccc(CO)o1)c1ccccc1 191971940 VIQSHLFLWXWQDO-UHFFFAOYSA-N 243.306 2.965 30 40 BFEB CCC[C@@H]1CC(=O)C=C(C)[C@@H]1C(=O)OCC 1687940 KDIZYDOQEYHUCP-PWSUYJOCSA-N 224.300 2.501 30 40 BFEB C#CCCN(C)C(=O)C[C@@H](c1ccco1)C(C)C 2342299 XWVBHRPRLNHDJG-CYBMUJFWSA-N 247.338 2.891 30 40 BFEB N#Cc1nc(-c2ccccc2)oc1N1CCCC1 4193147 JLLPISUECLTOCD-UHFFFAOYSA-N 239.278 2.813 30 40 BFEB O=C1/C(=C/c2cccnc2)Cc2ccccc21 4774150 UCAONOPVOXJPQZ-MDWZMJQESA-N 221.259 2.904 30 40 BFEB COc1cccc(Nc2ccc(N)cc2C#N)c1 20135111 SVXFCOLQSRXOKU-UHFFFAOYSA-N 239.278 2.893 30 40 BFEB CC(C)(C)c1cc(N)n(-c2cccc(C#N)c2)n1 35779292 PLBIIYNGXZDKGO-UHFFFAOYSA-N 240.310 2.624 30 40 BFEB CC(C)[C@H]1CCCN(c2nccnc2C#N)CC1 71029204 GVQPZOPTMCURCU-LBPRGKRZSA-N 244.342 2.611 30 40 BFEB CCN(CC)/C(=N\Nc1ccc(C)cc1)C(C)=O 100186781 WPLMISYLGISRND-PEZBUJJGSA-N 247.342 2.651 30 40 BFEB C=CCn1c(CC(C)C)ccc1C(=O)O 226023211 TZKIDFRKSOKALU-UHFFFAOYSA-N 207.273 2.571 30 40 BFEB C=CCN1C(=O)c2cccc3cccc(c23)C1=O 4419318 SMFVXTGRZACURO-UHFFFAOYSA-N 237.258 2.622 30 40 BFEB N#CCCCn1cc(C=O)c2ccccc21 7467952 PKIDGCHESPLRQY-UHFFFAOYSA-N 212.252 2.758 30 40 BFEB Nc1ccccc1C(=O)/C=C\c1ccccc1O 17198034 IUQMJWRUXHOYJG-KTKRTIGZSA-N 239.274 2.871 30 40 BFEB O=CC[C@H]1CCCCN1Cc1ccccc1 34217392 GFLCFWIJWNDRSA-CQSZACIVSA-N 217.312 2.630 30 40 BFEB COc1cccc(C(F)(F)F)c1CC#N 38529860 IPXXNDJVHVVBJH-UHFFFAOYSA-N 215.174 2.780 30 40 BFEB C=C(C)CN1CCC[C@@H](N2CCCCC2)C1 69586836 DUVJEBUJISEXCA-CQSZACIVSA-N 222.376 2.513 30 40 BFEB C=CCNC(=O)N1CC[C@H](c2cccc(F)c2)C1 71856586 XQHGXQIOUDIMIS-LBPRGKRZSA-N 248.301 2.511 30 40 BFEB CCCOc1cc(O)c(C#N)cc1Cl 72219816 RZGAYTGKEUQGBE-UHFFFAOYSA-N 211.648 2.706 30 40 BFEB CCCCn1nc(C2CCCC2)c(C#N)c1N 225831879 RNOVUSDENIJNKL-UHFFFAOYSA-N 232.331 2.795 30 40 BFEB C=CCn1c(CC(C)C)ccc1C(=O)OC 226023229 LAVWLCJQRPJPHC-UHFFFAOYSA-N 221.300 2.659 30 40 BFEB N#CCCn1c(Cl)nc2ccccc21 2291553 CMKKSMJRSDZZBF-UHFFFAOYSA-N 205.648 2.603 30 40 BFEB CC(C)=N/N=c1/sc2ccccc2n1C 5283318 RPVXHIUJWZMKNB-ACCUITESSA-N 219.313 2.536 30 40 BFEB Cc1cccc(/C=C\C(=O)[C@H](C)CN(C)C)c1 17175550 HWQBZSPRWAFEEK-LJTDUEICSA-N 231.339 2.775 30 40 BFEB N#C[C@@H](N)c1ccc(OCc2ccccc2)cc1 22209586 WGTALOBHAWUYTB-OAHLLOKOSA-N 238.290 2.789 30 40 BFEB C=CCNC(=O)c1ccc(C)c(-n2cccc2)c1 22242771 AFSAGSRKOMCDCH-UHFFFAOYSA-N 240.306 2.702 30 40 BFEB CN(C)/C=C/c1onc(-c2ccccc2)c1C#N 49581129 AGJHGAJHGLQLHV-CMDGGOBGSA-N 239.278 2.746 30 40 BFEB N#CCC(=O)c1cccn1-c1ccc(F)cc1 85396826 VUNGDOFRCFFWOC-UHFFFAOYSA-N 228.226 2.713 30 40 BFEB N#CCCN(Cc1ccc(O)cc1)CC1CCC1 195575837 CYHIKAQQYNRBJU-UHFFFAOYSA-N 244.338 2.908 30 40 BFEB CCCCOc1c(N)cc(C#N)n1CCC 225874081 AIRHOBHIIUSEEY-UHFFFAOYSA-N 221.304 2.531 30 40 BFEB CCn1c(C#N)ccc1Cc1ccco1 226031162 BFDCXEYCUZNCTD-UHFFFAOYSA-N 200.241 2.563 30 40 BFEB C=C1CCC(NC(=O)c2scnc2C)CC1 618257170 QOPKEVHWHIWTPR-UHFFFAOYSA-N 236.340 2.680 30 40 BFEB CC(C)[C@@H](C#N)c1ccc([N+](=O)[O-])cc1 40376 AGMHEAQVTJWMBC-LLVKDONJSA-N 204.229 2.858 30 40 BFEB Cc1cccc(-c2ccnc3c(C#N)cnn23)c1 2785605 CKMAHHVZMHOADP-UHFFFAOYSA-N 234.262 2.576 30 40 BFEB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CC#N 3846262 KCZNYQIXVJEFPW-IJLUTSLNSA-N 223.316 2.904 30 40 BFEB biogenic CC(C)(O)C#CC[C@@]1(C)CC1(Cl)Cl 5530937 WZJMDKUIEIBYNU-VIFPVBQESA-N 221.127 2.735 30 40 BFEB Cc1ccoc1C(=O)Nc1cccc(C#N)c1 16960923 WTDYTRUHMXRGGR-UHFFFAOYSA-N 226.235 2.712 30 40 BFEB COc1ccc(CC#N)c(C(F)(F)F)c1 38529806 UIQKAYWWWFKAKU-UHFFFAOYSA-N 215.174 2.780 30 40 BFEB CCN(C[C@@H](C)C#N)C(=O)c1ccc(C)s1 42295913 NEPTXXQUVJGBEH-VIFPVBQESA-N 236.340 2.678 30 40 BFEB CCN(CC)CC#Cc1ccc(F)c(F)c1 95631864 SXTNTTKDESEUDS-UHFFFAOYSA-N 223.266 2.658 30 40 BFEB CC(C)(CO)/N=C\c1ccc(Cl)cc1 100523423 NZAYXMRGZVTQMW-QPEQYQDCSA-N 211.692 2.530 30 40 BFEB CC(C)(O)C#CC[C@H]1C[C@H]2C=C[C@H]1CC2 101633839 FDBFQDFYWXKSEH-AVGNSLFASA-N 204.313 2.753 30 40 BFEB CCN(CC)C(=N[Si](C)(C)C)N(CC)CC 196519712 ICZHKSUFTDGRRY-UHFFFAOYSA-N 243.471 2.861 30 40 BFEB CC(C)(C)OC(=O)N1CC[C@H](C#N)CC12CC2 261358334 WGZBVAGMZJVHSG-JTQLQIEISA-N 236.315 2.690 30 40 BFEB CC(C)/C(=N\[N+](C)(C)C)c1ccccc1 12495414 UCOCRPQUUKUJSR-BUHFOSPRSA-N 205.325 2.753 30 40 BFEB in-vitro N#CC[C@H](C#N)c1ccc(Br)cc1 41264878 ZBDOFUOVIWTPCZ-SECBINFHSA-N 235.084 2.970 30 40 BFEB C=CCNC(=O)[C@@H](CCC)c1ccccc1 44867022 DQCHDZWGRVKTPV-ZDUSSCGKSA-N 217.312 2.873 30 40 BFEB CN(C)/C=C\C(=O)c1ccc(OC(F)F)cc1 51467964 BWMZYULNGCTDMB-FPLPWBNLSA-N 241.237 2.546 30 40 BFEB C[C@@H](C#N)CNCC[C@@H](C)c1ccccc1 54181872 TWQGHZWRPWTFBH-QWHCGFSZSA-N 216.328 2.929 30 40 BFEB CC(C)N(CC#N)C(=O)CC1=CCCCC1 89869510 BLIASSZLKLAPPT-UHFFFAOYSA-N 220.316 2.637 30 40 BFEB C#CC[C@@H](OC(=O)c1scnc1C)C(C)C 95406077 MRZCRODZTYLQHF-SNVBAGLBSA-N 237.324 2.656 30 40 BFEB CC(C)c1ccc(C#CCN(C)C)cc1 95633098 OCJKJXDUCCZQSN-UHFFFAOYSA-N 201.313 2.723 30 40 BFEB Cc1cccc(/C=N/c2ccccc2C(N)=O)c1 17889502 QMEURLHUGAKGMD-LICLKQGHSA-N 238.290 2.845 30 40 BFEB N/C(CCCOc1cccc2ccccc12)=N\O 19429604 UDCGHGNFBFOUPQ-UHFFFAOYSA-N 244.294 2.745 30 40 BFEB COc1c(C#N)cc(C)c(C)c1Br 57340069 PQURJXIJWWKRAJ-UHFFFAOYSA-N 240.100 2.946 30 40 BFEB N#Cc1nc(Cl)c(Cl)cc1Cl 71256527 TZISAZPGPRGMRS-UHFFFAOYSA-N 207.447 2.913 30 40 BFEB in-vitro N#CCCCNC1(c2ccccc2F)CC1 96491957 NNQSFJQCZZDXQB-UHFFFAOYSA-N 218.275 2.708 30 40 BFEB CC[C@@H]1CCCCN1[C@@H]1/C(=N/O)[C@H]2CC[C@H]1C2 257345262 FVJURVRWXRJNLR-DVJPSXRESA-N 236.359 2.880 30 40 BFEB C=CCNC(=O)c1cc(Cl)cc(Cl)c1 3134519 NVTJRCJUDHDHMV-UHFFFAOYSA-N 230.094 2.909 30 40 BFEB O=[S@@](ONc1ccccc1)c1ccccc1 4791852 RMRDINRQAICTLI-MRXNPFEDSA-N 233.292 2.753 30 40 BFEB CC(C)=C1Oc2c(ccc(O)c2C)C1=O 40162800 JGXZTJOAESABNX-UHFFFAOYSA-N 204.225 2.570 30 40 BFEB biogenic N#Cc1cnn(-c2cccc(Br)c2)c1 44154472 WNHKJPZZKLEFOE-UHFFFAOYSA-N 248.083 2.506 30 40 BFEB N#Cc1cc(Cl)ccc1NC1CCC(N)CC1 91843534 BVRQDJUMJLHBAY-UHFFFAOYSA-N 249.745 2.893 30 40 BFEB N#C[C@H]1[C@H]2CC[C@H]([C@H]1C#N)[C@@H]1[C@H]2N1c1ccccc1 102865932 ZBELJUULTIMALZ-GKFQEUGKSA-N 249.317 2.563 30 40 BFEB O=C1C2=C(SCCS2)C(=O)c2ccccc21 1685892 IVQJELKILULDFK-UHFFFAOYSA-N 248.328 2.757 30 40 BFEB CO/N=C(/C(=O)c1ccccc1)c1ccccc1 8627816 KJMUCDXADVDWBG-JQIJEIRASA-N 239.274 2.920 30 40 BFEB N#Cc1ccc(COCC(F)(F)F)cc1 9738203 AGDUWMCXCPMUCR-UHFFFAOYSA-N 215.174 2.637 30 40 BFEB CC(C)[C@H](C)NC(=O)CCc1ccc(C#N)cc1 10749525 WSMDFQAAKQVYMI-LBPRGKRZSA-N 244.338 2.652 30 40 BFEB CCCCCCCC[C@@H]1C[C@H]1C(=O)NO 98007383 WRPQMDNDRIIPNA-GHMZBOCLSA-N 213.321 2.879 30 40 BFEB O/N=C1/CCC[C@H]1N1CCCc2ccccc21 100986917 WKHGUDQTJHQWHU-QAALXFNPSA-N 230.311 2.822 30 40 BFEB N#Cc1cccc2c1[C@@H]1[C@H]3[C@H]4C=C[C@H]4[C@@H]2[C@@H]31 104286250 SPIAMXPAJFUTRW-NMVPSPRLSA-N 205.260 2.801 30 40 BFEB C[Si](C)(C)C#Cc1ccc(C=O)s1 169949687 ZQHWKWCIFQDDIJ-UHFFFAOYSA-N 208.358 2.790 30 40 BFEB CC(C)[C@H](CNC(=O)CC#N)Cc1ccccc1 189021179 WQAZAPMHKBPVOF-AWEZNQCLSA-N 244.338 2.531 30 40 BFEB C=CC[C@H](O)/C=C/c1ccc(OC)cc1 199532173 NQZFURRAMALGHE-ZCRIDZFUSA-N 204.269 2.645 30 40 BFEB CCCn1ccc(C#C[Si](C)(C)C)n1 216572420 MORCWGVVNCKYAU-UHFFFAOYSA-N 206.365 2.522 30 40 BFEB CCCOc1cc(Cl)c(C#N)cc1[N+](=O)[O-] 225726886 FQIRBQOKYAUDMI-UHFFFAOYSA-N 240.646 2.909 30 40 BFEB CCC[C@H]1N=C(SC)N(C)C(C)=C1C(C)=O 408730803 IRHLTVNKOVXJFI-SNVBAGLBSA-N 240.372 2.683 30 40 BFEB C=CCn1c(-c2ccccc2)ccc(C#N)c1=O 1402938 WERKLXJPXQLJPJ-UHFFFAOYSA-N 236.274 2.573 30 40 BFEB C=C(C)C(=O)OCCOc1ccc(Cl)cc1 2571923 QTAUFBJJZSLYDM-UHFFFAOYSA-N 240.686 2.838 30 40 BFEB O=C1CCCC2=C1[C@@H](c1ccccc1)/C(=N\O)O2 17104711 VHQDEJKTZUTIGP-XROPSADXSA-N 243.262 2.595 30 40 BFEB CCSCC[C@@H](C)N(C)c1ccc(C#N)cn1 74770772 JTMDBZXFMNHDRV-LLVKDONJSA-N 249.383 2.921 30 40 BFEB CCSCC[C@H](C)N(C)c1ccc(C#N)cn1 74770775 JTMDBZXFMNHDRV-NSHDSACASA-N 249.383 2.921 30 40 BFEB CC(C)(C)OC(=O)N1CCC(CCS)CC1 95083799 ZOTSQAZEOQINKD-UHFFFAOYSA-N 245.388 2.953 30 40 BFEB Cc1ccc(C#CC[C@H](C)O)cc1Cl 95631653 YCFDKDSHKWGIIG-JTQLQIEISA-N 208.688 2.771 30 40 BFEB CC[C@@H](NCC#N)c1ccccc1OC(F)F 195549617 YTDUSMPTEREZHU-SNVBAGLBSA-N 240.253 2.852 30 40 BFEB N#CC(F)(F)c1nc2cc(Cl)ccc2[nH]1 252500915 TZFMJHLPRSGTPO-UHFFFAOYSA-N 227.601 2.832 30 40 BFEB CCN/C(S)=N/N=C\C=C\c1ccccc1 4483042 MDXYPQFEKROPGZ-NHZNEZGNSA-N 233.340 2.581 30 40 BFEB COc1ccccc1/C=N\N=C/c1ccco1 8637352 FJUGALZOMBNFCB-TYPNBTCFSA-N 228.251 2.741 30 40 BFEB CC/C=C(/C)[C@@](C#N)(CC)C(=O)OCC 16925374 WGRSGSSXYRCXSF-CUZBXDDWSA-N 209.289 2.826 30 40 BFEB CC(C)n1c(C#N)cc(N)c1N1CCCCC1 225865083 LCPNQAPNALQKQO-UHFFFAOYSA-N 232.331 2.513 30 40 BFEB C[C@H]1CC[C@H](C)N1CC#CCN1[C@@H](C)CC[C@H]1C 1599827 ZOBJQBSGGXBNDB-YHUYYLMFSA-N 248.414 2.735 30 40 BFEB CCOC(=O)C[C@H](/C(C)=N\O)c1ccccc1 13115854 TWIXQRGVRJUYDZ-XTCQQWIJSA-N 235.283 2.574 30 40 BFEB O=[N+]([O-])c1ccc(N/N=C2\C[C@H]3C=CC[C@H]23)cc1 20823176 DWBVNUYMYUVDPD-MCMKARFMSA-N 243.266 2.959 30 40 BFEB C=C(C)CN(CC)Cc1noc(C(C)(C)C)n1 51559844 RGAJWGBRWHYGIC-UHFFFAOYSA-N 237.347 2.765 30 40 BFEB COC(=O)[C@@]1(C)O[C@]1(C)c1cccc(Cl)c1 85657704 JDGYUFHKSLPQQX-VXGBXAGGSA-N 240.686 2.517 30 40 BFEB CCOC(=O)[C@@]1(CC)O[C@@]1(CC)C(C)C 86166022 XURXWESNUJXYDV-NWDGAFQWSA-N 214.305 2.533 30 40 BFEB C[C@@H]1CCC[C@@H](C)N1[C@@H]1/C(=N/O)[C@H]2CC[C@H]1C2 257345260 FJTNUHLQJBBRRC-UUIHDDBISA-N 236.359 2.878 30 40 BFEB CC(C)c1ccc([C@@H]2CNC[C@H]2C#N)cc1 409422456 GCGWYBFXZBZMLB-KGLIPLIRSA-N 214.312 2.637 30 40 BFEB C[C@H](CN(C)C)C(=O)/C=C/c1ccc(F)cc1 1607760 DDVWHTGQDYPNQO-OALRPVAKSA-N 235.302 2.606 30 40 BFEB C=CCc1cc2c(cc1OCCC)OCO2 1652133 QUXUSWRLFAQXRJ-UHFFFAOYSA-N 220.268 2.933 30 40 BFEB C/C(=N/Nc1ccc([N+](=O)[O-])cn1)C(C)(C)C 5412381 NSLRZVHITPZOFI-JYRVWZFOSA-N 236.275 2.824 30 40 BFEB O/N=C/c1ccc(Cc2ccccc2)o1 16953099 BSPQWRTYKWHYSW-UKTHLTGXSA-N 201.225 2.679 30 40 BFEB CSc1ccc(/C=C2/C(=O)ON=C2C)cc1 32256527 RHZAVLPYPYVIKW-YRNVUSSQSA-N 233.292 2.725 30 40 BFEB Cc1cc(C#CCCCO)ccc1Cl 95631701 DMIGALCZTZYIAG-UHFFFAOYSA-N 208.688 2.772 30 40 BFEB CC(C)(C)[C@](C)(C#N)NC(=O)c1ccsc1 95997541 MHKUMBSJHLZZGW-LBPRGKRZSA-N 236.340 2.806 30 40 BFEB CC(C)Oc1ccc(N/C(N)=N/[C@@H]2C[C@@H]2C)cc1 104174199 DIFJRWZTBPUZIN-GXFFZTMASA-N 247.342 2.609 30 40 BFEB C=C(C)C(=O)c1cc(F)c(F)c(OC)c1 379775391 MLXNGZCFMQVPJV-UHFFFAOYSA-N 212.195 2.732 30 40 BFEB Cc1cc(/C=N/c2ccco2)c(C)n1C 408782357 HHCPIUPQDBLGMR-MDWZMJQESA-N 202.257 2.986 30 40 BFEB C=C1CCCN(Cc2csc(C)n2)C1 575606599 NGXPSKOTXHLGAD-UHFFFAOYSA-N 208.330 2.604 30 40 BFEB COc1ccc(/N=C/c2cccc(O)c2O)cc1 293368 VHFKMUWSCDRBOD-OQLLNIDSSA-N 243.262 2.857 30 40 BFEB CCn1cc(/C=C/C(=O)c2ccc(C)o2)cn1 6637023 CAMKEJCHSDEUHL-AATRIKPKSA-N 230.267 2.701 30 40 BFEB CC(C)(C)n1nc(-c2ccccc2)c(C#N)c1N 39077143 GKWLZKXCCKYMKG-UHFFFAOYSA-N 240.310 2.759 30 40 BFEB Cc1cc(C)n(C2CCCCC2)c(=O)c1C#N 45922573 FGLRNJVEDKMDTK-UHFFFAOYSA-N 230.311 2.842 30 40 BFEB CCN(CC#N)C(=O)CCSc1ccccc1 68241709 QGGAXKRXZXELTG-UHFFFAOYSA-N 248.351 2.541 30 40 BFEB N#C[C@H]1CCCC[C@H]1OC(=O)C1CCCC1 78612063 MKWRPFNJQYLXSL-VXGBXAGGSA-N 221.300 2.802 30 40 BFEB C(=N/c1nccs1)\c1cccc2c1OCOC2 101670216 NYRUSHJIKWTBOA-MKMNVTDBSA-N 246.291 2.760 30 40 BFEB C=CCn1c(C#N)cc(N)c1Oc1ccccc1 225878685 FNEZTUQOVVHKBK-UHFFFAOYSA-N 239.278 2.920 30 40 BFEB CC(C)(C#CC[C@@H]1C[C@H]2C=C[C@H]1C2)OC[C@H]1CO1 230316280 QXCQGMCSHFXREC-APIJFGDWSA-N 246.350 2.786 30 40 BFEB CC1(C)CC(=O)C=C(Nc2ccc(N)cc2)C1 4871404 CLJDTLQUZQBTOD-UHFFFAOYSA-N 230.311 2.954 30 40 BFEB O/N=C1\[C@H]2CCC[C@@H]1CC[C@@H]2N1CCCCC1 5376060 UEMQBUNIAKDORY-OFKZWOCFSA-N 236.359 2.881 30 40 BFEB CN(C)/C=N/c1cc2c3c(c1)CCCN3CCC2 18085941 BHRUROHXOGDXAK-LFIBNONCSA-N 243.354 2.607 30 40 BFEB COc1ccc(-c2cc(C)nc(N)c2C#N)cc1 19832451 IZMPTUJWAJBBHR-UHFFFAOYSA-N 239.278 2.520 30 40 BFEB CCCCCCNC(=O)c1ccc(C#N)c(C)n1 36396633 MHPQDLJZRAOZCF-UHFFFAOYSA-N 245.326 2.572 30 40 BFEB CC(=O)/C=C1/Nc2cc(C)c(C)cc2O1 40546014 LJOOSNYAIKLARX-SDQBBNPISA-N 203.241 2.538 30 40 BFEB C=C(C)CN(CC)C(=O)c1ccsc1 55206543 LMHXWTLKUUUFGQ-UHFFFAOYSA-N 209.314 2.786 30 40 BFEB N#C[C@H](CO)Cc1cccc2ccccc12 63064073 DOZQWQFFVDVOQP-LLVKDONJSA-N 211.264 2.514 30 40 BFEB CO/C=C(\F)C(=O)Sc1ccccc1 98175127 GOAYAVHXZMXHLR-CLFYSBASSA-N 212.245 2.763 30 40 BFEB C#CC[C@](C)(O)c1ccc(OC(F)(F)F)cc1 575447607 CWWNGAHKIMGVAH-NSHDSACASA-N 244.212 2.816 30 40 BFEB N#Cc1ccc2c(c1)C(=O)c1ccccc1-2 1673251 RMZLHDBVSQZQMT-UHFFFAOYSA-N 205.216 2.770 30 40 BFEB C/C(=N\O)C(C)(C)N(O)Cc1ccccc1 5289674 XUGQBCUASMKMFM-JLHYYAGUSA-N 222.288 2.507 30 40 BFEB CN(C1CCCCC1)[C@@H]1/C(=N/O)[C@H]2CC[C@@H]1C2 5674871 CIMIGKAAHGMWNY-MQPBCWPUSA-N 236.359 2.880 30 40 BFEB C=CCOc1ccc(CNCCC)cc1 6430931 ALINXKMJWUUQNA-UHFFFAOYSA-N 205.301 2.751 30 40 BFEB C=CCn1c(C)nnc1SCCCC 20425345 MUSQARABLQIXFI-UHFFFAOYSA-N 211.334 2.665 30 40 BFEB CCOC(=O)[C@H](C#N)c1ccc(Cl)cc1 38534310 NZMYLLIHPJDUNT-SNVBAGLBSA-N 223.659 2.510 30 40 BFEB CCc1ccc(C#C[C@@](C)(O)CC)cc1 95632158 XBMSKXWVBOQCMD-AWEZNQCLSA-N 202.297 2.762 30 40 BFEB CC(C)(C)C(=O)/C=C(\O)C(F)(F)C(F)F 102484275 HUODZZMORHDPMN-XQRVVYSFSA-N 228.185 2.944 30 40 BFEB C=C[C@H](CC(=O)OCC)[Si](C)(C)C 197469251 BWZNCQMWEJSNLG-SECBINFHSA-N 200.354 2.834 30 40 BFEB CCCOc1ccc(/C=C2/C(=O)ON=C2C)cc1 408939280 MEBPXBVNDRUEAS-UKTHLTGXSA-N 245.278 2.792 30 40 BFEB C=CCOC(=O)[C@@H]1CC(C)=C[C@@H](C)[C@H]1C 1677160 FRKAESKGYSBYQG-IJLUTSLNSA-N 208.301 2.954 30 40 BFEB C1CC(=NN=C2CCSCC2)CCS1 4705945 UFQPKVHNKHGBPX-UHFFFAOYSA-N 228.386 2.837 30 40 BFEB N#Cc1ccc(/C=C/C(=O)c2cccnc2)cc1 5128286 ILHFBPUXQADJQV-BQYQJAHWSA-N 234.258 2.849 30 40 BFEB C[C@@H](S)c1ccc2c(c1)OCCCO2 20476644 SLJTTWCJTHCCAX-MRVPVSSYSA-N 210.298 2.839 30 40 BFEB CC[C@H](C#N)N[C@H](C)Cc1ccccc1 31937857 XSFNXMWYXXKEGX-DGCLKSJQSA-N 202.301 2.509 30 40 BFEB Nc1cccc(C#Cc2ccc(F)c(F)c2)c1 37547844 CVTDTERNGGBVLT-UHFFFAOYSA-N 229.229 2.947 30 40 BFEB N#Cc1[nH]c2ccccc2c1Br 72319831 FRCQWPZGXKILDT-UHFFFAOYSA-N 221.057 2.802 30 40 BFEB CC(C)(O)C#Cc1ccc(OC(C)(C)C)cc1 95631416 WIWSIERAAMFWAQ-UHFFFAOYSA-N 232.323 2.986 30 40 BFEB CC[C@@](C)(O)C#Cc1ccc(Cl)c(F)c1 95633360 BEVPMIGGFBJKKN-GFCCVEGCSA-N 226.678 2.992 30 40 BFEB CC(C)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 203612398 BMZOIGOFHAFNEM-UHFFFAOYSA-N 247.147 2.504 30 40 BFEB C#CC[C@@H]1CN2CC[C@@H]1[C@@H](c1ccccc1)C2 223627265 GMHYBUWLMCQRPO-OWCLPIDISA-N 225.335 2.745 30 40 BFEB O=C(/C=C\c1ccccc1)[C@]12CCCC[C@H]1O2 575173145 NGZQTNPQEMVTTL-KMUBWGIJSA-N 228.291 2.981 30 40 BFEB CC(C)(C)C1=CC(=O)[C@](C#N)(C(C)(C)C)C1=O 2033390 YVGKZQRYZABJGL-AWEZNQCLSA-N 233.311 2.667 30 40 BFEB Cc1cc(Nc2ccccc2)n(CCC#N)n1 3239315 MHJFZJJXUXOKHM-UHFFFAOYSA-N 226.283 2.849 30 40 BFEB Cc1oc(-n2c(C)ccc2C)c(C#N)c1[C@@H](C)O 4207213 HGCIDHMLGPVGLU-SNVBAGLBSA-N 244.294 2.921 30 40 BFEB C=CCOC(=O)[C@@H]1CC(C)=C[C@H](C)[C@H]1C 4803886 FRKAESKGYSBYQG-QJPTWQEYSA-N 208.301 2.954 30 40 BFEB C/C(=N\Nc1ccccn1)c1cccs1 5694575 IQIODOIMEBNHJN-UKTHLTGXSA-N 217.297 2.979 30 40 BFEB C=CCNC(=O)Oc1ccc(C)c(C)c1 39433536 HMQMKQDCNZUHGE-UHFFFAOYSA-N 205.257 2.578 30 40 BFEB CCCN(CC#N)Cc1ccc(C)cc1 44347217 OBEPSNBRANOAOP-UHFFFAOYSA-N 202.301 2.731 30 40 BFEB C=C(C)CN(CC)C(=O)c1cccc(COC)c1 52819294 HUAJQRBKXIPPHD-UHFFFAOYSA-N 247.338 2.871 30 40 BFEB COc1ccc(C=NO)cc1C(F)(F)F 257352348 KQSBKKKSRDQAPA-UHFFFAOYSA-N 219.162 2.522 30 40 BFEB C=CC(C)(C)c1cc(C=O)c(O)cc1OC 514288087 NQCTZDWRJAXBST-UHFFFAOYSA-N 220.268 2.677 30 40 BFEB biogenic,in-vitro C#C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 521400825 CJVRIMIDHYKFLD-QWRGUYRKSA-N 223.316 2.655 30 40 BFEB O/N=C/c1ccc(C#Cc2ccccc2)cc1 161416 KXYAPNJEVXAHOP-FOWTUZBSSA-N 221.259 2.895 30 40 BFEB COc1ccc(Br)cc1CCC=O 1700845 VMDDRFMVXWCFRX-UHFFFAOYSA-N 243.100 2.589 30 40 BFEB O=C(/C=C\c1ccco1)c1ccc(O)cc1 12410363 UROHUHJEHDQADU-FPLPWBNLSA-N 214.220 2.881 30 40 BFEB N#Cc1ccc(N2CC[C@@H]2c2ccccc2)nc1 48365536 HEQOIEVUIUGIKP-CQSZACIVSA-N 235.290 2.905 30 40 BFEB c1cc(OC[C@@H]2CO2)c2c3c([nH]c2c1)CCCC3 65748318 CVDBWNJRBIYYOX-JTQLQIEISA-N 243.306 2.824 30 40 BFEB in-vitro CCOc1ccc(OCC)c(C(=O)CC#N)c1 84913390 JDSHMSOZSUXFLV-UHFFFAOYSA-N 233.267 2.580 30 40 BFEB COc1cc(F)c(C(F)(F)F)cc1C#N 238344847 CIQLHQXXZSMWIG-UHFFFAOYSA-N 219.137 2.725 30 40 BFEB N#Cc1cncc(OC2CCCCC2)c1 242495935 GTSMISPVIRQYEK-UHFFFAOYSA-N 202.257 2.665 30 40 BFEB C[C@H](/N=C1\CCCN1)c1ccc(F)cc1 2659790 MNEVCGXNOOAFPU-VIFPVBQESA-N 206.264 2.669 30 40 BFEB Cc1csc(N/N=C\c2cccs2)n1 4482783 GAHVWBBCLMJFJM-YHYXMXQVSA-N 223.326 2.959 30 40 BFEB C/C(=N\OCc1ccccc1)c1ccc[nH]1 11101653 VGBJBSPGIQMQSP-RVDMUPIBSA-N 214.268 2.956 30 40 BFEB C[C@]1(C(=O)/C=C/c2ccc(Cl)cc2)CO1 12410576 FTICWRZAOPJWHT-RPTYSRGTSA-N 222.671 2.711 30 40 BFEB C[C@@H]1CCCCN1c1ccc(C#N)cc1[N+](=O)[O-] 22124312 SVDVXYBPUPYGPS-SNVBAGLBSA-N 245.282 2.845 30 40 BFEB C[C@@H]1CCCN(C(=O)Nc2ccc(C#N)cc2)C1 45026959 UHVAYJFPXYLXLF-LLVKDONJSA-N 243.310 2.822 30 40 BFEB N#CCN(C(=O)[C@H]1CC12CCCC2)C1CCCC1 75091892 PYDDROFYZIAFKE-CYBMUJFWSA-N 246.354 2.861 30 40 BFEB C[C@@H](CC#N)OC(=O)C1=CCCCCC1 97164155 CWXFNPOVRBZXCC-JTQLQIEISA-N 207.273 2.722 30 40 BFEB N#CCCn1nc(-c2ccccc2)[nH]c1=S 6829685 ALDMEWRUNZATRA-UHFFFAOYSA-N 230.296 2.521 30 40 BFEB CCC/N=C/c1cc2ccccc2nc1O 9463765 HSTVOUIDNAUGLX-NTEUORMPSA-N 214.268 2.769 30 40 BFEB C/C(=C/C(=O)C(F)(F)C(F)(F)F)NC(C)C 13286711 YWNNITOXYMNPKM-XQRVVYSFSA-N 245.191 2.655 30 40 BFEB CC(C)(C)OC(=O)N1CCCC[C@@H]1CCC=O 38237473 UEYNLICYWSBRIO-LLVKDONJSA-N 241.331 2.755 30 40 BFEB COc1cccc(C(=O)CCCCC#N)c1 43212785 PAWZOASLRXDWBR-UHFFFAOYSA-N 217.268 2.962 30 40 BFEB C=CCc1ccccc1OCCNC1CC1 53042561 IDXQJNXXWMOBJU-UHFFFAOYSA-N 217.312 2.546 30 40 BFEB C=CCN(CC#N)Cc1ccc(Cl)s1 53399623 VLSGATOIWJZROR-UHFFFAOYSA-N 226.732 2.913 30 40 BFEB CC[C@@H](CC#N)NC(=O)c1ccc(Cl)cc1 54177133 PJKVAGSHARHQON-NSHDSACASA-N 236.702 2.762 30 40 BFEB NN=C1C[C@H](c2ccccc2)Oc2ccccc21 299888493 LTYOJFOTFBGRPP-OAHLLOKOSA-N 238.290 2.873 30 40 BFEB CCO/C(C)=N\c1nc2ccccc2[nH]1 16681949 SJJJIKFSGZKRMD-WQLSENKSSA-N 203.245 2.649 30 40 BFEB COc1cc(C#N)ccc1OCc1cccnc1 19515611 VNKCIMCHKRBEHL-UHFFFAOYSA-N 240.262 2.541 30 40 BFEB CCOc1cc(Cl)cc(C#N)c1OC(C)=O 20157669 QPUYBNMFLALLIC-UHFFFAOYSA-N 239.658 2.536 30 40 BFEB CC(F)(F)OCC(F)(F)C(F)(F)F 72265689 PBSQQVKWIVHMMV-UHFFFAOYSA-N 214.080 2.813 30 40 BFEB CC[C@@H]1C[C@H](C)CN1C[C@H](C#N)CCC#N 80660051 MKPAVUYJAQDDIT-RWMBFGLXSA-N 219.332 2.550 30 40 BFEB CC(=O)/C=C(\C)NCc1ccc(C)cc1 101153822 RPKDSWCBJNXYNM-DHZHZOJOSA-N 203.285 2.577 30 40 BFEB N#C[C@H]1CCC[C@@H]1NCc1ccc(Cl)nc1 216714395 KWQZBPXEJYTMPW-MNOVXSKESA-N 235.718 2.517 30 40 BFEB in-vitro CN1[C@H]2CC[C@H]1/C(=C/c1cccc(F)c1)C(=O)C2 252490985 LHCBUAUUBGMFPM-ZUTSKAEESA-N 245.297 2.645 30 40 BFEB CCOC(=O)[C@@](C)(C#N)C1=CCCCC1 4718903 ZEONYZULERIQDF-LBPRGKRZSA-N 207.273 2.580 30 40 BFEB Cc1cccc(CNc2ncccc2C#N)c1 12894433 WLJJKZLXEUBYGA-UHFFFAOYSA-N 223.279 2.874 30 40 BFEB Cc1cccc(Nc2ccc(N)cc2C#N)n1 20134905 HNRRSQXFKYTGQV-UHFFFAOYSA-N 224.267 2.588 30 40 BFEB Cc1nc(N/N=C\c2cccc(O)c2)sc1C 31854515 CBPAWTLHSJUOBD-QPEQYQDCSA-N 247.323 2.912 30 40 BFEB CC(=O)Nc1cc(C(C)(C)C)sc1C#N 91208412 HPQKCSAKUOYYOU-UHFFFAOYSA-N 222.313 2.876 30 40 BFEB OC1(C#Cc2ccc(Cl)cc2)CCCC1 95631822 CYADNXUYCLFAQO-UHFFFAOYSA-N 220.699 2.997 30 40 BFEB O=C(/C=C(\O)c1ccccn1)c1ccccc1 101816534 LLQYWXFHYXVLLS-UVTDQMKNSA-N 225.247 2.863 30 40 BFEB N#Cc1cn(-c2cccc(C(F)(F)F)c2)cn1 217745617 FWMMYRUVESTWRC-UHFFFAOYSA-N 237.184 2.763 30 40 BFEB N#Cc1c(F)ccc(F)c1C(F)(F)F 306604540 ZEDTVPMHGQUTRT-UHFFFAOYSA-N 207.101 2.855 30 40 BFEB CC1(C)OB(/C=C/Br)OC1(C)C 306716423 GCKFQNDKDMFCGM-AATRIKPKSA-N 232.914 2.526 30 40 BFEB C=C1C(=O)C[C@@H]2[C@H]3CC[C@@H](C(=O)O)[C@@]12CC3(C)C 1586025 SMAWCSOVJJHIOI-JNIYBQFBSA-N 248.322 2.659 30 40 BFEB biogenic CSc1cc(C)c(C#N)c(SC)n1 6484661 UNGAITDJQLXIHF-UHFFFAOYSA-N 210.327 2.706 30 40 BFEB CN1/C(=C/C=[N+](C)C)C(C)(C)c2ccccc21 35315433 BGBICWOROGIHNB-UHFFFAOYSA-N 229.347 2.641 30 40 BFEB N#Cc1ccc(Oc2ccc(C=O)cc2)nc1 42816399 PFLGGJSTWOWOQN-UHFFFAOYSA-N 224.219 2.558 30 40 BFEB CC[C@H](CC#N)NC(=O)c1ccc(Cl)s1 54177751 BSPJWMMPJLTNOQ-SSDOTTSWSA-N 242.731 2.824 30 40 BFEB CCO[C@H](C)OCC#Cc1ccc(F)c(F)c1 95631845 RUMLOBUZBYCMNH-JTQLQIEISA-N 240.249 2.715 30 40 BFEB Cc1ccc(F)cc1C#CC1(O)CCCC1 95632410 FUVRHTLFTMUGTH-UHFFFAOYSA-N 218.271 2.791 30 40 BFEB CCCCCn1nc(C(C)(C)C)c(C#N)c1N 225835889 DVUNDPIBVVXIGX-UHFFFAOYSA-N 234.347 2.825 30 40 BFEB Cn1c(C#N)cc(N)c1Sc1ccccc1 225887592 QUNWYGDBDXNPDR-UHFFFAOYSA-N 229.308 2.630 30 40 BFEB Cc1ccc2cc(CCC#N)cnc2c1N 256054571 WWALVTONNXEUSI-UHFFFAOYSA-N 211.268 2.582 30 40 BFEB C#CCNC(=O)c1ccccc1Cc1ccccc1 12567715 MUUQROJZBQIEOC-UHFFFAOYSA-N 249.313 2.640 30 40 BFEB O=C(NO)c1ccc(-c2ccccc2Cl)o1 28564578 BSNIYJCQWYWCCF-UHFFFAOYSA-N 237.642 2.719 30 40 BFEB CN(Cc1cccs1)c1ccc(C#N)cn1 35126454 CIQVMEOPDDBTMB-UHFFFAOYSA-N 229.308 2.651 30 40 BFEB N#CCc1cn2cc(Cl)cc(Cl)c2n1 47843962 GKJYFHCZDMYNHZ-UHFFFAOYSA-N 226.066 2.707 30 40 BFEB in-vitro CC(C)(C)OC(=O)N1CCC[C@@H](CCS)C1 95085223 IIQAZBPDSWTIGA-JTQLQIEISA-N 245.388 2.953 30 40 BFEB CC(C)(C)OC(=O)N1CCCCC[C@@H]1C#N 95347717 GYWDFCQVQPLIGZ-SNVBAGLBSA-N 224.304 2.690 30 40 BFEB C=C(Cl)CN(Cc1nnc(C)o1)C(C)(C)C 95428196 XUTPYAFZZIFNLT-UHFFFAOYSA-N 243.738 2.731 30 40 BFEB C=CCc1ccc(CCC(=O)OC)cc1 165121985 JCPZDIXUVZULRC-UHFFFAOYSA-N 204.269 2.521 30 40 BFEB Cc1n[nH]c(C)c1/N=C/c1ccc2c(c1)OCO2 1100278 KKEPPADXEOESOX-MKMNVTDBSA-N 243.266 2.506 30 40 BFEB C[C@@H]1CCC=C2C(=O)C=C[C@@H](C(C)(C)O)[C@]21C 14492457 CSSWGHXLDCLRSF-DGFSRKRXSA-N 234.339 2.875 30 40 BFEB biogenic,in-vitro C#CCNC(=O)N[C@@H](CC(C)C)c1ccccc1 29325208 NSJDRCDJPWWKIF-AWEZNQCLSA-N 244.338 2.706 30 40 BFEB C#CCCN(C)C(=O)C[C@H](c1ccco1)C(C)C 2342300 XWVBHRPRLNHDJG-ZDUSSCGKSA-N 247.338 2.891 30 40 BFEB C[C@H](O)C/N=C/c1cc2ccccc2nc1Cl 3445842 QQQBHWVTZIYKOH-HVIDBACLSA-N 248.713 2.688 30 40 BFEB N#CCc1c([N+](=O)[O-])cccc1C(F)(F)F 32235670 OQWQVGJIDPGWIK-UHFFFAOYSA-N 230.145 2.680 30 40 BFEB N#Cc1ccc(NCC2CCCCC2)nc1 37250475 NFSQPABJFMQFMP-UHFFFAOYSA-N 215.300 2.945 30 40 BFEB Cc1cc2oc(=O)c(C#N)c(C)c2cc1C 72226063 GGHGOYSZPZVHJJ-UHFFFAOYSA-N 213.236 2.590 30 40 BFEB N#Cc1ccc(N2CCC[C@@H]3CCC[C@@H]32)nc1 87771290 RFKXHIMCXFETQB-STQMWFEESA-N 227.311 2.722 30 40 BFEB C[C@@H](c1cccs1)[S@](=O)CCCC#N 97164053 OPDMCEMIXFXMNA-XPTSAGLGSA-N 227.354 2.862 30 40 BFEB Cc1ccc(Cn2c(C)cc(C#N)c2C)o1 226033653 XSRHJHDOSFWEFR-UHFFFAOYSA-N 214.268 2.926 30 40 BFEB Cc1ccccc1-n1cnnc1S[C@H](C)C#N 4501108 QBBNALGFYAWTJF-SNVBAGLBSA-N 244.323 2.580 30 40 BFEB Cc1c2c(n3c(nc4ccccc43)c1C#N)NCC2 5503847 OAICRPUTUZUKJY-UHFFFAOYSA-N 248.289 2.636 30 40 BFEB Cc1ccc(C)c(C(=O)/C=C\N(C)C)c1 12394494 HQRNITJFVDHPIC-FPLPWBNLSA-N 203.285 2.561 30 40 BFEB C[C@H](SC[C@H](C)CO)c1ccc(C#N)cc1 76092906 KSXICNVQXDHFLC-MNOVXSKESA-N 235.352 2.981 30 40 BFEB CCOC(=O)[C@@H]1OC12CCC(C(C)C)CC2 84324549 MPZSBSMSWILYPK-AKJDGMEZSA-N 226.316 2.533 30 40 BFEB COc1cc(CC#N)c(F)c(C(F)(F)F)c1 91252352 PRSLVVFXWPHVSP-UHFFFAOYSA-N 233.164 2.919 30 40 BFEB C=CCCN(Cc1ccncc1)C1CC1 93222361 HACGZECVUSDMMM-UHFFFAOYSA-N 202.301 2.622 30 40 BFEB C=C1C[C@@H]2CC[C@H](C1)N2c1cccnc1C#N 596528095 OMAVDOUNOUMUCQ-TXEJJXNPSA-N 225.295 2.641 30 40 BFEB C=CCN(CC=C)C(=O)[C@H]1C[C@H]2CC[C@@H]1C2 4611746 VQPSPKAMDKSVDU-XQQFMLRXSA-N 219.328 2.623 30 40 BFEB C[C@H](Nc1ccc(C#N)cn1)c1ccc(C#N)cc1 37502126 VZCLQEWLDGQZDR-NSHDSACASA-N 248.289 2.998 30 40 BFEB N#Cc1ccc2c(Cl)nnc(Cl)c2c1 39150202 FRJDQOMCKHDEJQ-UHFFFAOYSA-N 224.050 2.808 30 40 BFEB c1cc(OC[C@H]2CO2)c2c3c([nH]c2c1)CCCC3 65748319 CVDBWNJRBIYYOX-SNVBAGLBSA-N 243.306 2.824 30 40 BFEB in-vitro N#C[C@@H](c1ccccc1)N1CCC(F)(F)CC1 71257242 DPTQIWCUTDHOIM-LBPRGKRZSA-N 236.265 2.982 30 40 BFEB CCOC(=O)[C@]1(CC)O[C@]1(C)C(C)(C)C 86166091 NGUCTUCFTUGNFT-NEPJUHHUSA-N 214.305 2.533 30 40 BFEB N#Cc1n[nH]nc1-c1ccc(Cl)cc1Cl 96524711 OEJBGTSORNMAFS-UHFFFAOYSA-N 239.065 2.650 30 40 BFEB CCCCCCCCSCC(N)=O 100243319 FTFVQHLNRJAJGP-UHFFFAOYSA-N 203.351 2.565 30 40 BFEB C#CCOc1cccc(Nc2cccnc2)c1 952959914 HJIHQSPEIYMBCK-UHFFFAOYSA-N 224.263 2.837 30 40 BFEB N#C[C@]1(OC(=O)c2ccccc2)Cc2ccccc21 3847989 JDTQIJSSPYWDOT-MRXNPFEDSA-N 249.269 2.819 30 40 BFEB biogenic Cc1ccc(-n2c(C)c(C)c(C#N)c2N)cc1 3888752 CKZLVEXRYOVMGT-UHFFFAOYSA-N 225.295 2.856 30 40 BFEB N#CCN/C=C\C(=O)c1ccc2ccccc2c1 16545735 IAQHCWZWXTYXOK-CLFYSBASSA-N 236.274 2.649 30 40 BFEB O=Cc1ccc(/C=N\Nc2ccccc2)cc1 31670007 AUYRJHAJSCNGEN-GDNBJRDFSA-N 224.263 2.945 30 40 BFEB N#Cc1cc2c(C=O)c[nH]c2cc1C(F)(F)F 40564562 RKQBSHSPTCCKLV-UHFFFAOYSA-N 238.168 2.871 30 40 BFEB C[C@@H]1CCCC[C@]1(C#N)NC(=O)OC(C)(C)C 96102462 FAPCMGQEOQZPCR-ZWNOBZJWSA-N 238.331 2.984 30 40 BFEB O=C1CCCC/C1=C\Nc1ccc2c(c1)OCO2 103872650 GHEVUVVZMQETCL-CSKARUKUSA-N 245.278 2.854 30 40 BFEB C[C@@H]1[C@H]2C[C@H]([C@H]3[C@H]4C=C[C@@H](C4)[C@H]23)[C@@H]1C=O 103992755 IZLWCBCDUAJORE-ZECZDKILSA-N 202.297 2.526 30 40 BFEB CCC(=O)N1c2ccccc2[C@H](C=O)C[C@@H]1C 217549888 ZZGHAKREAKNEIN-QWRGUYRKSA-N 231.295 2.504 30 40 BFEB C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1S 953045708 PFNDLAPIXDNYMV-BDAKNGLRSA-N 231.361 2.562 30 40 BFEB Cc1cc(OC[C@@H]2CO2)ccc1C(C)C 525415 PPXMLAKSCDVFAI-GFCCVEGCSA-N 206.285 2.896 30 40 BFEB CCCCCCCCCCNCC(=O)O 1614541 FXHYAXBIUKRLLT-UHFFFAOYSA-N 215.337 2.801 30 40 BFEB CN[C@@]12CCC[C@@H](C1)C1=C(CC(C)(C)CC1=O)O2 4267914 KFZLQUOKCXPTIA-ZUZCIYMTSA-N 249.354 2.766 30 40 BFEB biogenic CCn1ccc(/C=C/C(=O)c2ccccc2)n1 8782638 JFVGGONKMKFPRA-CMDGGOBGSA-N 226.279 2.799 30 40 BFEB C[C@H]1CN(Cc2ccccc2)[C@H](C)C/C1=N\O 9330862 VJXBICUWSHNVFV-PPIUEQTRSA-N 232.327 2.747 30 40 BFEB N#Cc1ccc(Cl)cc1NC[C@@H]1CCOC1 36954521 AMVNTLKGMQOQDC-VIFPVBQESA-N 236.702 2.660 30 40 BFEB in-vitro COc1cccc(C(=O)CCCC#N)c1 41211601 CDDMGLBZYDAFFG-UHFFFAOYSA-N 203.241 2.572 30 40 BFEB COc1ccc(C=O)cc1OCCCCC#N 42214187 LHILBSGGTFLGRR-UHFFFAOYSA-N 233.267 2.580 30 40 BFEB C/C(=C/C(=O)C(F)(F)F)Nc1ccccn1 100095192 JSLJKBSJTRVYDI-SREVYHEPSA-N 230.189 2.529 30 40 BFEB O=CCC(=O)c1cc(F)c(Cl)cc1Cl 103117588 WCLKOEQGMVQOPM-UHFFFAOYSA-N 235.041 2.904 30 40 BFEB CNC(=O)c1cccc(CSCCCC#N)c1 190946075 UXGJONLJQQJOMA-UHFFFAOYSA-N 248.351 2.583 30 40 BFEB O=Cc1ccccc1/C=N/NCc1ccccc1 3167818 NIBGMUYSVDJKHE-GZTJUZNOSA-N 238.290 2.623 30 40 BFEB CCCCCCCCc1nnc(S)[nH]1 8829078 OTAAOINHVFMIDG-UHFFFAOYSA-N 213.350 2.996 30 40 BFEB COc1cccc([C@@H](C#N)N2CCCCC2)c1 19934318 OACWYKQOEJKMRK-CQSZACIVSA-N 230.311 2.746 30 40 BFEB C=CCN(Cc1ccccc1)[C@@H]1CCCC1=O 34062650 CJSUFXJULCLPMS-CQSZACIVSA-N 229.323 2.796 30 40 BFEB C=C(C)COc1ccc(OC)c(OC)c1 92896343 ZWATVAPMTPAEED-UHFFFAOYSA-N 208.257 2.659 30 40 BFEB Cn1cccc1/C=N/c1ccc(F)cc1 409087165 GPYOCGLZSCJLRE-NTEUORMPSA-N 202.232 2.915 30 40 BFEB CC[N+]1(CC(=O)c2ccccc2)CCCCC1 1668280 QKAAEUUKOYZVFC-UHFFFAOYSA-N 232.347 2.890 30 40 BFEB C=CCOC(=O)[C@H](O)[C@@H](CC)CCCCC 1687138 NVXIZKYCSXQIKE-NWDGAFQWSA-N 228.332 2.683 30 40 BFEB CCCCOC(=O)[C@@]1(C)O[C@@H]1c1ccccc1 1734142 BUSAPNYJIMUSIH-OCCSQVGLSA-N 234.295 2.860 30 40 BFEB N#Cc1cccnc1Oc1ccc(C=O)cc1 8733398 HZJHALFUHLQXBZ-UHFFFAOYSA-N 224.219 2.558 30 40 BFEB in-vitro C=CCNC(=O)CSCc1cc(C)cc(C)c1 57689009 YVFYANIPFUNJTG-UHFFFAOYSA-N 249.379 2.839 30 40 BFEB N#Cc1ccc2ccc(Br)cc2n1 62616002 UWUOTSCOPZETAE-UHFFFAOYSA-N 233.068 2.869 30 40 BFEB N#Cc1ccc(N2CC[C@H]3CCCC[C@@H]32)cn1 80973055 BRJWPDFYJITRHT-RISCZKNCSA-N 227.311 2.722 30 40 BFEB CCOC(=O)[C@@]1(CC)O[C@@]1(C)CC(C)C 86166153 JTHRCBWVMLOORS-NWDGAFQWSA-N 214.305 2.533 30 40 BFEB C/C(=C/C(=O)c1ccccc1)OB(F)F 195777681 RZCCAZYNYSFELP-FPLPWBNLSA-N 209.988 2.714 30 40 BFEB Cc1ccc(C)c(Oc2c(N)cc(C#N)n2C)c1 225884845 ABOBANSKRFAHHD-UHFFFAOYSA-N 241.294 2.888 30 40 BFEB O=C(C[n+]1ccccc1Cl)c1ccccc1 1668331 UNPZBSZAZPOVFQ-UHFFFAOYSA-N 232.690 2.510 30 40 BFEB C=C(C)CNC(=O)[C@H]1CC(C)=C[C@@H](C)[C@H]1C 4794966 PJHLTAMDZJWCNG-UPJWGTAASA-N 221.344 2.917 30 40 BFEB CN(C)/C=C1/Oc2c(ccc3ccccc23)C1=O 12407971 IPKDJMFWSTXQLF-UKTHLTGXSA-N 239.274 2.818 30 40 BFEB CCSc1nc2c(cc1C#N)N1CCC2CC1 28632146 NIGKLMSFRPCBGX-UHFFFAOYSA-N 245.351 2.763 30 40 BFEB C(=N\N1CCCCCC1)\c1ccccc1 31659110 XFZXAVXWXIAIKO-OWBHPGMISA-N 202.301 2.897 30 40 BFEB CN(C)C(=O)c1cc(Cl)c(C#N)c(Cl)c1 59842980 GYXPJYRNDRQCCN-UHFFFAOYSA-N 243.093 2.567 30 40 BFEB CCCCn1c(C(C)=O)cc(C#N)c1CC 78404480 BNAXDMYZHUJFIR-UHFFFAOYSA-N 218.300 2.925 30 40 BFEB C=CCOC(=O)c1cccc(SCC#N)c1 79025360 KTYUEUKLFFPAPR-UHFFFAOYSA-N 233.292 2.645 30 40 BFEB FC(F)(F)[C@@H](OC[C@@H]1CO1)c1ccccc1 95095889 QJSCXIANKHKEAD-UWVGGRQHSA-N 232.201 2.705 30 40 BFEB Cc1ccc(C)c([C@H](O)CN(C)[C@@H](C)CC#N)c1 95413205 JBKLWIYZLQHJKG-DZGCQCFKSA-N 246.354 2.571 30 40 BFEB CC(C)N1C(=O)CS/C1=N/c1ccccc1 96610721 KZJGMQVAFPGESN-OUKQBFOZSA-N 234.324 2.658 30 40 BFEB C=C1[C@H]2[C@H](O)OC[C@H]3[C@H]2[C@@H](C(C)C)CC[C@@]13C 105561263 RVFULFDTCDRKNZ-FVUFVHQMSA-N 236.355 2.826 30 40 BFEB biogenic C=C1C(=O)O[C@@H]2[C@@H]1CC/C(C)=C/CC[C@@]1(C)O[C@H]21 169365397 KTEXNACQROZXEV-ZGCOKLOFSA-N 248.322 2.762 30 40 BFEB Cc1cc(-c2cccnc2)[nH]c(=S)c1C#N 125928 LZNQKDYOTOUAGF-UHFFFAOYSA-N 227.292 2.986 30 40 BFEB N#Cc1cccc(/N=C/c2ccc(O)c(O)c2)c1 561365 BUCMAJIKBMRFDL-CXUHLZMHSA-N 238.246 2.720 30 40 BFEB C[C@H]1CCCCN1Cc1ccccc1C#N 812169 LGJZQPRCELUOGP-LBPRGKRZSA-N 214.312 2.933 30 40 BFEB COc1ccc(C(=O)/C=C/c2ccncc2)cc1 4280782 OHXOJKQHTRABPQ-FARCUNLSSA-N 239.274 2.986 30 40 BFEB in-vivo CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc21 26894096 KDJNHMDZHOBDOJ-UHFFFAOYSA-N 244.294 2.856 30 40 BFEB CCOCCC(=O)Oc1c(C)cc(C#N)cc1C 76041247 XACIGPVRIUVRHS-UHFFFAOYSA-N 247.294 2.507 30 40 BFEB Cc1ccc(CN(CC#N)C2CCCC2)o1 80214915 BXZNJMJOTTUJSK-UHFFFAOYSA-N 218.300 2.856 30 40 BFEB Cc1ccc(-c2nc3cc(C#N)ccc3[nH]2)nc1 95442571 JQAWXDSZDDFVGB-UHFFFAOYSA-N 234.262 2.805 30 40 BFEB CCc1ccccc1C#C[C@@](C)(O)CC 95632108 KJBHSNNCEFXLRG-AWEZNQCLSA-N 202.297 2.762 30 40 BFEB CC[C@@H](C)n1nc(C(C)(C)C)c(C#N)c1N 225832686 OSVKBQUMECKEEL-MRVPVSSYSA-N 220.320 2.605 30 40 BFEB CCCc1c(N)cc(C#N)n1[C@H](C)CC 225852509 ZAPHJWUPZSZSBY-SECBINFHSA-N 205.305 2.865 30 40 BFEB CCOC(=O)[C@@H]1O[C@@]1(C)c1ccc(Cl)cc1 1696021 DDQDBXJPGCKWGR-JQWIXIFHSA-N 240.686 2.517 30 40 BFEB O/N=C/Cc1ncc(C(F)(F)F)cc1Cl 4073424 USRXSEDHAOOWSF-JLZUIIAYSA-N 238.596 2.756 30 40 BFEB C=C(Cl)Cn1nc(-c2ccccc2)ccc1=O 40287987 HIIUNSFWMGMHNV-UHFFFAOYSA-N 246.697 2.663 30 40 BFEB CCC(=O)[C@@H](C#N)c1ccccc1Cl 44268753 WSWCNOMTOVWMLG-VIFPVBQESA-N 207.660 2.926 30 40 BFEB N#Cc1cccc(-c2ccc(Cl)nn2)c1 69637444 FEBMKURRASMYRN-UHFFFAOYSA-N 215.643 2.669 30 40 BFEB in-vitro CC(C)Oc1ccc(Cl)cc1/C=N/O 72209104 MSJNZSLDBXTKRW-WUXMJOGZSA-N 213.664 2.935 30 40 BFEB CCc1ccc(C#CCN(CC)CC)cc1 95632181 PZHTYJWHVLTMGT-UHFFFAOYSA-N 215.340 2.942 30 40 BFEB Cc1oc(/N=C/c2ccc[nH]2)c(C#N)c1C 409139406 DGSZKPMVJNTNCF-VIZOYTHASA-N 213.240 2.847 30 40 BFEB N#CCOC(=O)c1occc1-c1ccccc1 16537275 FRJQEQZTEFYGDS-UHFFFAOYSA-N 227.219 2.627 30 40 BFEB CC(C)CN(CCC#N)C(=O)c1ccccc1F 37976414 CYZISHGLCNQPAR-UHFFFAOYSA-N 248.301 2.838 30 40 BFEB CC(C)[C@H](C#N)NC(=O)C[C@H](C)C(C)(C)C 70981083 OIPWYTZJZRJUIN-QWRGUYRKSA-N 224.348 2.723 30 40 BFEB C=C(C)CN(C)[C@@H](C)c1cccc(O)c1 71892973 FCJUYETWKCNUQV-NSHDSACASA-N 205.301 2.961 30 40 BFEB Cc1cc(C#C[C@@H](O)C(C)C)ccc1F 95632378 IMRZUYODNLLPLM-CYBMUJFWSA-N 206.260 2.503 30 40 BFEB Cc1cc(C)c(C#N)c(NCc2ccccn2)n1 12408861 FEWLWWSJKYEEST-UHFFFAOYSA-N 238.294 2.577 30 40 BFEB C#Cc1cccc(NC(=O)N(CC=C)CC=C)c1 40526900 INFHFGJUXJHJBC-UHFFFAOYSA-N 240.306 2.874 30 40 BFEB C=C[C@H](N)c1ccccc1Br 83946522 VKSFFOVXSJVUBT-VIFPVBQESA-N 212.090 2.635 30 40 BFEB CN(C)/C=C1/Cc2cc(Cl)ccc2C1=O 89064516 DBUBDNKBWKIPQJ-CLFYSBASSA-N 221.687 2.524 30 40 BFEB CC(C)[C@@H](O)C#Cc1ccc(Cl)c(F)c1 95633400 JRKHQXYMUAFNBD-LBPRGKRZSA-N 226.678 2.848 30 40 BFEB O/N=C(/Cc1cccc(F)c1)c1ccncc1 228946385 DVTUQWWAZNRVSD-SSZFMOIBSA-N 230.242 2.642 30 40 BFEB Cc1cccc(/N=C2/NC(=O)[C@@H](C)S2)c1C 8415221 VVJOJUJPISNKSR-SECBINFHSA-N 234.324 2.542 30 40 BFEB CC(C)(C)[S@@](=O)/N=C/c1ccccc1 38325439 KHEXSXPVKHWNOZ-TZIYXEQSSA-N 209.314 2.568 30 40 BFEB N#Cc1ccc(-n2nc3c(c2Cl)CCC3)cc1 91585405 CNNZPLZQCRZPOP-UHFFFAOYSA-N 243.697 2.886 30 40 BFEB Cc1ccc2cc(/C=N/C(C)C)c(=O)[nH]c2c1 1262060 JWZKVAKAULLISV-OVCLIPMQSA-N 228.295 2.664 30 40 BFEB CCNc1oc(COc2ccccc2)nc1C#N 4168463 PCAIXENHVUJIGA-UHFFFAOYSA-N 243.266 2.557 30 40 BFEB Cc1csc(Sc2ccc(C#N)cn2)n1 12523002 UWWACQZHOUXLLX-UHFFFAOYSA-N 233.321 2.869 30 40 BFEB C=CCN(CC=C)Cc1ccc(F)cc1 52868347 DCQMNWXAJYDUAG-UHFFFAOYSA-N 205.276 3.000 30 40 BFEB Cc1ccc(-c2nc(C#N)c([N+](C)(C)C)o2)cc1 72238713 ISTAPPSHZOXDOD-UHFFFAOYSA-N 242.302 2.718 30 40 BFEB O=C(O)C1(C#Cc2ccccc2)[C@@H]2CCCC[C@H]21 100672984 KBBYMOPPZJULCO-ZIAGYGMSSA-N 240.302 2.929 30 40 BFEB C[C@H](S)c1ccc2c(c1)OCCCO2 20476646 SLJTTWCJTHCCAX-QMMMGPOBSA-N 210.298 2.839 30 40 BFEB C#CCNC(=O)c1sc2ccccc2c1C 24587527 ZIFRMJCQRNUMLV-UHFFFAOYSA-N 229.304 2.573 30 40 BFEB N#C[C@H](C(=O)C(F)(F)F)c1ccc(F)cc1 34610331 RCAQVQYAKNWDSW-QMMMGPOBSA-N 231.148 2.564 30 40 BFEB Cc1cc(Oc2ccccc2C#N)ncc1N 92027913 TWYPQWJLBNRMIO-UHFFFAOYSA-N 225.251 2.636 30 40 BFEB N#CC1(C(=O)NCC2(C3CC3)CC2)CCCCC1 95434621 AAPTYWVGGCSSGA-UHFFFAOYSA-N 246.354 2.767 30 40 BFEB Fc1ccc(C#CCO[C@H]2CCCCO2)cc1 95632495 YPPPTXXZBNNQII-AWEZNQCLSA-N 234.270 2.720 30 40 BFEB C/C(=N\O)c1ccc(C(F)(F)F)cc1 100067388 KKWYDFPUEGTJRD-AWNIVKPZSA-N 203.163 2.904 30 40 BFEB CC1=C(C)/C(=N\C(=O)c2ccccc2)C=CC1=O 101028043 BXFKJVYYGIGALO-SSZFMOIBSA-N 239.274 2.743 30 40 BFEB N#CCC(=O)c1ccccc1OCC(F)(F)F 169799856 JOFAXUYAGWYSPK-UHFFFAOYSA-N 243.184 2.724 30 40 BFEB C=C(C)C(=O)c1ccc(C(=O)OCC)s1 389378779 PKKUVRIDHWAHFT-UHFFFAOYSA-N 224.281 2.684 30 40 BFEB Cc1ncsc1-c1cccc(C#N)c1 642882874 HPROIJXXJRDVKP-UHFFFAOYSA-N 200.266 2.990 30 40 BFEB C=C(Cl)CNc1ccccc1C(=O)OC 1561340 NSRRGDLQZIAMAJ-UHFFFAOYSA-N 225.675 2.638 30 40 BFEB COc1ccc(/C=C/C(=O)C(F)(F)F)cc1 4267967 UUEUIHMPHYBCFZ-QPJJXVBHSA-N 230.185 2.840 30 40 BFEB CC[C@H]1S/C(=N/c2ccc(C)cc2)NC1=O 11638031 OAVAUMAALPKSMR-SNVBAGLBSA-N 234.324 2.624 30 40 BFEB Cc1ccc(Oc2ccc(/C=N/O)cn2)cc1 13142198 SKUYZBMELOBMFU-OQLLNIDSSA-N 228.251 2.990 30 40 BFEB C/C=C/C=C\C(=O)c1ccc(OC)cc1O 17005698 NWVHMNPNVNFNFQ-ICWBMWKASA-N 218.252 2.716 30 40 BFEB Cc1nc(COc2ccccc2C#N)cs1 20253738 KQXCQWWLNPCGMZ-UHFFFAOYSA-N 230.292 2.902 30 40 BFEB CCc1ccc(C)[n+](CC(=O)c2ccccc2)c1 23375005 CZNYEGGSWOYBES-UHFFFAOYSA-N 240.326 2.728 30 40 BFEB C=CCNC(=O)N[C@H](C)c1cccc(Cl)c1 26518044 SUIXAPBVYLHLMG-SECBINFHSA-N 238.718 2.886 30 40 BFEB N#Cc1cccnc1N[C@@H]1C[C@H]1c1ccccc1 44416607 XAKPWZKFIBYSAD-UONOGXRCSA-N 235.290 2.921 30 40 BFEB O=CC12c3ccccc3[C@@H]3C1[C@@H]3c1ccccc12 45070122 MAIJIHLVZUMKDO-RYTJFDOTSA-N 232.282 2.996 30 40 BFEB FC(F)(F)c1ccccc1C[C@H]1CO1 82164464 MMFCMICIKUOWGM-QMMMGPOBSA-N 202.175 2.647 30 40 BFEB in-vitro N#CCN1CCc2c1cccc2C(F)(F)F 97135321 BEQWJGGYZRQQCD-UHFFFAOYSA-N 226.201 2.591 30 40 BFEB COC[C@@H](/N=C\c1ccc(OC)cc1)C(C)C 104312082 MONVNSWGRGLHCL-WJQTUHTMSA-N 235.327 2.785 30 40 BFEB C#C[C@@]1(C)CCCN1C(=O)OCc1ccccc1 606300513 NNNSEIBKIKZQFR-HNNXBMFYSA-N 243.306 2.811 30 40 BFEB C=C1C(=O)O[C@@H]2C=C(C)[C@@H](O)CC=C(C)CC[C@H]12 1081701742 XQVSREKNQZKAKU-HZSPNIEDSA-N 248.322 2.522 30 40 BFEB biogenic,in-vitro Cc1nnc(/N=C/c2ccccc2F)s1 6816767 KRLHNLJNVVLVCN-WUXMJOGZSA-N 221.260 2.736 30 40 BFEB COc1ccc2cc(CC#N)c(Cl)nc2c1 11985294 HYUIRQAFQBSAPO-UHFFFAOYSA-N 232.670 2.963 30 40 BFEB O=[P+](OCC(F)(F)F)OCC(F)(F)F 33939560 IMDCVAFSSZPRRM-UHFFFAOYSA-N 245.035 2.802 30 40 BFEB CC(C)(C=O)CCOCc1ccccc1 38312969 UEJHLNXDINALPH-UHFFFAOYSA-N 206.285 2.818 30 40 BFEB C#CCN(C)Cc1ccc(Br)cc1 42211334 CZHICGIAKKAMAP-UHFFFAOYSA-N 238.128 2.514 30 40 BFEB CC[C@](C)(O)C#Cc1cc(Cl)ccc1OC 95631519 MVPJTHPHVFWFAC-ZDUSSCGKSA-N 238.714 2.861 30 40 BFEB CCCCCCCCNC[C@H](C)C(=O)OC 100408967 WLLRXFMVAQWOSY-LBPRGKRZSA-N 229.364 2.746 30 40 BFEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N/OC(=O)O)C2 100633968 OAFMMSVDHUDLTL-VXJQHOMMSA-N 211.261 2.883 30 40 BFEB N#Cc1ccc(C(F)(F)F)c(F)c1F 2560154 FBNHHKLZBCDJQU-UHFFFAOYSA-N 207.101 2.855 30 40 BFEB C=C(Br)CCCCC(=O)O 2579544 VTYGQNLNJBTATD-UHFFFAOYSA-N 207.067 2.540 30 40 BFEB CC1=C/C(=N\Nc2ccc(C(=O)O)cc2)CC1 7779524 CSANQEJZVOZVPB-QINSGFPZSA-N 230.267 2.893 30 40 BFEB COc1cccc(-c2ccc(C#N)cc2)n1 45028353 KVOUCSMAMRBLKH-UHFFFAOYSA-N 210.236 2.629 30 40 BFEB Cc1cccc(C#C[C@H](O)C(C)C)c1C 95632052 KRKINYLLEYVDJV-AWEZNQCLSA-N 202.297 2.672 30 40 BFEB CCCCCCCC(=O)CC1OCCO1 100605389 KLPLBNNWHXGJLQ-UHFFFAOYSA-N 214.305 2.679 30 40 BFEB N#Cc1cccc2c1[C@@H]1[C@H]3[C@H]4C=C[C@@H]4[C@@H]2[C@@H]31 104286258 SPIAMXPAJFUTRW-GLIFJJLQSA-N 205.260 2.801 30 40 BFEB CCn1cnc2cc(C#N)c(Cl)cc21 137738626 ZLUQKBHBLQNGKA-UHFFFAOYSA-N 205.648 2.581 30 40 BFEB CC(=O)c1cccc(Oc2cncc(C#N)c2)c1 685937323 GXHXMCOPHYSQIA-UHFFFAOYSA-N 238.246 2.948 30 40 BFEB CC(=O)Oc1ccc(/C=C(/C)C(C)=O)cc1 1679183 IJCWMRYUMHIUJK-HJWRWDBZSA-N 218.252 2.604 30 40 BFEB C=CCNCc1cc(Cl)c(OC)c(OC)c1 8469857 XGVGQRAUMIIVBQ-UHFFFAOYSA-N 241.718 2.633 30 40 BFEB CO[C@@H]1CC[C@H](O)[C@H](/C=N/c2ccccc2)C1 12433102 QZAYBARGCWFJAC-FUAMCSHVSA-N 233.311 2.565 30 40 BFEB CCCc1nc(C#N)c(NCc2cccnc2)o1 26779514 FJMIXVCXEAMKJM-UHFFFAOYSA-N 242.282 2.506 30 40 BFEB CCC(CC)NC(=O)Nc1ccc(C#N)cc1 32779392 AZEYACJEWMPROK-UHFFFAOYSA-N 231.299 2.868 30 40 BFEB O=C1CCC2=C1Sc1ccccc1N2 49474236 OBLUAPNVOQOZOB-UHFFFAOYSA-N 203.266 2.779 30 40 BFEB CC1(C)[C@H]2CC[C@]1(Br)/C(=N\O)C2 72220774 CSBGJIXXZJOLGS-ZQBJRUARSA-N 232.121 2.790 30 40 BFEB CC(C)[C@H]1CN(c2ncccc2C#N)CCS1 78578826 LVSHNXCNLZHKOT-GFCCVEGCSA-N 247.367 2.531 30 40 BFEB N#Cc1cccc2c1[C@@H]1[C@H]3[C@H]4C=C[C@@H]4[C@H]2[C@@H]31 101003262 SPIAMXPAJFUTRW-BECKRBFASA-N 205.260 2.801 30 40 BFEB O/N=C(\Cl)c1ccc(C(F)F)cc1 217576900 IQDPAKXKVRDPHR-GHXNOFRVSA-N 205.591 2.999 30 40 BFEB FC(F)(Cl)[C@@](F)(Cl)C[C@@H]1CO1 1681827 SWHAYLLTYQCEPK-QWWZWVQMSA-N 208.994 2.512 30 40 BFEB Cc1ccc(OCc2ccc(C#N)cc2)cn1 63863785 DGWRWSVVXDFXBD-UHFFFAOYSA-N 224.263 2.841 30 40 BFEB CC(C)(C#CC[C@H]1C[C@H]2C=C[C@H]1C2)OC[C@@H]1CO1 100934360 QXCQGMCSHFXREC-QPSCCSFWSA-N 246.350 2.786 30 40 BFEB N#Cc1cccc(-c2nc3ncccc3o2)c1 39233180 IWRDDVSHWWYSRO-UHFFFAOYSA-N 221.219 2.761 30 40 BFEB CCc1ccccc1C#C[C@@H](O)C(C)C 95632148 MSFUUHWHCIAZLA-CQSZACIVSA-N 202.297 2.617 30 40 BFEB N#Cc1ccc(N2CCc3sccc3C2)cn1 97227388 LVDXWZBMQFVKTR-UHFFFAOYSA-N 241.319 2.577 30 40 BFEB CCCC1(C)COB(c2ccc(C)cc2)OC1 169745542 WOZGAFMPOSBQCU-UHFFFAOYSA-N 232.132 2.543 30 40 BFEB CN(C1CCCCC1)[C@@H]1/C(=N/O)[C@H]2CC[C@H]1C2 257345333 CIMIGKAAHGMWNY-DQGUNNOXSA-N 236.359 2.880 30 40 BFEB CC(C)CCOC(=O)[C@@H]1O[C@@]1(C)c1ccccc1 1734149 OHUOMSSDXQOJAR-ZFWWWQNUSA-N 248.322 2.890 30 40 BFEB COc1ccc(O)c(/C=N/Nc2ccccc2)c1 5173669 YMPXJVNODYUEOL-XNTDXEJSSA-N 242.278 2.847 30 40 BFEB C[C@H](C=O)c1ccc(Br)cc1 32012776 WJTCCULQAHZZRE-SSDOTTSWSA-N 213.074 2.752 30 40 BFEB in-vitro C#CCOc1cccc(C(F)(F)F)c1 34307655 AJDWOYCSPDTSAJ-UHFFFAOYSA-N 200.159 2.717 30 40 BFEB CC[C@@H](C)C(=O)N(C)Cc1cccc(C#N)c1 40498633 DHQGEGXHQSMNDA-LLVKDONJSA-N 230.311 2.563 30 40 BFEB Cc1n[nH]c(C)c1/N=C/c1cccc([N+](=O)[O-])c1 59415848 XAUVEQHVOLIHMD-NTUHNPAUSA-N 244.254 2.685 30 40 BFEB C=C(COc1ccccc1C(F)(F)F)C(=O)O 70380592 NMAGMSXRDXXMBA-UHFFFAOYSA-N 246.184 2.725 30 40 BFEB COc1ccc(N(CC#N)[C@@H](C)C2CC2)cc1 71892952 KRSCORRPTDJFBK-NSHDSACASA-N 230.311 2.824 30 40 BFEB N#CC(C#N)C(=O)c1ccc2ccccc2c1 98175214 QETHUPICRFMIJG-UHFFFAOYSA-N 220.231 2.686 30 40 BFEB C=CCN(/C=C/CN(CC=C)CC=C)CC=C 4801802 HDBQBOOGLFIDHO-NTEUORMPSA-N 232.371 2.848 30 40 BFEB O=[S@](ONc1ccccc1)c1ccccc1 17300878 RMRDINRQAICTLI-INIZCTEOSA-N 233.292 2.753 30 40 BFEB N#Cc1cc(N)ccc1N1CCc2ccccc2C1 20135156 AYKKREIQUNNANZ-UHFFFAOYSA-N 249.317 2.703 30 40 BFEB CN(CCC#N)CCOc1cccc(Cl)c1 69433519 KOOJARNAWNIDGF-UHFFFAOYSA-N 238.718 2.564 30 40 BFEB COc1cccc(C#N)c1C(F)(F)F 91252354 NLDWWTZVPASWAX-UHFFFAOYSA-N 201.147 2.586 30 40 BFEB CCOC(=O)[C@@H](C#N)c1cccc(Cl)c1F 169267334 QZLFSUALGCUADX-QMMMGPOBSA-N 241.649 2.649 30 40 BFEB N#CCc1cc(OC(F)(F)F)ccc1[N+](=O)[O-] 199553441 RWQNEQJONQNGDY-UHFFFAOYSA-N 246.144 2.559 30 40 BFEB COc1ccc(-n2c(C)ccc2C#N)cc1 223748754 XWWWWZRFZFQWDU-UHFFFAOYSA-N 212.252 2.666 30 40 BFEB N#Cc1ccccc1CO/N=C/c1ccoc1 408595731 MQNUORQPYPGASM-OVCLIPMQSA-N 226.235 2.702 30 40 BFEB CN1CCCC[C@@](C#N)(c2ccccc2)CC1 1594084 NAIUDPFISJVNOL-OAHLLOKOSA-N 228.339 2.954 30 40 BFEB CCCCCCCC[C@@H](C)NCCO 1716854 SFGIGHHJJKSNMF-GFCCVEGCSA-N 201.354 2.707 30 40 BFEB COc1ccc(/C(C)=N/Nc2ccncc2)cc1 6317210 OVWHGQIHBSJRIE-LFIBNONCSA-N 241.294 2.926 30 40 BFEB Cc1cc(N/C=C\C(=O)c2ccccc2)on1 16284068 FNHIXRVFZFPWKS-FPLPWBNLSA-N 228.251 2.792 30 40 BFEB C[C@@H](O)C#Cc1ccc(Cl)c(Cl)c1 22203305 GSGNQJWHQDHBFE-SSDOTTSWSA-N 215.079 2.726 30 40 BFEB Cc1ccccc1/C=C/C(=O)c1cn(C)nc1C 47380277 RMZPLGQVHURAQZ-CMDGGOBGSA-N 240.306 2.933 30 40 BFEB C=CCOc1c(C(=O)O)oc2ccccc12 96510803 QUUZHRZLXYEKTF-UHFFFAOYSA-N 218.208 2.696 30 40 BFEB CC(C)CC(=O)OC1=CC(=O)CC(C)(C)C1 97062515 JJCBPLLDUYCPSS-UHFFFAOYSA-N 224.300 2.849 30 40 BFEB CCCCCCCO[C@H](C)C(=O)OC 100938964 VGKWQPNLWUFORC-SNVBAGLBSA-N 202.294 2.535 30 40 BFEB C=CCn1c(Cc2ccccc2)ccc1C(=O)O 226027867 KXXNBABNWSOHHR-UHFFFAOYSA-N 241.290 2.963 30 40 BFEB Cc1nn(C)c(C)c1/C=C/C(=O)c1cccs1 4651991 UYGNKXAEZPPIDY-VOTSOKGWSA-N 246.335 2.995 30 40 BFEB C[C@H](OC(=O)c1cccc(CC#N)c1)C1CC1 78442448 VHRNYKMFGXKVCQ-JTQLQIEISA-N 229.279 2.708 30 40 BFEB C[C@@H](NCC#N)c1ccc(-c2cccnc2)cc1 96492235 PNQLAKNQAAEASA-GFCCVEGCSA-N 237.306 2.923 30 40 BFEB CN(C)/N=C(\S)Nc1ccc(Cl)cc1 8828899 ZYHHQFNYHPRVQG-UHFFFAOYSA-N 229.736 2.514 30 40 BFEB CC1(C)CC(=O)C(O)=C1c1ccccc1 21995550 FLLXXAPWAWSMBT-UHFFFAOYSA-N 202.253 2.955 30 40 BFEB N#CC1(CN2CCCc3ccccc32)CC1 49815175 BVTWYRNMASSGHH-UHFFFAOYSA-N 212.296 2.743 30 40 BFEB C=CCOC(=O)c1cc(Cl)c2[nH]cnc2c1 73633963 DIXJBCWXJZAVBY-UHFFFAOYSA-N 236.658 2.559 30 40 BFEB C=CCNC(=O)N[C@H]1CCC[C@@H](SCC)C1 84811928 DRRBRSPMHLEPOR-WDEREUQCSA-N 242.388 2.536 30 40 BFEB C=C(Cl)Cc1cccc(OC(C)=O)c1 85650710 HKLNUNAXLRSXFT-UHFFFAOYSA-N 210.660 2.907 30 40 BFEB N#Cc1cc2c(Br)cncc2s1 95932315 NCUVXXRGNFXXPJ-UHFFFAOYSA-N 239.097 2.930 30 40 BFEB Cc1ccc(C[S@](=O)CCCC#N)cc1C 97097890 SLOVQOBWWPTHCS-INIZCTEOSA-N 235.352 2.856 30 40 BFEB CCc1cnc([C@H](C)NCCCC#N)s1 97371375 NAWUGUGGUGVDQK-VIFPVBQESA-N 223.345 2.660 30 40 BFEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N/O)[C@@H]2[n+]1ccccc1 100731632 GOJSQMBDTXKYPT-JGSBACDHSA-O 245.346 2.802 30 40 BFEB N#Cc1ccc2c(c1)[C@@H]1[C@H]3[C@H]([C@H]4C=C[C@H]41)[C@@H]23 101003237 OVXKINMQQCFJOD-YPMQNCMRSA-N 205.260 2.801 30 40 BFEB CS[C@@H]1CCC[C@@H]1N(C)CCCCC#N 107584898 LWKZJABMWPGPEN-NWDGAFQWSA-N 226.389 2.896 30 40 BFEB Cc1ccccc1/C=N/N=c1/scc(C)n1C 1415373 AXJXNBLHGCAMRU-XBXUPPNFSA-N 245.351 2.638 30 40 BFEB C=CCN(CC=C)Cc1cc(OC)ccc1OC 4548355 NUVSYXCOFJGPDP-UHFFFAOYSA-N 247.338 2.878 30 40 BFEB N#Cc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 12978138 GGLBUEKVSTWEOS-LLVKDONJSA-N 226.279 2.853 30 40 BFEB CCCCC/C(=N/OCc1ccccc1)C(N)=O 16922901 FNVBOWTZTLJJKT-SSZFMOIBSA-N 248.326 2.625 30 40 BFEB Cc1ccc(CNCc2cccc(C#N)c2)cn1 47825901 KXJZRTHMGYDGMI-UHFFFAOYSA-N 237.306 2.552 30 40 BFEB CCCCc1ccc(C#C[C@H](C)O)cc1 95633275 YBZHILYOBBKRMZ-LBPRGKRZSA-N 202.297 2.762 30 40 BFEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N/O)[C@H]2[n+]1ccccc1 105302029 GOJSQMBDTXKYPT-VBRKNADYSA-O 245.346 2.802 30 40 BFEB C#CCO[C@@H](C)n1cccc1-c1ccco1 6183091 BEVHJNGIRANNTF-NSHDSACASA-N 215.252 2.916 30 40 BFEB COc1ccc(Cl)cc1/C=C\C=N\N(C)C 16920181 HZBWYAATRDJXJH-HNQGTOQISA-N 238.718 2.909 30 40 BFEB CC(C)[C@@H](C)NCc1ccc(C#N)cc1 20317204 VHZUEIRVAWBFNT-LLVKDONJSA-N 202.301 2.692 30 40 BFEB C#CCNC(=O)N[C@H](CC(C)C)c1ccccc1 29325204 NSJDRCDJPWWKIF-CQSZACIVSA-N 244.338 2.706 30 40 BFEB C=CCn1cc(CNCc2cc(C)oc2C)cn1 85395818 XCVDIGFQYLMQPS-UHFFFAOYSA-N 245.326 2.569 30 40 BFEB CCCc1c(N)cc(C#N)n1CC(C)C 225852148 PXMBEZVQRXPQIX-UHFFFAOYSA-N 205.305 2.550 30 40 BFEB O=C(O)C(S)(c1ccccc1)c1ccccc1 332258 JQCAMTODVTZCAE-UHFFFAOYSA-N 244.315 2.945 30 40 BFEB O=C1O[C@@]2(O[C@@H]2c2ccccc2)c2ccccc21 1633149 YQDYZPHMROBRNT-HIFRSBDPSA-N 238.242 2.781 30 40 BFEB CCCCOC(=O)[C@H]1O[C@@]1(C)c1ccc(C)cc1 1733583 NCXFPBKPSJBSBJ-HIFRSBDPSA-N 248.322 2.952 30 40 BFEB C=CCSc1nc2cc(OC)ccc2n1C 5286066 OECPSNNXZOBSRK-UHFFFAOYSA-N 234.324 2.860 30 40 BFEB CC[C@H](C(=O)c1ccccc1)[n+]1ccccc1 6412240 ZXVBRAUOHHFPBI-CQSZACIVSA-N 226.299 2.808 30 40 BFEB O=C1CCCC/C1=C\Nc1ccccc1O 9553384 NWRBFXFGJQJMCZ-MDZDMXLPSA-N 217.268 2.831 30 40 BFEB CCCOc1ccc(/C=N\O)cc1Cl 100250162 MDZFWRZRNLXUPA-GHXNOFRVSA-N 213.664 2.937 30 40 BFEB CN(C)c1oc(-c2ccc(Cl)cc2)nc1C#N 65818 GXONPTIWZRUCPH-UHFFFAOYSA-N 247.685 2.933 30 40 BFEB C(=N\N1CCCCCC1)\c1ccc2c(c1)OCO2 4896950 GGASDOOVSNFRKJ-GDNBJRDFSA-N 246.310 2.625 30 40 BFEB COc1ccc([C@@H]2C[C@@H]2/C(C)=N\O)cc1 5382208 ZGVGXXXPBAOTHH-LSOFDGFXSA-N 205.257 2.649 30 40 BFEB N#Cc1ccc(C(=O)NCc2ccsc2)cc1 13698134 KWTUIQLFRXJKLZ-UHFFFAOYSA-N 242.303 2.550 30 40 BFEB O=C(C#Cc1ccccc1)C(F)(F)C(F)(F)F 39253751 VCARCPYEXCPAJO-UHFFFAOYSA-N 248.150 2.805 30 40 BFEB C#CCOc1ccccc1OCc1cc(C)no1 69817686 KOTIQYWPZCHBCT-UHFFFAOYSA-N 243.262 2.574 30 40 BFEB C=CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 97145820 GRGPDLHRCFCWKL-UHFFFAOYSA-N 249.270 2.519 30 40 BFEB CCC/C(Cl)=N\O[P@@](=O)(OC)N(C)C 100740628 SIXYMCQSDNFFFV-KGXGESDWSA-N 242.643 2.672 30 40 BFEB Cn1nc(C2CC2)cc1C#C[Si](C)(C)C 216572142 WLYXOUHZHOJDPN-UHFFFAOYSA-N 218.376 2.526 30 40 BFEB CO/N=C/C=C1/N(C)c2ccccc2C1(C)C 3178182 NIHODXQKPNJYLZ-XHWVFBAXSA-N 230.311 2.930 30 40 BFEB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(C#N)cc2)C1 3287616 ZOXBSFNCRSTDQP-RYUDHWBXSA-N 242.322 2.676 30 40 BFEB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)cc1 3429851 UQIUFTWAZPUOHI-BXUZGUMPSA-N 242.322 2.867 30 40 BFEB CN(C(=O)OC(C)(C)C)c1ccc(C#N)cc1 61954885 QCGUUPBIHKRCKA-UHFFFAOYSA-N 232.283 2.930 30 40 BFEB N#CC1(c2ccnc(C(F)(F)F)c2)CC1 95094259 HENOONYQMXNOPG-UHFFFAOYSA-N 212.174 2.656 30 40 BFEB N#Cc1c(F)cccc1OC(F)(F)Cl 95215475 BFOKMIREQHZPTB-UHFFFAOYSA-N 221.565 2.865 30 40 BFEB CC(C)C1=C(O)C(=O)c2ccccc2C1=O 100685317 LHLQVTCXGQBUMQ-UHFFFAOYSA-N 216.236 2.534 30 40 BFEB CCn1nc(C)c(C#C[Si](C)(C)C)c1C 203600104 PFVLEIUFTLTIOF-UHFFFAOYSA-N 220.392 2.749 30 40 BFEB Oc1ccccc1C=NN=Cc1ccccc1O 263608083 STOVYWBRBMYHPC-UHFFFAOYSA-N 240.262 2.551 30 40 BFEB CCCCCCCNC(=S)OCC 1737613 XTGALXRCFNCYBS-UHFFFAOYSA-N 203.351 2.868 30 40 BFEB CCCCCCCCS[C@@H](C)C(N)=O 2043865 VEFIMOIFFKQCTC-JTQLQIEISA-N 217.378 2.954 30 40 BFEB Cc1cc(C)c(C#N)c(SCCC#N)n1 3449255 OCTAFTIHVLFMKI-UHFFFAOYSA-N 217.297 2.576 30 40 BFEB COc1cccc(/N=C/c2ccc(O)cc2O)c1 13130591 NKYUKROTGDGGHB-OQLLNIDSSA-N 243.262 2.857 30 40 BFEB biogenic N#CCc1ccc(OCc2ccccn2)cc1 19518472 HEBWZJBTVOOMCU-UHFFFAOYSA-N 224.263 2.727 30 40 BFEB in-vitro COc1ccccc1-n1c(C)cc(C#N)c1C 32015196 JFKHRXISPQAUCZ-UHFFFAOYSA-N 226.279 2.974 30 40 BFEB C=CCOc1cc(Cl)sc1C(=O)O 96510908 ZQUYUXKCVMCVIG-UHFFFAOYSA-N 218.661 2.665 30 40 BFEB CC(C)(C)OC(=O)N1CC2(CC[C@H](C#N)C2)C1 306877399 CIUGZGBEMDTZCR-JTQLQIEISA-N 236.315 2.547 30 40 BFEB N#CCCCSc1nnc(-c2ccco2)o1 9378002 MOWVDUKPZZPBNR-UHFFFAOYSA-N 235.268 2.725 30 40 BFEB N#CC1(NC(=O)c2cccc(Cl)c2)CCCC1 40215049 FXVTWCYULQYNBG-UHFFFAOYSA-N 248.713 2.906 30 40 BFEB CCCCCCCC(OC)(OC)OC 59246384 SAEZBIIRXDZCAB-UHFFFAOYSA-N 204.310 2.940 30 40 BFEB in-vitro CCO[C@H](C)OCC#Cc1ccc(C)c(F)c1 95633692 MAGDIMMGTZCNKE-LBPRGKRZSA-N 236.286 2.885 30 40 BFEB CC(C)(O)C#Cc1ccccc1OC(F)(F)F 95633902 QCYJQIMPZFPQOS-UHFFFAOYSA-N 244.212 2.708 30 40 BFEB C=C[C@@H](N)c1ccccc1C(F)(F)F 95643313 LRRHLLIATWWVCM-SECBINFHSA-N 201.191 2.891 30 40 BFEB N#Cc1ccc(N2CCCC2)c(C#N)c1Cl 139166 VFDVLWDDGGFFNS-UHFFFAOYSA-N 231.686 2.684 30 40 BFEB O=C1O[C@@]2(O[C@H]2c2ccccc2)c2ccccc21 1633148 YQDYZPHMROBRNT-ZFWWWQNUSA-N 238.242 2.781 30 40 BFEB N#CC[C@H]1CC(=O)c2[nH]c3ccccc3c2C1 4982815 MQUZKNZMUMRHBL-SECBINFHSA-N 224.263 2.827 30 40 BFEB O=C1CCCC/C1=C/Nc1ccc2c(c1)OCO2 18212629 GHEVUVVZMQETCL-NTMALXAHSA-N 245.278 2.854 30 40 BFEB COc1ccccc1[C@@H](C#N)C(F)(F)F 33606987 SWVVGQSOWXDMQT-MRVPVSSYSA-N 215.174 2.865 30 40 BFEB C[C@H]1C[C@@H](C)CN(c2ccc(C#N)cc2N)C1 35674209 DYVGLWZQBQRNRH-PHIMTYICSA-N 229.327 2.623 30 40 BFEB Cc1oc2cc(C#N)c(C#N)cc2c1[C@@H](C)O 66087643 UQNDWFIZWPPECX-SSDOTTSWSA-N 226.235 2.538 30 40 BFEB Cc1ccc2oc(SCC#N)nc2c1 72626397 WHDCZBVYFBBPME-UHFFFAOYSA-N 204.254 2.752 30 40 BFEB Cc1ccc(C)c([C@@H](O)CN(C)[C@@H](C)CC#N)c1 95413206 JBKLWIYZLQHJKG-ZFWWWQNUSA-N 246.354 2.571 30 40 BFEB Cc1cc(C)c(C#CC[C@H](C)O)cc1C 95633895 UNTVVHBLPLGXMJ-ZDUSSCGKSA-N 202.297 2.734 30 40 BFEB CCc1c(Br)cc(C#N)n1CC 225305567 GAUFWETZNVFCFP-UHFFFAOYSA-N 227.105 2.705 30 40 BFEB C#CC12CCC(NC(=O)OC(C)(C)C)(CC1)C2 306145732 OTJVRNCYJCEGKS-UHFFFAOYSA-N 235.327 2.847 30 40 BFEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccco1 620317566 WAXSYWXUHAUNTF-PHIMTYICSA-N 217.268 2.603 30 40 BFEB COc1cc(Cl)nc(/N=C/c2ccccc2)n1 5357704 PJCLKKXETOWOTI-RIYZIHGNSA-N 247.685 2.889 30 40 BFEB CC[C@@](C)(C#N)NC(=O)c1cccc(Cl)c1 40357289 WFCCTCRQKKPKJY-LBPRGKRZSA-N 236.702 2.762 30 40 BFEB Cc1nc(OCc2ccccc2)ccc1/C=N/O 72224454 CVIVOHCIAFYUJL-OQLLNIDSSA-N 242.278 2.777 30 40 BFEB CCN(CC#N)Cc1cccc(Cl)c1F 92399150 ODWLXORJEDWXKS-UHFFFAOYSA-N 226.682 2.825 30 40 BFEB C=C(C)CN(CC)C(=O)Nc1ccncc1F 97135524 BBNFONSKDOMSEB-UHFFFAOYSA-N 237.278 2.651 30 40 BFEB C/C(=C/c1cc(C#N)cs1)c1cnccn1 97164182 QVBWAEAUIKAQNX-WTKPLQERSA-N 227.292 2.970 30 40 BFEB CCCCCCCC[C@@H]1C[C@@H]1C(=O)NO 98007381 WRPQMDNDRIIPNA-MNOVXSKESA-N 213.321 2.879 30 40 BFEB N#Cc1cncc(Oc2ccc(C=O)cc2)c1 114751002 SFOOZDJICLEVQU-UHFFFAOYSA-N 224.219 2.558 30 40 BFEB N#Cc1c(OC(F)(F)F)ccc(F)c1F 396089199 UVFLKHNEJCICDU-UHFFFAOYSA-N 223.100 2.735 30 40 BFEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCC(C)C 660207293 YOVFBSBTEAUJHC-TXEJJXNPSA-N 222.332 2.535 30 40 BFEB CSc1ccccc1/N=C1\CCCN1 2638120 PEPMMUUAJQKNLI-UHFFFAOYSA-N 206.314 2.822 30 40 BFEB C=C(C)[C@H]1CC=C(C)C(=O)[C@]1(C#N)CCC(C)=O 4114352 WFNMQRARGXZPLZ-HIFRSBDPSA-N 245.322 2.977 30 40 BFEB Cc1cc(C)n(-c2ccc(CC#N)cc2)n1 4207289 OKHRZEVOJOUREQ-UHFFFAOYSA-N 211.268 2.555 30 40 BFEB in-vitro Cc1ccc(C(=O)/C=C/c2cnn(C)c2)c(C)c1 14179016 DZVDQLFTWOAVEA-FNORWQNLSA-N 240.306 2.933 30 40 BFEB N#CCc1cccc(C(F)(F)F)c1[N+](=O)[O-] 169801721 ZYARJAMWBYPWQC-UHFFFAOYSA-N 230.145 2.680 30 40 BFEB CC(=O)C1=C(Br)CCCC1 196347680 IJVRKDQYKVQHNA-UHFFFAOYSA-N 203.079 2.798 30 40 BFEB CCCOC(=O)[C@H]1O[C@]1(C)c1ccc(C)cc1 1733589 LCWUANUUEDYERB-TZMCWYRMSA-N 234.295 2.562 30 40 BFEB Cc1nc2ccccc2n1[C@@H]1CCC/C1=N\O 5337948 MXUDEFDANMBUBS-WDGDVPDHSA-N 229.283 2.900 30 40 BFEB O=[N+]([O-])c1ccc(/C=N\N=C/c2ccco2)cc1 16919145 ZGMLBZYISUQBET-QKPPEBSVSA-N 243.222 2.641 30 40 BFEB CC[C@@H](C#N)N[C@@H](C)Cc1ccccc1 31937855 XSFNXMWYXXKEGX-AAEUAGOBSA-N 202.301 2.509 30 40 BFEB C=C(C(=O)O)[C@@H]1CC[C@H](C)[C@H]2CC(=O)C(C)=C2C1 33833544 ZFHSKBJBODQVBX-XXILOJSOSA-N 248.322 2.969 30 40 BFEB biogenic,in-vitro N#Cc1ccc(C(=O)COc2ccccc2)cc1 35224920 GKNOXBDLMVRMHS-UHFFFAOYSA-N 237.258 2.820 30 40 BFEB N#Cc1ccc(-n2cc(Cl)cn2)c(F)c1 38053460 UKNQAXQLDIQGCX-UHFFFAOYSA-N 221.622 2.536 30 40 BFEB in-vitro Cc1cc(C#N)cnc1N(C)Cc1ccccc1 72222350 FYJMRJUWNQGKMY-UHFFFAOYSA-N 237.306 2.898 30 40 BFEB COc1ccccc1OCC1(C#N)CCC1 85390347 NUOLUWCQMIAORZ-UHFFFAOYSA-N 217.268 2.768 30 40 BFEB C/C=C/C(=O)c1cc(F)c(F)c(OC)c1 308816120 VOICOMIAALGNQD-ONEGZZNKSA-N 212.195 2.732 30 40 BFEB CCC[C@@H]1N=C(SC)N(C)C(C)=C1C(C)=O 408730799 IRHLTVNKOVXJFI-JTQLQIEISA-N 240.372 2.683 30 40 BFEB Cl/N=C1\C=CC(Cl)=C\C1=N/Cl 17747587 BVGZZKCRZBKROR-YOYBCKCWSA-N 209.463 2.869 30 40 BFEB COc1ccccc1NC(=O)C1(C#N)CCCC1 20962460 RGDPHFSOIKXEAI-UHFFFAOYSA-N 244.294 2.718 30 40 BFEB CCCCCCCNc1cc(C)nc2ncnn12 71295298 RDPQKERGSHHMJG-UHFFFAOYSA-N 247.346 2.815 30 40 BFEB CCc1nc(C)cn1[C@H]1/C(=N/O)[C@H]2CC[C@H]1C2 100965652 BTHRSGCFDKFCQP-ATDHELISSA-N 233.315 2.555 30 40 BFEB CCCCn1c(C#N)cc(C=O)c1CC 225303599 VPUGMRNFGDCSJS-UHFFFAOYSA-N 204.273 2.535 30 40 BFEB Cn1cccc1/C=N\c1ccc2c(c1)OCO2 409103305 VXDOJGMCQDHOHM-ZSOIEALJSA-N 228.251 2.504 30 40 BFEB CCCCCCCC[C@@H](O)CC(=O)OC 2568186 ODWHGFYACOPLGF-LLVKDONJSA-N 216.321 2.661 30 40 BFEB in-vitro C/C=N/N/C(=N/c1ccccc1)SC 6562318 BJVYQSXDSPZBAE-QDEBKDIKSA-N 207.302 2.632 30 40 BFEB C#CCN[C@H](C)c1cccc(Br)c1 19875436 JFTPFADHYPKUQB-SECBINFHSA-N 238.128 2.733 30 40 BFEB C[C@@H](c1nc2ccccc2s1)N(C)CC#N 40468391 ALZKVBRVPCKLLV-VIFPVBQESA-N 231.324 2.813 30 40 BFEB C#Cc1cccc(NC(=O)N(C)[C@@H](C)C2CC2)c1 40526888 DSHLPZFZVPCTDC-NSHDSACASA-N 242.322 2.930 30 40 BFEB C=C(Br)CN(CCC#N)CC1CC1 89893905 SRXVKPZKWHUEPX-UHFFFAOYSA-N 243.148 2.521 30 40 BFEB Cc1ccc(/[N+]([O-])=C/c2ccc(O)cc2)cc1 94993251 FWKOFSBOWGBYAI-GDNBJRDFSA-N 227.263 2.962 30 40 BFEB N#Cc1ccc(C(=O)C(F)(F)C(F)(F)F)cc1 575242828 KKUMWNPNQRHPNH-UHFFFAOYSA-N 249.138 2.939 30 40 BFEB CCOC(=O)[C@@H]1O[C@@]12C[C@H](C)CC(C)(C)C2 5857722 RMWIEEYTJKQJFF-GBIKHYSHSA-N 226.316 2.533 30 40 BFEB N#Cc1ccccc1Cn1cnc2ccccc21 15551334 ZLRJVVUFIRCVSQ-UHFFFAOYSA-N 233.274 2.956 30 40 BFEB COc1cccc(N/N=C(\C)c2ccc[nH]2)c1 19339603 UQAJGNAJWXVDNE-XNTDXEJSSA-N 229.283 2.859 30 40 BFEB O=C1/C(=C/c2ccccc2Cl)N2CCC1CC2 32513844 WNICXJVIQXXISD-LCYFTJDESA-N 247.725 2.976 30 40 BFEB C[C@H](c1ccccn1)N(C)c1ncccc1C#N 78679829 WNDNCYYLDRJCSF-LLVKDONJSA-N 238.294 2.546 30 40 BFEB Cn1cccc1/C=N/c1cccc(F)c1 409100430 NFVASRGWWJLEQN-NTEUORMPSA-N 202.232 2.915 30 40 BFEB C=C1C(=O)O[C@@H]2C[C@H](C)C(CCC(C)=O)=CC[C@H]12 4098195 AVFIYMSJDDGDBQ-CUOATXAZSA-N 248.322 2.810 30 40 BFEB biogenic,in-vitro CCCCC/C(=N\OCc1ccccc1)C(N)=O 5048428 FNVBOWTZTLJJKT-DTQAZKPQSA-N 248.326 2.625 30 40 BFEB C/C=C\C=C\C(=O)c1ccc(OC)cc1O 17005695 NWVHMNPNVNFNFQ-DNVGVPOPSA-N 218.252 2.716 30 40 BFEB N#C[C@@H](N)c1ccc(Cl)cc1Cl 20176971 YUHMUFYMXADDHU-MRVPVSSYSA-N 201.056 2.517 30 40 BFEB in-vitro C[C@H](C=O)c1ccccc1Br 34452355 HTKTXCAKKKTRSF-SSDOTTSWSA-N 213.074 2.752 30 40 BFEB COc1ccccc1-c1ncccc1C#N 65381078 QFDHMBNYVDIYFX-UHFFFAOYSA-N 210.236 2.629 30 40 BFEB C#Cc1cccc(N[C@H](C)CCn2cccn2)c1 188077924 WGPMVQSMCHXEDZ-CYBMUJFWSA-N 239.322 2.755 30 40 BFEB CCCCOC(=O)[C@]1(C)O[C@@H]1c1ccccc1 1734141 BUSAPNYJIMUSIH-TZMCWYRMSA-N 234.295 2.860 30 40 BFEB C=C1C[C@H](C)O[C@H](C(C)(C)CN(C)C)C1 3152174 KMOSNQZZROCJCC-RYUDHWBXSA-N 211.349 2.698 30 40 BFEB biogenic CCOC(=O)[C@@H](C#N)[C@H]1CCC[C@H](C)CC1 4691798 MLKBVLYMGYYCCS-SRVKXCTJSA-N 223.316 2.906 30 40 BFEB N#CC1=NN[C@@H](c2ccc(Cl)cc2)S1 5570066 IRKLXDHDYXUQSP-SECBINFHSA-N 223.688 2.512 30 40 BFEB N#Cc1cnc2c(F)cccc2c1Cl 16697571 DPDJYAMGLVCYRW-UHFFFAOYSA-N 206.607 2.899 30 40 BFEB N/C(=N/O)c1ccccc1Sc1ccccc1 17185427 WQMKXOMVQGEUCY-UHFFFAOYSA-N 244.319 2.932 30 40 BFEB C=CCc1c(Cl)nc(C)nc1Cl 22114738 APGYFDQRXYNDHT-UHFFFAOYSA-N 203.072 2.820 30 40 BFEB Cc1nc(NCc2ccccc2)ccc1C#N 72224404 AWSRGOPGYWLBQS-UHFFFAOYSA-N 223.279 2.874 30 40 BFEB Cc1ccc(C[C@H](C#N)Sc2ncc[nH]2)cc1 78989972 JABABRAGUOGHPX-GFCCVEGCSA-N 243.335 2.945 30 40 BFEB C[C@H](CC#N)OC(=O)C1=CCCCCC1 97164156 CWXFNPOVRBZXCC-SNVBAGLBSA-N 207.273 2.722 30 40 BFEB C#Cc1sc(N2CCCC2)nc1C(F)(F)F 218731850 YOMISHXEXMPGQQ-UHFFFAOYSA-N 246.257 2.743 30 40 BFEB COC(=O)c1sc(Cl)c(Cl)c1C#N 1857779054 IOEOVSHVLPRTJY-UHFFFAOYSA-N 236.079 2.713 30 40 BFEB Cc1ccc(Nc2oc(C)nc2C#N)cc1 374189 FZICQODIUQMFBY-UHFFFAOYSA-N 213.240 2.907 30 40 BFEB O=[N+]([O-])c1ccc(NN=C2CCCC2)cc1 5513720 QPYVOOSFOUFJIS-UHFFFAOYSA-N 219.244 2.937 30 40 BFEB C#CCO[C@H](C)n1cccc1-c1ccco1 6183618 BEVHJNGIRANNTF-LLVKDONJSA-N 215.252 2.916 30 40 BFEB C=CCNC(=S)N[C@H]1CCCc2ccccc21 6262044 SHQNXVXQMSCHPY-ZDUSSCGKSA-N 246.379 2.714 30 40 BFEB N#Cc1cccc(COc2ccc(C=O)cc2)c1 14214856 IXIGOQRTYPMSPJ-UHFFFAOYSA-N 237.258 2.950 30 40 BFEB Cc1cc(C#N)cc([N+](=O)[O-])c1Br 35569498 WPMLWHKJFXJJKS-UHFFFAOYSA-N 241.044 2.537 30 40 BFEB C[C@@H](C=O)c1cccc(Br)c1 39295754 TXYJSKCUTXIIGJ-ZETCQYMHSA-N 213.074 2.752 30 40 BFEB N#CCc1cc(F)ccc1OC(F)(F)F 71867289 WELQODZMFVPSHH-UHFFFAOYSA-N 219.137 2.790 30 40 BFEB CC1(C)[C@@H]2CC=C(Br)C(=O)[C@@H]1C2 101051244 UPPAJWJACJKKNB-RQJHMYQMSA-N 229.117 2.900 30 40 BFEB CC(=O)/C=C/[C@@H]1CCCN1C(=O)OC(C)(C)C 238036230 PXEJJFUXXGPMCU-AEZGRPFRSA-N 239.315 2.531 30 40 BFEB N#C[C@H]1CCCc2cc3c(nc21)CCCC3 34071311 SOJIKZOLOLHKOH-GFCCVEGCSA-N 212.296 2.904 30 40 BFEB CN(C(=O)C1CCCC1)c1cccc(C#N)c1 59095583 ONXVTHUUTUHCGC-UHFFFAOYSA-N 228.295 2.711 30 40 BFEB CCCCCCCCNC(=S)n1cccn1 59663609 ICBQWVLDIZYBEW-UHFFFAOYSA-N 239.388 2.966 30 40 BFEB C=CCC[C@H](CC)N[C@H]1CCCC[C@@H]1O 95967967 WIERRMCYSNNWID-AVGNSLFASA-N 211.349 2.624 30 40 BFEB CO/N=C(\C)c1cnn(-c2ccc(F)cc2)c1C 98055407 OQRAKKFQYYCLMP-CXUHLZMHSA-N 247.273 2.690 30 40 BFEB C#Cc1ccccc1OCC(F)(F)F 169797003 BQFAKTOPDRVPHF-UHFFFAOYSA-N 200.159 2.609 30 40 BFEB C/N=C1/S/C(=C/c2ccc(C)cc2)C(=O)N1C 408929692 MQIIQXPTPSJDRL-ZOBWXTBZSA-N 246.335 2.527 30 40 BFEB C(=N/Nc1ccccc1)\c1ccc2c(c1)OCO2 4128391 BXPJESDAKFUKSF-OQLLNIDSSA-N 240.262 2.861 30 40 BFEB N#Cc1ccc(COc2ccccc2C=O)cc1 5771857 KSILSBXPRUHERZ-UHFFFAOYSA-N 237.258 2.950 30 40 BFEB NC(N)=Nc1cc2ccccc2c2ccccc12 6576387 OTMNKUFLYIQWDV-UHFFFAOYSA-N 235.290 2.898 30 40 BFEB C=CCc1c(C)[nH]c2c(C)cccc2c1=O 8740167 BWKYLJUWIMCNBN-UHFFFAOYSA-N 213.280 2.873 30 40 BFEB biogenic C/C(=N/Oc1nc(C)cc(C)n1)c1ccccc1 12338651 QWEBDNWAXUSOAF-ATVHPVEESA-N 241.294 2.896 30 40 BFEB C=C(Br)CNCc1ccccc1 57466683 VTZNTXQISCQQLW-UHFFFAOYSA-N 226.117 2.685 30 40 BFEB C#CCn1cc(-c2ccc(Cl)cc2)cn1 85391485 WPZUUXYVEXWWEP-UHFFFAOYSA-N 216.671 2.837 30 40 BFEB CCc1c[nH]c(SCCCCC#N)n1 89282713 RGJBMGUVNUQHTE-UHFFFAOYSA-N 209.318 2.758 30 40 BFEB CCC(=O)OCC#Cc1cccc(C)c1C 95632037 SZUGJOMRZFMZFV-UHFFFAOYSA-N 216.280 2.608 30 40 BFEB C#CCN[C@@H](c1ccc(OC)cc1)C(F)(F)F 97056133 SWNBLVPXLDAHDO-NSHDSACASA-N 243.228 2.521 30 40 BFEB CC(=O)c1ccc(F)cc1NC(=O)C(C)(C)C#N 97107050 OIJGNJJXLRWCRI-UHFFFAOYSA-N 248.257 2.517 30 40 BFEB C=C1OC(=O)O[C@@]1(C)[C@@H]1C[C@H]2C=C[C@H]1C2 100016601 WRUOIXMDVJRLKX-UXCLJVHYSA-N 206.241 2.638 30 40 BFEB O=C(/C=C\c1ccco1)CCN1CCCCC1 6058980 RFXOHIPPVIYVPW-SREVYHEPSA-N 233.311 2.738 30 40 BFEB N#Cc1ccc(N2CCc3sccc3C2)nc1 14324648 IKAXXPKKVRZDLG-UHFFFAOYSA-N 241.319 2.577 30 40 BFEB O=[N+]([O-])c1ccc(/C=N\N2CCCCCC2)cc1 31659081 YEFOWGFKCOZUDR-KAMYIIQDSA-N 247.298 2.805 30 40 BFEB COc1cc(OC)cc(C2(C#N)CCC2)c1 36373216 LMMZTVODBSHPIT-UHFFFAOYSA-N 217.268 2.649 30 40 BFEB C[C@H]1CCC[C@H](Nc2ccc(C#N)cn2)C1 37251666 AHQYOMGHFQAWQW-JQWIXIFHSA-N 215.300 2.944 30 40 BFEB C=CCNC(=O)[C@H](CCC)c1ccccc1 44867028 DQCHDZWGRVKTPV-CYBMUJFWSA-N 217.312 2.873 30 40 BFEB N#CCN(Cc1c(F)cccc1Cl)C1CC1 44892919 JZWIQKQKVAOZQQ-UHFFFAOYSA-N 238.693 2.967 30 40 BFEB N#Cc1cnc(Cl)c(C(F)(F)F)c1 71244799 QEQPZFWFBSRJNA-UHFFFAOYSA-N 206.554 2.625 30 40 BFEB O=CCC(=O)c1cc(Cl)ccc1Cl 101835805 WAYXKUZJSDWLKH-UHFFFAOYSA-N 217.051 2.765 30 40 BFEB C=CCO[C@@H]1[C@H]2CC[C@H]1N(Cc1ccc(C)o1)C2 107062232 UJSAINBGISMLJO-NWANDNLSSA-N 247.338 2.753 30 40 BFEB CCCCCCCC1N(C)CCCN1C 19319387 LWECKUMROIGAQQ-UHFFFAOYSA-N 212.381 2.940 30 40 BFEB N#CCC(=O)c1ccc(Br)s1 19509531 LKOVNZVKMAKROL-UHFFFAOYSA-N 230.086 2.607 30 40 BFEB COc1cc(C(F)(F)F)ccc1CC#N 38530004 UYCNAZIBJNOIEY-UHFFFAOYSA-N 215.174 2.780 30 40 BFEB Cc1cc(F)cc(C(=O)N(CC#N)C(C)C)c1 97014450 PJJIPIFULXUFRF-UHFFFAOYSA-N 234.274 2.508 30 40 BFEB N#CC1(COC(=O)c2ccco2)CCCC1 97236345 HHMLLNUUILPSAK-UHFFFAOYSA-N 219.240 2.520 30 40 BFEB CC(C)c1ccc([C@H]2CNC[C@@H]2C#N)cc1 409422457 GCGWYBFXZBZMLB-UONOGXRCSA-N 214.312 2.637 30 40 BFEB CCO/C(S)=N/c1ccccc1[N+](=O)[O-] 5807833 FJCYSKGHWFYFLI-UHFFFAOYSA-N 226.257 2.549 30 40 BFEB N#Cc1ccccc1-n1cnc2ccccc21 12397829 OENXQLAWUPRDQB-UHFFFAOYSA-N 219.247 2.897 30 40 BFEB CCN(CC)Cc1cn2ccccc2c1C#N 58229178 DNUMNLWGCMVFND-UHFFFAOYSA-N 227.311 2.653 30 40 BFEB O=C1C2=CC=CC=C(C2)C(=O)C2=CC=CC=C1C2 68568441 KZGAVZQBBXMVGS-UHFFFAOYSA-N 236.270 2.764 30 40 BFEB FCCCOC(F)(F)[C@H](F)C(F)(F)F 72265686 CNWHQAFZRKHOBL-SCSAIBSYSA-N 228.107 2.856 30 40 BFEB C=CCSCc1nnc(C(C)(C)C)o1 95965650 MVRUNOPWUQIPTJ-UHFFFAOYSA-N 212.318 2.786 30 40 BFEB CC[C@H](C)n1nc(C2CCCC2)c(C#N)c1N 225832783 VKTTYKFKZKRQKH-VIFPVBQESA-N 232.331 2.966 30 40 BFEB Cc1cccc(Cn2c(C#N)cc(N)c2Cl)c1 225890151 AVSAPVQOTXCQJJ-UHFFFAOYSA-N 245.713 2.952 30 40 BFEB N#Cc1c(F)cccc1C(=O)c1ccccc1 1400317 NDDNZKARXPHLBK-UHFFFAOYSA-N 225.222 2.928 30 40 BFEB C=CCNCCOc1cc(C)cc(C)c1C 4568350 ZPBFEZPAFOXBTN-UHFFFAOYSA-N 219.328 2.766 30 40 BFEB CCOC(=O)Nc1sc2c(c1C#N)CCC2 5672646 MHRJJTWJKOTRNI-UHFFFAOYSA-N 236.296 2.677 30 40 BFEB Cc1cc(C#CCN(C)C)ccc1Cl 95631686 VQXMQWHKWZZBEP-UHFFFAOYSA-N 207.704 2.562 30 40 BFEB C=C(C)CN1C[C@H](C)N(CC(=C)C)[C@@H](C)C1 191139205 YYQARNHGAHEMRM-KBPBESRZSA-N 222.376 2.533 30 40 BFEB CCCn1c(C#N)cc(N)c1N1CCCCCC1 225872367 VGWNYLLIJUVRJO-UHFFFAOYSA-N 246.358 2.732 30 40 BFEB Cc1ccc2[nH]cc(/C(Cl)=N/O)c2c1 228914841 LAWMLJHLCMKLAG-RAXLEYEMSA-N 208.648 2.851 30 40 BFEB CCn1cc(C(C)(C)C)c(C#N)c1NC(C)=O 51815 UGJOWSJZCHAWAQ-UHFFFAOYSA-N 233.315 2.636 30 40 BFEB COc1ccc(/C=N/c2nc(C)cc(C)n2)cc1 3020444 BVDAQVUNEOWRNK-OQLLNIDSSA-N 241.294 2.853 30 40 BFEB C=CCNC(=O)Oc1cccc2cccnc12 3091446 MEZYFDNWDDLADU-UHFFFAOYSA-N 228.251 2.509 30 40 BFEB C=C1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(C)O[C@@]34C[C@H]12 4028584 BSZNUAGWEMADPW-BBIZWXPBSA-N 248.322 2.596 30 40 BFEB biogenic [O-]/[N+](=C\c1ccncc1)Cc1ccccc1Cl 12959150 SCMOVZPJXDYZQE-SXGWCWSVSA-N 246.697 2.864 30 40 BFEB C=C1C(=O)O[C@H]2/C=C(\C)[C@H](O)C/C=C(\C)CC[C@@H]12 16027969 XQVSREKNQZKAKU-XJFMPJLASA-N 248.322 2.522 30 40 BFEB biogenic,in-vitro C=CCN(CC=C)C(=O)Nc1ccc(C#N)cc1 36395938 CQTBRRDCQPPDPI-UHFFFAOYSA-N 241.294 2.764 30 40 BFEB C[C@H](c1nc2ccccc2s1)N(C)CC#N 40468393 ALZKVBRVPCKLLV-SECBINFHSA-N 231.324 2.813 30 40 BFEB Cc1nc(Oc2ccccc2)ccc1/C=N/O 72224187 DLFKCCNIVGPYRT-NTEUORMPSA-N 228.251 2.990 30 40 BFEB CCCCOc1ccc(/C=N\O)cc1OC 100177815 RECLEGUQTFXNDS-LCYFTJDESA-N 223.272 2.682 30 40 BFEB CCCCCCCCOC(=O)[C@H](C)OC(C)=O 100313283 UMNCSZZKGJUPKA-NSHDSACASA-N 244.331 2.842 30 40 BFEB CC(C)(C)[S@](=O)/N=C\c1ccccc1 118801043 KHEXSXPVKHWNOZ-FWLQQBITSA-N 209.314 2.568 30 40 BFEB C=CCC[C@@H](C)Nc1ccc2c(c1)oc(=O)n2C 195561785 FWRKOHJJDXLODF-SNVBAGLBSA-N 246.310 2.898 30 40 BFEB CC[C@@H](C#N)SCCC(=O)OC(C)(C)C 225641535 KGKVOCQYCWYGPH-VIFPVBQESA-N 229.345 2.754 30 40 BFEB C[C@@H]1O[C@H](C)CC2=C1C(=O)c1ccccc1C2=O 1592904 IQCSFOBYTJBFFN-BDAKNGLRSA-N 242.274 2.560 30 40 BFEB CC1(C)OC(=O)[C@H](C#N)[C@@H]1c1ccc(Cl)cc1 1703228 LZFLUYJCMQZCNZ-MNOVXSKESA-N 249.697 2.899 30 40 BFEB N#Cc1cccc(NC(=O)c2ccsc2)c1 11372382 GZAVJFNDFACOLL-UHFFFAOYSA-N 228.276 2.872 30 40 BFEB N#CCCCN1CCC[C@@H]2CCCC[C@@H]21 35174420 HWNDORSIEYMORI-STQMWFEESA-N 206.333 2.945 30 40 BFEB C=CCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 58016294 BCDWMTHARICJQQ-CYBMUJFWSA-N 245.322 2.781 30 40 BFEB C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CC#N 76811591 NOJHQCNRNULPKZ-CMPLNLGQSA-N 218.275 2.527 30 40 BFEB CCN1C=CC(=CC=C2C=CC(=O)C=C2)C=C1 98086368 FAYMISCMXFZXMY-UHFFFAOYSA-N 225.291 2.897 30 40 BFEB COc1ccc2cc(C#N)c(=S)[nH]c2c1 6533669 BVWBDRFIVYOYIC-UHFFFAOYSA-N 216.265 2.778 30 40 BFEB CCC/N=C/c1cc2cc(OC)ccc2nc1O 9158349 LGLTWGONYBKVSK-OQLLNIDSSA-N 244.294 2.778 30 40 BFEB Cc1ccc(-c2ccc(/C=N/O)o2)c([N+](=O)[O-])c1 20357315 BTOJERMQFQHHGS-NTUHNPAUSA-N 246.222 2.971 30 40 BFEB N#Cc1cccc(NC(=O)Nc2cccnc2)c1 53781510 SYFBKGUAKKVABB-UHFFFAOYSA-N 238.250 2.597 30 40 BFEB O/N=C1\CCOc2c(Cl)ccc(Cl)c21 73658715 VOZIIEHDUSGPPW-KPKJPENVSA-N 232.066 2.954 30 40 BFEB COCC1CCN(c2cccc(F)c2C#N)CC1 78468481 SELHDSRWAFFANA-UHFFFAOYSA-N 248.301 2.560 30 40 BFEB CC(C)N(Cc1cccc(C#N)c1)CC(C)(C)O 84597277 LRGSEJXQKLHHQI-UHFFFAOYSA-N 246.354 2.540 30 40 BFEB N#CCCCSc1cccc(C#N)c1 89780778 KKIUWASXXINTOS-UHFFFAOYSA-N 202.282 2.954 30 40 BFEB CCCCc1ccc(C#C[C@@H](C)O)cc1 95633274 YBZHILYOBBKRMZ-GFCCVEGCSA-N 202.297 2.762 30 40 BFEB O=[N+]([O-])c1cccc2c1/C(=N/O)c1ccccc1-2 104085904 IREFCDMUZQMTKX-BUHFOSPRSA-N 240.218 2.802 30 40 BFEB CC[C@@H](CC#N)OC(=O)c1ccsc1 188056228 UZCPGXMIUFAWJF-VIFPVBQESA-N 209.270 2.597 30 40 BFEB N#CCc1csc(-c2ccccc2)n1 1718645 KUEZREUCXWHVPK-UHFFFAOYSA-N 200.266 2.876 30 40 BFEB in-vitro Cc1cc(C)nc(N/N=C/c2ccc(F)cc2)n1 3893648 JMQSTYOWBYSBTR-OVCLIPMQSA-N 244.273 2.679 30 40 BFEB CCOC(=O)[C@](C)(C#N)C1=CCCCC1 4718904 ZEONYZULERIQDF-GFCCVEGCSA-N 207.273 2.580 30 40 BFEB C/C=C/C=C/C(=O)Nc1ccc(CC#N)cc1 8125723 NCXNUXJNCWFEOV-MQQKCMAXSA-N 226.279 2.823 30 40 BFEB N/C(=C\C(=O)c1ccccc1)c1ccccc1 13406393 CDFSTMGURUSUMJ-KAMYIIQDSA-N 223.275 2.869 30 40 BFEB C=CCc1ccccc1O[C@H]1CCCNC1 14631670 WTQHYGPQAHXXGG-ZDUSSCGKSA-N 217.312 2.546 30 40 BFEB in-vitro Cc1ccsc1CNc1ccc(C#N)cn1 26730830 KTDVZUKTFVRDEC-UHFFFAOYSA-N 229.308 2.935 30 40 BFEB Cc1ccc(C2(C#N)CCC(=O)CC2)cc1 39251583 RYTSBLXGZFFBOQ-UHFFFAOYSA-N 213.280 2.900 30 40 BFEB in-vitro COc1ccc(CN(CCCC#N)C2CC2)cc1 49975066 YRNHUWKJPZYUHL-UHFFFAOYSA-N 244.338 2.963 30 40 BFEB CC(=O)/C=C(\O)c1c(C)[nH]c2ccccc12 104126772 FDCJIQPOWYVSHN-GHXNOFRVSA-N 215.252 2.964 30 40 BFEB CC1=C[C@H]2[C@@H](CC1=O)[C@H](C)C[C@@H](O)[C@H]2C(C)C 14918468 KLDSZMWMGCWFKH-ONAWRNRTSA-N 236.355 2.811 30 40 BFEB biogenic C=CC[C@@H](O)c1cc(F)c(F)c(F)c1 22003221 UHCJGPSJZSWUJM-SECBINFHSA-N 202.175 2.713 30 40 BFEB CC(C)C(=O)[C@H](C#N)c1ccc(F)cc1 36930916 JBQOPAWGHUOSPV-LLVKDONJSA-N 205.232 2.658 30 40 BFEB Oc1ccc(/C=N\c2ccccc2O)cc1 104253572 KILNMRJUXROOCU-ZROIWOOFSA-N 213.236 2.848 30 40 BFEB CC[C@H](C)/C(=N\O)c1cc(C)ccc1O 5468472 HKFMGQOAQVHCFQ-XRNDOFNESA-N 207.273 2.925 30 40 BFEB C=C(C)CNC(=S)N[C@H](C)c1ccccc1 6331014 MUIMBPLAYCIWLK-LLVKDONJSA-N 234.368 2.788 30 40 BFEB COc1ccc(CC#N)c(Br)c1 34482768 HGIMMKGDPPDRTN-UHFFFAOYSA-N 226.073 2.524 30 40 BFEB N#CCN1CCC[C@@H]1c1nc2ccccc2s1 48381091 KRLLDFZSONXPLW-LLVKDONJSA-N 243.335 2.957 30 40 BFEB N#CCCSc1ncccc1Br 70614889 CPNDZIHTGSAJCO-UHFFFAOYSA-N 243.129 2.850 30 40 BFEB C=CCNC(=O)N1C[C@H](C)Cc2ccccc21 78550617 WRBDZWRDNJEOKS-LLVKDONJSA-N 230.311 2.581 30 40 BFEB CC1(C)CC(=O)C(/C=N/c2ccccc2)C(=O)C1 100098448 YVPZUXGVEHSRMM-MHWRWJLKSA-N 243.306 2.963 30 40 BFEB Cc1ccc(Cl)cc1-n1nc(C)c(C#N)c1N 604941615 ZOVYOQKLVJFRCW-UHFFFAOYSA-N 246.701 2.596 30 40 BFEB N#CCOC(=O)c1cc2c(s1)CCCCC2 6548728 PKCZZZNQVLJEDJ-UHFFFAOYSA-N 235.308 2.697 30 40 BFEB ON=C1CCN(Cc2ccc(Cl)cc2)CC1 12505510 HIKQQCHCHAFXGT-UHFFFAOYSA-N 238.718 2.766 30 40 BFEB C=C(C)CNC(=S)N(C)c1ccccc1 16138580 UFPQHGNLXBXRSX-UHFFFAOYSA-N 220.341 2.573 30 40 BFEB CC(C)c1ccc(C(=O)/C=C\C(=O)O)cc1 33364664 RVKCMDZQHQJWAK-FPLPWBNLSA-N 218.252 2.634 30 40 BFEB N#Cc1ccc2nc(Cl)nc(Cl)c2c1 45028249 KHWYUDBVRMAWGX-UHFFFAOYSA-N 224.050 2.808 30 40 BFEB N#CC1(C(=O)c2ccc(Cl)cc2)CCOCC1 85395794 LQZKMYFZTKMMCJ-UHFFFAOYSA-N 249.697 2.843 30 40 BFEB CCO[C@@H](C)OCC#Cc1cc(F)cc(F)c1 95631887 WKKUJRRRRXOCTQ-SNVBAGLBSA-N 240.249 2.715 30 40 BFEB Cc1ccc(-n2cccc2C#N)c([N+](=O)[O-])c1 144153660 QFPBMRZVAQZMHL-UHFFFAOYSA-N 227.223 2.566 30 40 BFEB CC(C)Cn1cc(C#C[Si](C)(C)C)cn1 203600093 MZWPHFIDPMWTTK-UHFFFAOYSA-N 220.392 2.768 30 40 BFEB C/C(=N\Nc1nc(C)cs1)c1ccc(O)cc1 409062729 ZUXOQSBQCAIUEA-NTEUORMPSA-N 247.323 2.993 30 40 BFEB C=CCn1c(=O)cc(C)c2cccc(C)c21 1394030 JIQNYOQAVPKNRQ-UHFFFAOYSA-N 213.280 2.804 30 40 BFEB CCOC(C)(OCC)O/N=C/c1ccccc1 1711844 MPTLJRLFGWXKEF-SDNWHVSQSA-N 237.299 2.784 30 40 BFEB CCCCCCC[C@H](C)NCCCO 1717251 CFPXIDOWYVNDDK-LBPRGKRZSA-N 201.354 2.707 30 40 BFEB O=C1CCC/C1=C\c1cccc([N+](=O)[O-])c1 3210571 RILSEHNFNGMDTL-JXMROGBWSA-N 217.224 2.731 30 40 BFEB in-vitro C#CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 3852338 YWLLXHWMXNPEPY-GRYCIOLGSA-N 208.301 2.624 30 40 BFEB biogenic CCCCCCOc1ccc(/C(N)=N/O)cc1 5163176 FQNPEJUAXSAVMQ-UHFFFAOYSA-N 236.315 2.740 30 40 BFEB C[C@@H]1CN(Cc2ccccc2)[C@H](C)C/C1=N\O 9330858 VJXBICUWSHNVFV-GHMKZFAXSA-N 232.327 2.747 30 40 BFEB N#C[C@@H](NCc1ccccc1)c1ccco1 12649905 PLCSCHUOQPWQPN-GFCCVEGCSA-N 212.252 2.634 30 40 BFEB C=CCNC(=O)N[C@H](C)c1ccccc1C 12823155 BUZIUCWNBRQRMG-LLVKDONJSA-N 218.300 2.541 30 40 BFEB CN(Cc1ccc(C#N)cc1)C[C@@H]1CCCCO1 42240479 QLCJMLLLTXBHEV-HNNXBMFYSA-N 244.338 2.559 30 40 BFEB C=C(C)CSc1nncn1CC(F)(F)F 51974537 QYLGZQNICMXJLH-UHFFFAOYSA-N 237.250 2.509 30 40 BFEB Cc1ccc(Br)cc1C(=O)CC#N 83688906 WZOHAVXFMWQZMB-UHFFFAOYSA-N 238.084 2.854 30 40 BFEB C#CCNC(=O)c1oc2ccc(Cl)cc2c1C 84067759 WSRFQYYUXVVRJB-UHFFFAOYSA-N 247.681 2.758 30 40 BFEB CC(=O)/C=C(\O)c1ccc(Br)cc1 101002662 HPMLNAUGJOJXLT-POHAHGRESA-N 241.084 2.937 30 40 BFEB Cc1cs/c(=N/C(C)C)n1/N=C/c1ccco1 103458675 QDFAGOSJEFWZFS-FELDBCONSA-N 249.339 2.642 30 40 BFEB C=C(C)C(=O)OCC(C)(C)C(F)(F)F 1083809149 NGELXVJSTDOKGH-UHFFFAOYSA-N 210.195 2.694 30 40 BFEB N#Cc1ccc2c(c1)[C@H]1CCC[S@]1(=O)=N2 1503350604 DODDSMNPOPGJFY-IAQYHMDHSA-N 218.281 2.506 30 40 BFEB Oc1ccc(/N=C/c2ccc(O)cc2O)cc1 587871 OXKHCZODIOUJKP-RIYZIHGNSA-N 229.235 2.554 30 40 BFEB C=C(C)CSc1nnc(C(F)(F)F)n1C 40457004 PHDPGITUQAPOGL-UHFFFAOYSA-N 237.250 2.502 30 40 BFEB CC(=O)/C=C1/Nc2cc(Cl)ccc2O1 40545718 HAIGNAIZJOUJRA-WMZJFQQLSA-N 209.632 2.575 30 40 BFEB C[C@H]1CC(=O)C=C(Nc2ccccc2N)C1 5211411 JZXYJTMLUYLYID-SECBINFHSA-N 216.284 2.564 30 40 BFEB CC(C)(C)OC(=O)NCC#Cc1cccs1 8754378 FOMUGWYNEQYPNH-UHFFFAOYSA-N 237.324 2.624 30 40 BFEB Cc1ccc(C#N)cc1NC(=O)NCC(C)C 58453685 MHZCVUZKGBVZIQ-UHFFFAOYSA-N 231.299 2.644 30 40 BFEB COc1ccc(C(F)(F)F)c(C#N)c1 71289194 LRPCNNYGBQRKMQ-UHFFFAOYSA-N 201.147 2.586 30 40 BFEB O=C(O)/C(O)=C/C(=O)c1cccc2ccccc12 100487021 HLPZEPLBAVKFOC-JYRVWZFOSA-N 242.230 2.549 30 40 BFEB Cc1ccc(O)c(/C=N/c2c(C)nn(C)c2C)c1 199622 FOLPXVFYTKYITQ-OVCLIPMQSA-N 243.310 2.802 30 40 BFEB C[C@@H](C#N)Sc1ncnc2ccccc12 3440229 OVOWQTXXOGEBDO-QMMMGPOBSA-N 215.281 2.634 30 40 BFEB C=CCc1ccccc1OC1CCNCC1 14631906 BSFMCOLVTWOQDC-UHFFFAOYSA-N 217.312 2.546 30 40 BFEB in-vitro C=CCSc1nc2ccccc2n1C(=O)OC 17117865 LVYCVGYNFVESKM-UHFFFAOYSA-N 248.307 2.929 30 40 BFEB CN(Cc1ccccc1F)c1cc(C#N)ccn1 42238085 VEIPBDMFPPFHLU-UHFFFAOYSA-N 241.269 2.729 30 40 BFEB C=CCCC(=O)N[C@H](C#N)C1CCCCC1 79013324 BMDZJVHSFICYRI-GFCCVEGCSA-N 220.316 2.541 30 40 BFEB C[C@@H]1CCc2sc(N)c(C#N)c2[C@@H]1C 82857244 DHTPZYJOIMPIQC-RNFRBKRXSA-N 206.314 2.888 30 40 BFEB in-vitro N#Cc1c(Cl)cccc1N1CCSCC1 140238 WXUQVNPKFQFHGW-UHFFFAOYSA-N 238.743 2.765 30 40 BFEB C=CCOC(=O)[C@H](O)c1ccc(C(C)C)cc1 1597446 BHWVAUSRJGKMEX-CYBMUJFWSA-N 234.295 2.573 30 40 BFEB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C#N)cc1 3429853 UQIUFTWAZPUOHI-FZMZJTMJSA-N 242.322 2.867 30 40 BFEB C=C(Cl)COc1ccc(Cl)cc1C(N)=O 16115316 PWEPVGNRKFHSNM-UHFFFAOYSA-N 246.093 2.570 30 40 BFEB CCC[C@H](C)C(=O)[C@@H](C#N)c1nc(C)cc(C)n1 76089989 DJJZEVCTYWJREK-JOYOIKCWSA-N 245.326 2.706 30 40 BFEB N#CCC(=O)c1cccn1-c1ccccc1F 85396822 ILMHVDOOYNNEDR-UHFFFAOYSA-N 228.226 2.713 30 40 BFEB CCOC(=O)/C(Cl)=N/Nc1ccccc1C 100207337 JHOCJALLQHWBON-UVTDQMKNSA-N 240.690 2.522 30 40 BFEB C#C[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 606301678 VWORSLRRUJYZOT-SNVBAGLBSA-N 223.316 2.513 30 40 BFEB CCCCCCCCS[C@H](C)C(N)=O 1847374 VEFIMOIFFKQCTC-SNVBAGLBSA-N 217.378 2.954 30 40 BFEB FC(F)(F)C(F)(C[C@@H]1CO1)C(F)(F)F 2530932 ZCSHSWXXDMBWOP-GSVOUGTGSA-N 226.091 2.608 30 40 BFEB CCn1cc(/C=C/C(=O)c2ccccc2)cn1 6490274 SCUVBJNDGRUJRV-CMDGGOBGSA-N 226.279 2.799 30 40 BFEB Cc1c(CNC2CCC(C)CC2)cc(C#N)n1C 58157669 AIKZXANPYXNMAC-UHFFFAOYSA-N 245.370 2.874 30 40 BFEB CN(CC#N)CCCc1ccc(Cl)cc1 77274744 DMWOJSZPNVJOAW-UHFFFAOYSA-N 222.719 2.728 30 40 BFEB COc1ccc(Cl)cc1C#C[C@@H](O)C(C)C 95631554 SKBZWVCAZSXQLZ-GFCCVEGCSA-N 238.714 2.717 30 40 BFEB Cc1ccc(OC(F)(F)F)cc1C#N 91252340 VZVKYRYUNZHYII-UHFFFAOYSA-N 201.147 2.765 30 40 BFEB C=CCc1cc(Br)cc(C=O)c1O 115964203 SGUCPSZAPVVCOL-UHFFFAOYSA-N 241.084 2.696 30 40 BFEB C=C1C[C@@H]2CC[C@H](C1)N2c1ncnc(C)c1C 882634288 SKNJHVBRSIDNHP-BETUJISGSA-N 229.327 2.781 30 40 BFEB CC(=O)Nc1ccc(/N=C/c2cccnc2)cc1 301516 CYMCCVUVJVOYDP-MHWRWJLKSA-N 239.278 2.791 30 40 BFEB CCC/C=C(/C)[C@@](C)(C#N)C(=O)OCC 1716491 AWYSUBWNOACNNC-VPUINMBXSA-N 209.289 2.826 30 40 BFEB Cc1cc(C)nc(N/N=C/c2ccsc2)n1 6672211 MIBCUYUFCSSYSS-WUXMJOGZSA-N 232.312 2.601 30 40 BFEB C#Cc1cccc(NC(=O)[C@@H]2CC=CCC2)c1 12894353 UUMTZQXMONGTQX-CYBMUJFWSA-N 225.291 2.963 30 40 BFEB CN(Cc1ccc(C#N)cc1)C[C@H]1CCCCO1 42240480 QLCJMLLLTXBHEV-OAHLLOKOSA-N 244.338 2.559 30 40 BFEB N#Cc1ccccc1C[C@@H]1CCCC(=O)C1 43210766 YTGHNPUEYKJZMS-NSHDSACASA-N 213.280 2.860 30 40 BFEB N#CCN(C(=O)[C@@H]1CC12CCCC2)C1CCCC1 75091891 PYDDROFYZIAFKE-ZDUSSCGKSA-N 246.354 2.861 30 40 BFEB N#CC1(c2ccccc2F)CCC(=O)CC1 77324643 SLIRWSUQYAHPHU-UHFFFAOYSA-N 217.243 2.730 30 40 BFEB C=C1CCCN(C(=O)CC2CCCC2)C1 575606095 AVKIXVJZKXGUSD-UHFFFAOYSA-N 207.317 2.745 30 40 BFEB O[C@H](C/N=C/c1ccccc1)c1ccccc1 298100 UMUCAPZOOJAILZ-YLQKULKDSA-N 225.291 2.839 30 40 BFEB C(=N/N1CCCCC1)\c1c[nH]c2ccccc12 1459873 XTTSCQWOTGMLIT-LFIBNONCSA-N 227.311 2.988 30 40 BFEB O=[N+]([O-])c1ccccc1/C=N\N1CCCCCC1 4897040 LNGHPPYFTTXOJP-KAMYIIQDSA-N 247.298 2.805 30 40 BFEB N#Cc1c(NC(=O)O)sc2ccccc12 6667730 NHSPTBRXFFFFCH-UHFFFAOYSA-N 218.237 2.863 30 40 BFEB N#Cc1c(Cl)nsc1NCc1ccco1 71893845 QPPMBIBZVRLHKV-UHFFFAOYSA-N 239.687 2.873 30 40 BFEB CC(C)(C)CN(CCC#N)Cc1cccnc1 71916290 NBBYDNAZPFZDNE-UHFFFAOYSA-N 231.343 2.843 30 40 BFEB COc1cc(F)cc(C(=O)C=C(C)C)c1 307254564 XZGZPSBTFFYQAZ-UHFFFAOYSA-N 208.232 2.983 30 40 BFEB CSCCC(=O)c1cccc(F)c1C#N 308781188 CSUZGCQHPMLGMK-UHFFFAOYSA-N 223.272 2.633 30 40 BFEB CC[C@H]1CCCCN1[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2 16636840 FVJURVRWXRJNLR-QCMVDPEJSA-N 236.359 2.880 30 40 BFEB N#CCCNc1cccc(Br)c1 20391225 QIUYZXDLEQXUJH-UHFFFAOYSA-N 225.089 2.775 30 40 BFEB Cc1ccc(C(=O)N(C)C2(C#N)CCC2)cc1 49314256 PNBFIGDQAWMYBO-UHFFFAOYSA-N 228.295 2.513 30 40 BFEB Cc1cnc(NCc2cc(C#N)cs2)s1 97114409 ULAHTPCGLOELSE-UHFFFAOYSA-N 235.337 2.997 30 40 BFEB C=CCCC(=O)c1cc(OC)cc(OC)c1 168409299 NCXXAMRRCSOHGZ-UHFFFAOYSA-N 220.268 2.853 30 40 BFEB COc1cc2ccc(CC#N)cc2cc1OC 1618664 BEFXAEJYFVNMQB-UHFFFAOYSA-N 227.263 2.923 30 40 BFEB N#Cc1ccc(C(=O)C(=O)c2ccccc2)cc1 1811679 DKNOAYCOBHPKJY-UHFFFAOYSA-N 235.242 2.624 30 40 BFEB CC[C@@H](C)C(=O)Nc1ccc(C#N)cc1 4690687 BBVMMBCJNTZYSA-SECBINFHSA-N 202.257 2.543 30 40 BFEB C=CCn1c(-c2occc2C)n[nH]c1=S 6812667 NFESXFHIQVVPJP-UHFFFAOYSA-N 221.285 2.695 30 40 BFEB C[C@@H]1S/C(=N/c2ccc(Cl)cc2)NC1=O 12417400 CHRMAMFQPOOTCM-LURJTMIESA-N 240.715 2.579 30 40 BFEB Cc1cc(O)cc(O)c1/C=N/Cc1ccco1 13118990 OCRWEJGSBFHLKJ-RIYZIHGNSA-N 231.251 2.618 30 40 BFEB O=C1C=C(Nc2ccc3c(c2)OCCO3)CCC1 18200755 OZGWJMLWIKXYQX-UHFFFAOYSA-N 245.278 2.507 30 40 BFEB CC(=O)/C=C/[C@H]1C(C)(C)CC[C@@H]2O[C@@]21C 25721269 ODMUHAHUBCUABS-GCFOFOGTSA-N 208.301 2.725 30 40 BFEB CCCCCCNc1nnc(C)c(C)c1C#N 29359949 OKCMPMIAGULFHN-UHFFFAOYSA-N 232.331 2.957 30 40 BFEB O=C1/C(=C/c2ccncc2)Oc2ccccc21 33888731 OJSDOWIZBNQIGZ-LCYFTJDESA-N 223.231 2.698 30 40 BFEB C/C(=N\Nc1cc(C)nc(C)n1)C(C)C 43988260 PDYBZOPNKPEBLT-NTEUORMPSA-N 206.293 2.537 30 40 BFEB C=CCOc1cc(C)ccc1NC(C)=O 68602724 UZCLCRSZHHWYQB-UHFFFAOYSA-N 205.257 2.518 30 40 BFEB CC1(C)CC(=O)C2=C(C1)O[C@]1(O)CCC[C@@H]2C1 100361397 TYKCPDBFHSJHCV-YMTOWFKASA-N 236.311 2.539 30 40 BFEB C[C@H]1C[C@@H](C=O)c2ccccc2N1C(=O)C1CC1 217549258 AHDPIFMVEJIYBV-JQWIXIFHSA-N 243.306 2.504 30 40 BFEB N#Cc1ccccc1SCCOCC(F)F 225442579 UKCFNPOUSOIXEG-UHFFFAOYSA-N 243.278 2.932 30 40 BFEB O=[N+]([O-])c1ccccc1N/N=C1/C[C@@H]2CC=C[C@H]12 13136595 MQGJLLGDRSSQQU-BFQJWLLSSA-N 243.266 2.959 30 40 BFEB COC(=O)[C@@H]1OC12CCC(C(C)(C)C)CC2 34542601 CFHGGDSSVATQIH-QUNCOHTASA-N 226.316 2.533 30 40 BFEB CC(C)c1ccn(Cc2ccc(C#N)cc2)n1 95427522 LKISOKAHWKJYMV-UHFFFAOYSA-N 225.295 2.926 30 40 BFEB N#Cc1cccc([C@H](N)CC(F)(F)F)c1 95777721 BWKQXKNXWLUPID-SECBINFHSA-N 214.190 2.510 30 40 BFEB N#Cc1c(Br)ccc(Cl)c1N 131854721 MGXPVJZBCIRZDU-UHFFFAOYSA-N 231.480 2.556 30 40 BFEB CCCCOc1c(C#N)cc(F)cc1[N+](=O)[O-] 225286467 MWFCBPZVHFAMDB-UHFFFAOYSA-N 238.218 2.784 30 40 BFEB C=CCN1CCc2cc(OC)c(OC)cc2[C@@H]1C 344093 IPBZWOHTYPFMTH-NSHDSACASA-N 247.338 2.809 30 40 BFEB biogenic N#Cc1cccc(/C=C/C(=O)Nc2ccncc2)c1 32726747 MIYINNYQCXLQFC-SNAWJCMRSA-N 249.273 2.605 30 40 BFEB CN(Cc1ccco1)Cc1ccccc1C#N 35122332 DYGVKXTUAPRUTL-UHFFFAOYSA-N 226.279 2.783 30 40 BFEB C=CCN(CC)Cc1ccc(C#N)cc1F 47724965 SXJNVYSGEMMRHF-UHFFFAOYSA-N 218.275 2.705 30 40 BFEB N#Cc1cc(Cl)nc(-c2ccccc2)n1 52507931 RUWOWLLJBPBBLR-UHFFFAOYSA-N 215.643 2.669 30 40 BFEB COc1c(C#N)cc(C(C)(C)C)cc1[N+](=O)[O-] 57339543 HIDSKXUDTPYDPE-UHFFFAOYSA-N 234.255 2.773 30 40 BFEB CCC(CC)CS(=O)(=O)/N=C(\O)CC(C)C 79037121 DRVOWFXCQPZCID-UHFFFAOYSA-N 249.376 2.755 30 40 BFEB FC(F)(F)[C@H](OC[C@H]1CO1)c1ccccc1 95095892 QJSCXIANKHKEAD-NXEZZACHSA-N 232.201 2.705 30 40 BFEB CC(C)n1nc(C2CCCC2)c(C#N)c1N 225831191 PCZQJTQJUPABJR-UHFFFAOYSA-N 218.304 2.575 30 40 BFEB C=C(C)C(=O)c1cc(F)cc(F)c1OC 308808041 PGTZWYYROSJGFP-UHFFFAOYSA-N 212.195 2.732 30 40 BFEB CCCCCCC[n+]1ccccc1C#N 1561316 DAEUFIJZMUHIDW-UHFFFAOYSA-N 203.309 2.816 30 40 BFEB CCO/C(=C/[S+](C)C)c1ccccc1 4964116 SUFTUWCRTPHVIY-ZRDIBKRKSA-N 209.334 2.899 30 40 BFEB C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C\CC[C@]1(C)O[C@@H]21 5125149 KTEXNACQROZXEV-ASQAGLHZSA-N 248.322 2.762 30 40 BFEB Cc1cc(C(F)F)nc2sc(C#N)c(N)c12 12395753 OVBINNUMUBUJIC-UHFFFAOYSA-N 239.250 2.996 30 40 BFEB O=C(/C=C\c1ccccn1)c1ccccc1O 17311936 RKZYMHSZANCMPI-HJWRWDBZSA-N 225.247 2.683 30 40 BFEB C#CCNC(=O)c1ccc(-c2ccccc2)cc1 18837899 NLJNBZWFXAXEAQ-UHFFFAOYSA-N 235.286 2.717 30 40 BFEB CCOc1cc(C#N)ccc1OC(=O)C=C(C)C 22897324 YTNDNIPLQFBXKW-UHFFFAOYSA-N 245.278 2.829 30 40 BFEB N#Cc1c(-c2ccccc2Cl)cc[nH]c1=O 41256708 JSYONPYPENKRRM-UHFFFAOYSA-N 230.654 2.567 30 40 BFEB N#CCCN1CCCC[C@H]1c1cccnc1 49604888 YGTWBSGWPZULFP-ZDUSSCGKSA-N 215.300 2.522 30 40 BFEB biogenic Cn1ncc2c1CC/C(=C\c1ccsc1)C2=O 58191445 RLPXALCBOPDXMB-UXBLZVDNSA-N 244.319 2.694 30 40 BFEB CCOc1c(Cl)ccc(CC#N)c1F 91252278 NITFUMSTZSPTHO-UHFFFAOYSA-N 213.639 2.944 30 40 BFEB FC(F)(F)[C@H](OC[C@@H]1CO1)c1ccccc1 95095890 QJSCXIANKHKEAD-VHSXEESVSA-N 232.201 2.705 30 40 BFEB CCOC(=O)/C(C)=C\c1cccc(C#N)c1 12359770 QJDAMUGGTNWDHJ-YFHOEESVSA-N 215.252 2.525 30 40 BFEB O[C@H](C#Cc1cccs1)c1ccccc1 19796788 JSJWJGGDTYNCCE-CYBMUJFWSA-N 214.289 2.833 30 40 BFEB O=CCCc1ccccc1C(F)(F)F 70739023 ANZQTKJIALSFQK-UHFFFAOYSA-N 202.175 2.837 30 40 BFEB in-vitro CCCn1c(C(C)=O)cc(C#N)c1CC 78404475 JYGZGEXPDMVBSY-UHFFFAOYSA-N 204.273 2.535 30 40 BFEB C[C@H](NCC#N)c1c(F)cccc1Cl 95985940 JMBHTJHYCAFNBF-ZETCQYMHSA-N 212.655 2.653 30 40 BFEB N#CCN1CCC(=Cc2ccccc2)CC1 98018760 QPLOZCSCWHLCGD-UHFFFAOYSA-N 212.296 2.689 30 40 BFEB Cc1ccc(Oc2ccc(C#N)nn2)cc1F 225713827 GZBYTAMPBZHMGV-UHFFFAOYSA-N 229.214 2.588 30 40 BFEB C[C@H]1CCCCN1/C(S)=N\Cc1ccco1 13684168 XHXZCQVQDRSDJM-JTQLQIEISA-N 238.356 2.940 30 40 BFEB CCOC(=O)C[C@H](C#N)c1ccccc1Cl 41279372 JOGOPVIZFBMMSY-SECBINFHSA-N 237.686 2.900 30 40 BFEB CC(C)CCC(=O)N(C)Cc1cccc(C#N)c1 44909020 OFXNOSSEWFPFNY-UHFFFAOYSA-N 244.338 2.953 30 40 BFEB Cc1ccc(/C=C/C(=O)N(CCC#N)C(C)C)o1 69491443 SCYMOUACFQDMGP-BQYQJAHWSA-N 246.310 2.752 30 40 BFEB C=CCCCOc1cccc(-n2cncn2)c1 72920941 FIZRZQXSUZJZSB-UHFFFAOYSA-N 229.283 2.612 30 40 BFEB CC#CCCCCN[C@@H]1CSC1(C)C 308677778 WOYLZNSDJJECFV-LLVKDONJSA-N 211.374 2.664 30 40 BFEB C=C1CC[C@@H]2[C@H](CC2(C)C)C(=O)CC[C@H]1O 1410177 BSFUDCIRZBAPDS-QJPTWQEYSA-N 222.328 2.709 30 40 BFEB endogenous,in-man CC[C@H]1CN(Cc2ccccc2)C[C@H]1C#N 2547039 BIYUBPAZRFIARZ-UONOGXRCSA-N 214.312 2.668 30 40 BFEB C/C(=N\Nc1ccccc1[N+](=O)[O-])C1CC1 4656804 RVMJZDOKOJNHOB-XYOKQWHBSA-N 219.244 2.793 30 40 BFEB C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C\CC[C@@]1(C)O[C@@H]21 5125148 KTEXNACQROZXEV-QLIGOWBFSA-N 248.322 2.762 30 40 BFEB biogenic,in-vitro N#CCCOc1ccc(Br)cc1F 34937000 GSLDGQGPBPTOQN-UHFFFAOYSA-N 244.063 2.881 30 40 BFEB Cc1ccc(C(=O)Nc2sccc2C#N)o1 36394407 KGOUHLDNSULRGI-UHFFFAOYSA-N 232.264 2.774 30 40 BFEB C[C@@H]1CCCN(c2ccc(C#N)nc2)CC1 75105348 IMCYVCHPCWTWSW-LLVKDONJSA-N 215.300 2.580 30 40 BFEB CCCCn1c(C#N)cc(N)c1CC(C)C 225851881 XGYYMVYURSYMAO-UHFFFAOYSA-N 219.332 2.941 30 40 BFEB C=CCN(CC=C)C(=O)c1ccc(C)s1 1054015 TUFJEQLYVJMXKC-UHFFFAOYSA-N 221.325 2.871 30 40 BFEB CN(Cc1ccccc1)[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2 16188627 YNZIHLDKDXMMJM-ULNGMOCLSA-N 244.338 2.747 30 40 BFEB N#Cc1ccc(NCc2ccc(F)cc2)nc1 19425800 ZENJZJZMTHBHIH-UHFFFAOYSA-N 227.242 2.704 30 40 BFEB N#C[C@H]1CCCC[C@@H]1OC(=O)C1CCCC1 78612064 MKWRPFNJQYLXSL-NEPJUHHUSA-N 221.300 2.802 30 40 BFEB C#C[C@@H](O)c1ccc(Cl)c(Cl)c1 83052855 UCHRPTFVDWKFDF-SECBINFHSA-N 201.052 2.660 30 40 BFEB CCC(=O)OCC#Cc1ccc(C)c(Cl)c1 95631638 IVDWFVCAYSYTQS-UHFFFAOYSA-N 236.698 2.953 30 40 BFEB CC(C)(C)c1ccc(C(=O)/C=C(\O)C(=O)O)cc1 100487274 JWNHJPHNMCJUID-WQLSENKSSA-N 248.278 2.693 30 40 BFEB CCCCCCCCO[C@@H]1C=CS(=O)(=O)C1 100848246 BWHTUHWTDRPLAO-GFCCVEGCSA-N 246.372 2.674 30 40 BFEB CCCCCCCCC(=O)N1CCOC[C@@H]1C 102996194 GXPIJPHFWMSIKE-ZDUSSCGKSA-N 241.375 2.984 30 40 BFEB CCCCCCCCC(=O)N1CCOC[C@H]1C 102996198 GXPIJPHFWMSIKE-CYBMUJFWSA-N 241.375 2.984 30 40 BFEB C/C(=N\Oc1nc(C)cc(C)n1)c1ccccc1 1287878 QWEBDNWAXUSOAF-SFQUDFHCSA-N 241.294 2.896 30 40 BFEB Cc1cc2c(cc1C#N)ncn2[C@@H]1CCCCO1 95630768 CCQPCCTXUSPAEZ-AWEZNQCLSA-N 241.294 2.916 30 40 BFEB CCCCCCCCC(=O)N1CCNC[C@H]1C 100414955 AFSSFKRRQZTJFZ-CYBMUJFWSA-N 240.391 2.557 30 40 BFEB CCCCCCCCC[C@@H](N)C(=O)O 2035157 HASUJDLTAYUWCO-SNVBAGLBSA-N 201.310 2.539 30 40 BFEB CC(C)(C#N)C(=O)N1CC[C@H](c2ccccc2)C1 50273093 AAQFFKLBQIAKEG-ZDUSSCGKSA-N 242.322 2.552 30 40 BFEB N#C[C@@H]1CCCC[C@@H]1OC(=O)c1ccoc1 71883865 OHSLNKRPXXEFTF-ONGXEEELSA-N 219.240 2.519 30 40 BFEB Cc1cc(NC(=O)/C=N/O)ccc1C(C)C 100080512 BEUFMKSVWSASOC-NTUHNPAUSA-N 220.272 2.517 30 40 BFEB CCn1ccc(/C=C2\Cc3ccccc3C2=O)n1 166641013 NZGMJNFLXOCPDK-ZRDIBKRKSA-N 238.290 2.725 30 40 BFEB C=C1CCC(NC(=O)C2CCCC2)CC1 618256528 JMLDPLQMUGOPHE-UHFFFAOYSA-N 207.317 2.792 30 40 BFEB C[C@@H]1CC/C(=N\N(C)C)c2ccccc21 5124573 LOCXZNJWIVUBBA-WBNXYMAISA-N 202.301 2.850 30 40 BFEB N#Cc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 34071259 DQEOUPUFGJBXFK-UHFFFAOYSA-N 217.011 2.773 30 40 BFEB c1cc2c3c(cccc3c1)/C(=N\OC[C@@H]1CO1)C2 100667648 APUGRUXGWQEPQQ-XQTVBXIXSA-N 239.274 2.515 30 40 BFEB O/N=C1\CCC[C@H]2CN(Cc3ccccc3)C[C@H]12 102071863 YGUBLIFXKQYDAG-RNJZADNYSA-N 244.338 2.749 30 40 BFEB in-vitro O=C(C(Cl)=NO)c1ccc(Cl)cc1 263600985 KPMRXNMLJSQAQE-UHFFFAOYSA-N 218.039 2.549 30 40 BFEB CC(=O)c1cccc(/N=C2\NC[C@@H](C)S2)c1 500718 ZUYWXYROQFVDKA-MRVPVSSYSA-N 234.324 2.602 30 40 BFEB C=C1OC(=O)O[C@]1(C)CCc1ccco1 1235114 ILMWWGHWJGRLHO-LLVKDONJSA-N 208.213 2.651 30 40 BFEB N#Cc1cc([N+](=O)[O-])cnc1Nc1ccccc1 4114022 HSMOFFGAHHOBDC-UHFFFAOYSA-N 240.222 2.605 30 40 BFEB Cc1ccc(C)c(/N=C2/NC(=O)[C@@H](C)S2)c1 5375612 NITXIIQQGSQGNP-SECBINFHSA-N 234.324 2.542 30 40 BFEB C=CCn1c2c(sc1=S)[C@@H](S)NC=N2 5729324 IVARXRNWUSMIOK-SSDOTTSWSA-N 243.382 2.656 30 40 BFEB C#CCNC(=O)Nc1cccc2ccccc12 11004621 TUZSSMNMLTYFMM-UHFFFAOYSA-N 224.263 2.595 30 40 BFEB N#Cc1ccccc1OCCOCC(F)(F)F 34674892 ZWKGABLCIZSSEQ-UHFFFAOYSA-N 245.200 2.516 30 40 BFEB COc1ccc([C@H](C#N)C(=O)C(C)C)cc1 36931023 TYKZSVYGCPNFKV-LBPRGKRZSA-N 217.268 2.527 30 40 BFEB CC(C)(C)OC(=O)c1ccc(F)c(C#N)c1 38284097 GDJNBXWXPKBGEV-UHFFFAOYSA-N 221.231 2.653 30 40 BFEB Cc1ccc(Br)c(C(=O)CC#N)c1 88027892 ZRZYHJYRSSVZIA-UHFFFAOYSA-N 238.084 2.854 30 40 BFEB COc1ccc([C@H]2CC(=O)C=C(O)C2)cc1 100472491 VMWQNDYIARTQTB-SNVBAGLBSA-N 218.252 2.584 30 40 BFEB CCCCCCCCO[S@](C)(=O)=S 167961220 NPAFUPIVZDJQSN-ZDUSSCGKSA-N 224.391 2.655 30 40 BFEB CCN(CC)c1c(N)cc(C#N)n1C1CCCC1 225863996 YQCYRGCZLRJMAS-UHFFFAOYSA-N 246.358 2.903 30 40 BFEB N#Cc1ccnc(SCc2ccncc2)c1 77905477 JICHZHUWHPGQHF-UHFFFAOYSA-N 227.292 2.641 30 40 BFEB N#Cc1nc(NCc2ccncc2)ccc1Cl 95416421 XRTYHAZLKCITSX-UHFFFAOYSA-N 244.685 2.614 30 40 BFEB C=CCn1c(CCCC)ccc1C(=O)OC 226026946 ZGXMBAMVKNOFJL-UHFFFAOYSA-N 221.300 2.803 30 40 BFEB ON=C(Cl)c1c(F)cccc1Cl 307961844 XQUJVGVNTYDLIG-UHFFFAOYSA-N 208.019 2.854 30 40 BFEB CCOc1c(Cl)cc(/C=N/O)cc1OC 2656380 DXECFQXJPSKTDU-WUXMJOGZSA-N 229.663 2.555 30 40 BFEB in-vitro N#CCCn1c(=S)[nH]c2ccccc21 15923380 ZTDPCQYRGYIUJZ-UHFFFAOYSA-N 203.270 2.613 30 40 BFEB in-vitro C#Cc1cccc(NC(=O)/C=C/c2ccccn2)c1 47520588 QVWWKYRNGLPOCU-MDZDMXLPSA-N 248.285 2.715 30 40 BFEB COCCc1ccc(C#N)n1Cc1ccccc1 226030814 XWKWGFJJPSASRJ-UHFFFAOYSA-N 240.306 2.597 30 40 BFEB CCOC(=O)[C@@H](C#N)c1ccc(F)cc1Cl 2530188 ITRUPXBREIUZMZ-VIFPVBQESA-N 241.649 2.649 30 40 BFEB C#Cc1cccc(NC(=O)c2ccc(C)nc2)c1 12850515 XGAYVIQYHPFCAX-UHFFFAOYSA-N 236.274 2.624 30 40 BFEB N#Cc1cc(Br)nc2ccccc12 14982233 WBJXNFJBFBJGHO-UHFFFAOYSA-N 233.068 2.869 30 40 BFEB C[C@@]1(Cc2ccccc2)CCC[C@@H](C=O)C1=O 31938439 FBALOPTZGWJSJE-ZFWWWQNUSA-N 230.307 2.804 30 40 BFEB N#Cc1ccc(OC(F)F)c(Cl)c1 42410893 OWWZSYZATKTMTR-UHFFFAOYSA-N 203.575 2.813 30 40 BFEB CC[C@H]1CN(CCCCC#N)CCS1 76072999 HNVLDJOAMSKXQH-NSHDSACASA-N 212.362 2.508 30 40 BFEB C[C@H]1CCc2sc(N)c(C#N)c2[C@H]1C 82857247 DHTPZYJOIMPIQC-BQBZGAKWSA-N 206.314 2.888 30 40 BFEB in-vitro OC1(C#Cc2ccc(F)cc2)CCCCC1 95632468 QGFZFDUVZDVREC-UHFFFAOYSA-N 218.271 2.872 30 40 BFEB N#CC1(NC(=O)OCc2ccccc2)CCCC1 96295501 URVMGRLCPLNRKT-UHFFFAOYSA-N 244.294 2.749 30 40 BFEB C[C@@H](Nc1cc(C#N)ccn1)c1cccc(O)c1 330032803 RWOAPIQAOYGFCM-SNVBAGLBSA-N 239.278 2.832 30 40 BFEB O=[N+]([O-])c1cccc(CO/N=C/c2ccoc2)c1 408592546 MLIPJZOMLAEBGT-NTUHNPAUSA-N 246.222 2.739 30 40 BFEB C=CCN(CC=C)C(=O)[C@H]1C[C@H]1c1ccccc1 2749173 YJHWTZHJXZBDAX-GJZGRUSLSA-N 241.334 2.991 30 40 BFEB C/C=C\C(=O)Sc1ccc([N+](=O)[O-])cc1 4900264 WYWNXUFYGRSAFX-IHWYPQMZSA-N 223.253 2.790 30 40 BFEB CCCN(CC#N)[C@@H]1CCc2ccccc2C1 65622700 XDHBRPZRSMCEDZ-OAHLLOKOSA-N 228.339 2.779 30 40 BFEB C[C@H](C#N)CNc1ccc([N+](=O)[O-])cc1Cl 72307613 FSAABDVPTQKHKN-SSDOTTSWSA-N 239.662 2.820 30 40 BFEB N#C[C@@H]1CCCC[C@H]1OC(=O)C1CCCC1 78612068 MKWRPFNJQYLXSL-NWDGAFQWSA-N 221.300 2.802 30 40 BFEB Cc1ccc(OC(F)(F)F)cc1CC#N 91252339 DSENNMKYJGBGSH-UHFFFAOYSA-N 215.174 2.960 30 40 BFEB CC[C@@H](NC(=O)CC#N)c1cccc(Cl)c1 95942142 PTPRIOQRNAELIV-LLVKDONJSA-N 236.702 2.821 30 40 BFEB C[C@H]1CCCC[C@]1(C#N)NC(=O)OC(C)(C)C 96102463 FAPCMGQEOQZPCR-GXFFZTMASA-N 238.331 2.984 30 40 BFEB Fc1ccc(/C=N/c2ccccn2)cc1 100042160 PVXHXNDPLBGVSE-OQLLNIDSSA-N 200.216 2.971 30 40 BFEB CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[C@@H]2C#N 953067720 WINXSOQPOOPJRB-AXFHLTTASA-N 236.315 2.546 30 40 BFEB N#Cc1cnc(Sc2ccc(F)cc2)nc1 1396410 VWYXQNGXQMEAEM-UHFFFAOYSA-N 231.255 2.639 30 40 BFEB CCCCCCCCC[C@](C)(N)C(=O)O 1652265 AVOOJFIWCZFMNT-LBPRGKRZSA-N 215.337 2.929 30 40 BFEB CC(C)(C)OC(=O)[C@H]1O[C@@]1(C)c1ccccc1 1708633 CTGZYSALYIKEQC-RISCZKNCSA-N 234.295 2.642 30 40 BFEB C/C(=N/Nc1nc(C)cc(C)n1)c1ccc(C)o1 13155071 VFXLQGLEVRJXOZ-WJDWOHSUSA-N 244.298 2.831 30 40 BFEB CSc1ccc(-c2ccc(C#N)c(=O)[nH]2)cc1 31812792 FSIATCBNCRHVPB-UHFFFAOYSA-N 242.303 2.635 30 40 BFEB Cc1n[nH]c(C)c1/N=C/c1ccc([N+](=O)[O-])cc1 59490112 YZMRNRVROIMPHU-NTUHNPAUSA-N 244.254 2.685 30 40 BFEB CCn1c2ccccc2n2c(N=[N+]=[N-])nnc12 85389341 IAOJTFMSKHYIOJ-UHFFFAOYSA-N 227.231 2.646 30 40 BFEB C=CC[C@@H](O)c1ccc(OC)c(C)c1C 95727298 BENUBUDGUSNVPW-GFCCVEGCSA-N 206.285 2.922 30 40 BFEB COc1ccc2nc(Cl)c(/C=N/O)cc2c1 100032912 OEUJWQZDVAFKIL-AWNIVKPZSA-N 236.658 2.705 30 40 BFEB CC(C)(C)SCCOc1cccnc1C#N 252493417 NBRDJMNDGCPOOX-UHFFFAOYSA-N 236.340 2.864 30 40 BFEB Cn1cccc1/C=N\c1ccc([N+](=O)[O-])cc1 409101492 XXIZNQXQEOXKTL-LCYFTJDESA-N 229.239 2.684 30 40 BFEB CC(C)c1ccc([C@@H]2CNC[C@@H]2C#N)cc1 409422455 GCGWYBFXZBZMLB-KBPBESRZSA-N 214.312 2.637 30 40 BFEB COC(=O)/C=C(C)/C(C)=N\c1ccccc1 8642359 TVNHBYXCEJTLBT-POLRJCGMSA-N 217.268 2.898 30 40 BFEB O/N=C1\CCCCCC[C@H]1n1ccnc1 16546015 UGVDLFWLDHTMRZ-BVRAVYJCSA-N 207.277 2.609 30 40 BFEB Cc1nc(C#N)c(NCc2ccc(F)cc2)o1 26779493 NZEJGVQZVBSSCY-UHFFFAOYSA-N 231.230 2.606 30 40 BFEB C[C@H]1CCN(c2ccc(C#N)nc2)[C@H](C)C1 81003960 JHZRTMARNAEOGP-WDEREUQCSA-N 215.300 2.578 30 40 BFEB CCCCn1c(SCC#N)nc(C)c1C 95947307 JZQGDDSJNYTQBV-UHFFFAOYSA-N 223.345 2.916 30 40 BFEB COc1cccc(F)c1[C@@H](C)NCCCC#N 95985433 SVSNACLLQJYEIG-SNVBAGLBSA-N 236.290 2.789 30 40 BFEB CCCCCn1nc(C(F)(F)F)c(C#N)c1N 225836009 RLOAFDIJYYJTAQ-UHFFFAOYSA-N 246.236 2.546 30 40 BFEB CCCCOc1c(N)cc(C#N)n1C(C)C 225874104 ODJBEWDJEKGZJX-UHFFFAOYSA-N 221.304 2.702 30 40 BFEB CC[C@](C#N)(C(=O)OC)/C(C)=C/C(C)C 1600429 XLCORFACLFITSK-OFFHKIPUSA-N 209.289 2.682 30 40 BFEB CCCC[C@H]1CC(=O)C=C(C)[C@@H]1C(=O)OCC 4024045 BZLBWMNDZNYHDT-AAEUAGOBSA-N 238.327 2.891 30 40 BFEB biogenic Cc1ccc[n+](/C=C/C(=O)c2ccc(F)cc2)c1 5547863 MZGXKFYWSSZECV-CSKARUKUSA-N 242.273 2.775 30 40 BFEB C=CCc1cc(C=O)cc(OCC)c1OCC#N 8253702 WLORBWBPQPUTNX-UHFFFAOYSA-N 245.278 2.529 30 40 BFEB N#Cc1c(-c2ccco2)cc(C2CC2)nc1N 19708503 RBOQIRGAUHNOOI-UHFFFAOYSA-N 225.251 2.673 30 40 BFEB C=CCNC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 20105654 NNNDJTXHWINGSG-ZDUSSCGKSA-N 247.338 2.681 30 40 BFEB C=CCNC(=O)Nc1ccc(OC(C)C)cc1 48458888 PNSQHGCTZFRCMB-UHFFFAOYSA-N 234.299 2.781 30 40 BFEB C/C(Cc1ccc(Br)cc1)=N\O 100090901 UDYAQLHGHOJCEA-YRNVUSSQSA-N 228.089 2.842 30 40 BFEB C/C(=C/C(=O)c1sccc1C)N(C)C 100251671 CLGJKHSFXFPNOE-CLFYSBASSA-N 209.314 2.705 30 40 BFEB CC1(C)/C(=N/O)[C@@]2(Br)CC[C@H]1C2 103697433 PCCIVERFSVHDBB-NMBRCORJSA-N 232.121 2.790 30 40 BFEB Cc1nn(-c2cccc(Cl)c2C)c(N)c1C#N 604941583 LEFMFTSTPDECME-UHFFFAOYSA-N 246.701 2.596 30 40 BFEB COc1ccccc1OCC(=NO)C(C)C 2362797697 HXFYKJBNSMTQDS-UHFFFAOYSA-N 223.272 2.560 30 40 BFEB C/C=C/C(=O)N1C=Cc2ccccc2[C@H]1C#N 478194 ZXZDUZPHGPHXDR-ADQTWTKMSA-N 224.263 2.640 30 40 BFEB C=CC(=O)C[C@H](O)c1ccc(Cl)cc1 1719016 UEOIKIHSLGCKOL-NSHDSACASA-N 210.660 2.519 30 40 BFEB CC1=CC(=C2C=CC(=O)C=C2)C=C(C)N1C 4683414 LDSXDRWWZDIPOT-UHFFFAOYSA-N 213.280 2.731 30 40 BFEB CCc1nc(C)cn1[C@@H]1/C(=N/O)[C@H]2CC[C@@H]1C2 5615723 BTHRSGCFDKFCQP-AYNAJQPJSA-N 233.315 2.555 30 40 BFEB C=CCNc1cnnc2ccc(Cl)cc12 46087290 SVYDXKXNEKGGKD-UHFFFAOYSA-N 219.675 2.881 30 40 BFEB Cc1nc(Nc2ccccc2)ccc1/C=N/O 72224346 JHVQIUZWXPDCOZ-NTEUORMPSA-N 227.267 2.942 30 40 BFEB F[C@H]([C@@H](F)C(F)(F)F)C(F)(F)F 95681988 CFSHSCBNZAKMAT-JCYAYHJZSA-N 202.044 2.787 30 40 BFEB in-vitro C[C@@H]1CCc2c(sc(/N=C/N(C)C)c2C#N)C1 100843887 PPICRHSXYDQYOJ-KOLYXTFFSA-N 247.367 2.966 30 40 BFEB CC(C)C1=CC(=NO)C=C(C(C)C)C1=O 104105463 RSSFZUBNUPMEGI-UHFFFAOYSA-N 207.273 2.564 30 40 BFEB CCOc1c(C)cc(C(=O)CC#N)cc1C 113704446 MIFRNUXPSMESAQ-UHFFFAOYSA-N 217.268 2.799 30 40 BFEB Cc1ccc2c(/C(Cl)=N/O)c[nH]c2c1 228915447 IVNMHXORIHEJHO-RAXLEYEMSA-N 208.648 2.851 30 40 BFEB Cc1cccc(C(=O)CC#N)c1Br 235776547 SAOTUFZMRBOYHD-UHFFFAOYSA-N 238.084 2.854 30 40 BFEB CC1(C)CO/C(=N\c2cccc(Cl)c2)N1 208902 QWHURSPYWKSHSI-UHFFFAOYSA-N 224.691 2.726 30 40 BFEB CN(C)c1ccc(/C=N/N=C/c2ccco2)cc1 1709393 YGENLWYNHAZKMQ-RWPWKDLBSA-N 241.294 2.799 30 40 BFEB C=CCN/C(S)=N/N=C\C=C\c1ccccc1 5453723 OYSQRHBBGFUUOF-KXUQTAPDSA-N 245.351 2.747 30 40 BFEB Cc1cc(C)nc(N/N=C\c2sccc2C)n1 13133307 AMKVDSKPNNMCFA-QPEQYQDCSA-N 246.339 2.909 30 40 BFEB Cc1cccc(N/N=C2/COC(C)(C)CC2=O)c1 18179004 SJUABYXAEFHESU-VBKFSLOCSA-N 246.310 2.531 30 40 BFEB N#Cc1nccnc1NCCC1=CCCCC1 54377687 ADUSGBISFRQOKC-UHFFFAOYSA-N 228.299 2.651 30 40 BFEB N#CCc1ccc([N+](=O)[O-])cc1C(F)(F)F 63046482 MCUZIVAKGINWKS-UHFFFAOYSA-N 230.145 2.680 30 40 BFEB CC(=O)C1=C(O)C[C@@H](c2ccccc2)CC1=O 101406320 RFSXYTQGTXFTJI-LLVKDONJSA-N 230.263 2.534 30 40 BFEB C[Si](C)(C)c1cn[nH]c1/C=N/c1ccccc1 221832625 SWNFHTQIKLWWIF-NTEUORMPSA-N 243.386 2.706 30 40 BFEB COC(=O)c1ccc(C(=O)C=C(C)C)c(C)c1 575362508 RVAXCNZKQCCTMS-UHFFFAOYSA-N 232.279 2.931 30 40 BFEB CSC(=N/N=C(/C)c1ccccn1)SC 5503092 STAVLCXMWKVFNZ-WQLSENKSSA-N 239.369 2.888 30 40 BFEB N#CCSc1ccc(C(F)(F)F)cn1 19847618 CWTGSBKFTGHGOL-UHFFFAOYSA-N 218.203 2.716 30 40 BFEB CC(C)CNC(=O)c1ccccc1SCC#N 25706515 HOFIGVDGCJPYCZ-UHFFFAOYSA-N 248.351 2.688 30 40 BFEB CCC(C)(C)[C@H]1CCc2[nH]c(=O)c(C#N)cc2C1 43404453 FWVFHRCRZXSAJN-LBPRGKRZSA-N 244.338 2.788 30 40 BFEB in-vitro CCCOc1cccc(-c2cc(CC#N)n[nH]2)c1 72220391 GCKBQEMPVFWNKQ-UHFFFAOYSA-N 241.294 2.932 30 40 BFEB N#CCC1(COC(=O)c2ccc(F)cc2)CC1 78949142 BPKTVSZELXENMM-UHFFFAOYSA-N 233.242 2.676 30 40 BFEB N#Cc1nccn1CC1CCCCCC1 97376151 LFHMUVJMUUAUQS-UHFFFAOYSA-N 203.289 2.725 30 40 BFEB CC(C)=Nc1ccc(C)cc1[C@H]1COC(=O)C1=N 103077225 LLNJSONMPJQIJQ-LLVKDONJSA-N 244.294 2.767 30 40 BFEB ClC1(Cl)C[C@@H]2C[C@@H]1[C@H]1[C@@H]3C[C@H]([C@H]4O[C@H]34)[C@H]21 104077786 BWMSTIRGXBWAMA-DDEHUCQNSA-N 245.149 2.850 30 40 BFEB N#Cc1cn(-c2ccc(F)c(Cl)c2)cn1 217747418 BKOPHIYLDRPGLR-UHFFFAOYSA-N 221.622 2.536 30 40 BFEB C=CCn1nc(C2CCCCC2)c(C#N)c1N 225836857 VELWZSUKFNTWJO-UHFFFAOYSA-N 230.315 2.571 30 40 BFEB Cc1cc(OCC(=O)C(C)(C)C)ccc1C#N 277394961 CFSBRNWJBPAULK-UHFFFAOYSA-N 231.295 2.861 30 40 BFEB C[C@H](C#N)OC(=O)Nc1cccc(Cl)c1 2045539 PYDFEASVFQEKCV-SSDOTTSWSA-N 224.647 2.801 30 40 BFEB N#Cc1ccc(NC(=O)C2CCC2)cc1Cl 7804197 BOOILDYKRAHIIO-UHFFFAOYSA-N 234.686 2.950 30 40 BFEB C/N=C(\c1ccccc1)N(O)c1ccccc1 12433010 ORSZUZSZHSUGEK-CCEZHUSRSA-N 226.279 2.959 30 40 BFEB C=CCOc1nc2ccccc2cc1/C=N/O 36624768 NNMNQUHERYMNPC-NTEUORMPSA-N 228.251 2.608 30 40 BFEB C[C@H]1C/C(=C\C(=O)c2ccc(Cl)cc2)NC1=O 90375712 RSHOBTYVYZKXQV-LBTPYSACSA-N 249.697 2.563 30 40 BFEB Cc1nnc(SCC(F)(F)F)c(C#N)c1C 96500554 GLQTURCMCPIUAU-UHFFFAOYSA-N 247.245 2.620 30 40 BFEB Cn1ncc(C#C[Si](C)(C)C)c1C1CC1 203600079 IBPXZDHPMXQZGY-UHFFFAOYSA-N 218.376 2.526 30 40 BFEB CCCCCCCC[C@H]1CCC(=O)NC1=O 1612016 IKEYSXUFSXNJFC-NSHDSACASA-N 225.332 2.790 30 40 BFEB N#Cc1cccc(-c2ccc(C(=O)O)o2)c1 6863124 ZBBYBWMLIOUQRN-UHFFFAOYSA-N 213.192 2.516 30 40 BFEB Cc1sc(-n2cccc2C=O)c(C#N)c1C 9261707 CQYLEGAIKQPLIH-UHFFFAOYSA-N 230.292 2.840 30 40 BFEB Cc1ccnc(NC(=O)c2ccc(C#N)cc2)c1 12538137 AKCDPFRYEQUJGR-UHFFFAOYSA-N 237.262 2.514 30 40 BFEB CN(CCC#N)Cc1cccc(Cl)c1 19834159 YHFFCHUEGCBQNT-UHFFFAOYSA-N 208.692 2.685 30 40 BFEB C=CCNC(=O)N[C@@H](C)c1ccc(Cl)cc1 26518053 DLXOAUSRAGLCBG-VIFPVBQESA-N 238.718 2.886 30 40 BFEB Cc1cc(C(=O)CC#N)c(C)n1C1CC1 85396852 QFHVZSZZTCRHCB-UHFFFAOYSA-N 202.257 2.536 30 40 BFEB C=CCC[C@H](CC)NCc1cccnc1 96476303 XVLZNRXYIYDSJW-ZDUSSCGKSA-N 204.317 2.916 30 40 BFEB Cc1cnc(COc2cccc(F)c2C#N)o1 96484695 IFFZCPFRLFJMRJ-UHFFFAOYSA-N 232.214 2.573 30 40 BFEB N#Cc1nc(-c2cccs2)oc1NC1CC1 529020 GIOLJEWZGWAMHE-UHFFFAOYSA-N 231.280 2.849 30 40 BFEB C=CCNC(=O)COc1cccc2ccccc12 2679890 KLWTZEOVAWFJDM-UHFFFAOYSA-N 241.290 2.521 30 40 BFEB COc1cc2ccccc2cc1C(=O)OCC#N 3344148 QWRIDSSKMUCPJA-UHFFFAOYSA-N 241.246 2.529 30 40 BFEB CCCCCC[C@@H]1/C(=N/O)CC[C@H]1C(=O)OC 4550847 PGALRUISDKOHMZ-FLCMVLHFSA-N 241.331 2.986 30 40 BFEB N#Cc1ccc2ccn(Cc3cccnc3)c2c1 20479394 XJRWZOSSPYHJAG-UHFFFAOYSA-N 233.274 2.956 30 40 BFEB N#CC1(C(=O)N2Cc3ccccc3C2)CCCC1 50912509 MPZIFGNGXKEOIY-UHFFFAOYSA-N 240.306 2.613 30 40 BFEB OCCCC#Cc1ccc(F)c(Cl)c1 95632883 YVIGGHBQJHCZOJ-UHFFFAOYSA-N 212.651 2.603 30 40 BFEB N#CCCCCCOc1cccc(C=O)c1 95731834 YNSUXCUKHRLZIL-UHFFFAOYSA-N 217.268 2.962 30 40 BFEB CC(C)N(C(C)C)[C@@H]1/C(=N\O)[C@H]2CC[C@H]1C2 100965952 MRFLHLYWXUCRMH-UIEAIMIQSA-N 224.348 2.734 30 40 BFEB CC(C)c1ccc2c(c1)[C@@H](CC#N)C(=O)N2C 218747766 WDWVXFSQRMTQOJ-LLVKDONJSA-N 228.295 2.784 30 40 BFEB CC1(C)OB(CC(F)(F)F)OC1(C)C 1535538974 TVADKTGPYJJVQL-UHFFFAOYSA-N 210.004 2.641 30 40 BFEB CCOC(=O)[C@@]1(C)O[C@@H]1c1ccc(Cl)cc1 494584 NCAJAILXFIVPSI-PWSUYJOCSA-N 240.686 2.733 30 40 BFEB Cc1cccc(NC(=S)N(C)CCC#N)c1C 3328238 OYACUHKNWFQOJH-UHFFFAOYSA-N 247.367 2.846 30 40 BFEB O=C(/C=C/Nc1ccncc1)c1ccccc1 4663389 ZHGIRTODNMEIKB-DHZHZOJOSA-N 224.263 2.890 30 40 BFEB CCNC1=C(C(=O)c2ccccc2)CCC1 4772438 NGCZEARNNQYGTO-UHFFFAOYSA-N 215.296 2.917 30 40 BFEB N#Cc1c(C(F)(F)F)nc2ccccc2c1N 19625000 LTGGXSIEQZYFMC-UHFFFAOYSA-N 237.184 2.707 30 40 BFEB C#CCOC(=O)c1csc(-c2cccs2)n1 73192786 JZUCPVGDZWKSLA-UHFFFAOYSA-N 249.316 2.662 30 40 BFEB CC1(C)/C(=N/O)[C@]2(Br)CC[C@H]1C2 85385395 PCCIVERFSVHDBB-ZQBJRUARSA-N 232.121 2.790 30 40 BFEB C=CCCC(=O)c1ccc(N(C)C)cc1 106881398 CBGMQVRYRHNGEA-UHFFFAOYSA-N 203.285 2.902 30 40 BFEB C=CCSCc1nccc(OC)c1OC 191128716 GZNGOESDXPUKRV-UHFFFAOYSA-N 225.313 2.518 30 40 BFEB C[C@H](C1CC1)N(CCC#N)C[C@@H]1CCC=CO1 225579872 OIOUTVUEKAZJHD-OCCSQVGLSA-N 234.343 2.693 30 40 BFEB C=C(C)CNC(=O)[C@H]1CC(C)=C[C@H](C)[C@H]1C 4801798 PJHLTAMDZJWCNG-XQQFMLRXSA-N 221.344 2.917 30 40 BFEB C/C(=N\O)c1cc2cc(Cl)ccc2oc1=O 5601156 BJEKKYSRZFAYEN-AWNIVKPZSA-N 237.642 2.645 30 40 BFEB N#Cc1cccnc1SCc1ccccn1 30831839 CEHRBAYRNCEODZ-UHFFFAOYSA-N 227.292 2.641 30 40 BFEB N#C[C@@H](C(=O)C(F)(F)F)c1cccc(F)c1 34975684 FOUMVZVGGDRKNQ-MRVPVSSYSA-N 231.148 2.564 30 40 BFEB CC(=N\Nc1ccccc1)/C(Cl)=N/O 103612313 HCEWSPXKKBQMGQ-HFLJYHARSA-N 211.652 2.501 30 40 BFEB N#CC[C@](O)(c1ccc(Cl)cc1)C(F)F 1775953491 BVIFCBKMKILVFT-JTQLQIEISA-N 231.629 2.706 30 40 BFEB CNC1=C(C(=O)c2ccccc2)CCC1 4772439 CGXGVUOGKVHKBK-UHFFFAOYSA-N 201.269 2.527 30 40 BFEB N#Cc1ccc(C(=O)N2CCCCCC2)cc1 6401184 ZZYWPYYZQXGVEQ-UHFFFAOYSA-N 228.295 2.574 30 40 BFEB Cc1nc(N=[N+]=[N-])nc(NCc2ccccc2)n1 13609021 PSLQJXJUNBNJTB-UHFFFAOYSA-N 241.258 2.734 30 40 BFEB CC(C)/N=C(\NC(C)C)OCc1ccccc1 38284493 HTJDVAQGUYGUON-UHFFFAOYSA-N 234.343 2.966 30 40 BFEB O=C1/C(=C/c2ccc(Cl)cc2)N2CCC1CC2 39323246 KHICWBBWZMQJKM-LCYFTJDESA-N 247.725 2.976 30 40 BFEB CC1(C)O[C@]12[C@H]1CC[C@H]2[C@H]2[C@H]1C=C[C@]21OC1(C)C 104104531 POYSTDSITBWHIH-CVYVPXSGSA-N 246.350 2.924 30 40 BFEB CCN(CC)/C(C)=N/C(=O)Nc1ccccc1 4278922 MCXSTNNYTDQGHX-SDNWHVSQSA-N 233.315 2.979 30 40 BFEB CC1(C)C[C@@H](Nc2ccccc2)[C@@H](C#N)C1=O 5607550 JEQBRSULBAZRLJ-VXGBXAGGSA-N 228.295 2.606 30 40 BFEB CC[C@H](C)NC(=O)c1ccccc1SCC#N 50080576 LJKKNRNPVCYDDQ-JTQLQIEISA-N 248.351 2.831 30 40 BFEB C#CC[C@H](C)NCc1csc(C(C)(C)C)n1 78932761 NPIHUFJLBAWDLT-JTQLQIEISA-N 236.384 2.942 30 40 BFEB Cc1sc(Br)c(C#N)c1C 84308783 HHILCJDDEXBLQX-UHFFFAOYSA-N 216.103 2.999 30 40 BFEB C=C(C)CS[C@@H](C)C(=O)NC1CCCC1 89448755 ZCNROYGGZAMGET-JTQLQIEISA-N 227.373 2.743 30 40 BFEB C=CCOc1c(Cl)cc(OC)cc1C(=O)O 225279844 IMGNDCREOSXBTG-UHFFFAOYSA-N 242.658 2.612 30 40 BFEB COc1ccccc1SC(=NC#N)SC 256080855 AWPXRSLPGCFGKI-UHFFFAOYSA-N 238.337 2.987 30 40 BFEB CN(N=O)C1=CC(=O)[C@@]2(C)CC[C@@H]1C2(C)C 4266996 XIXAPCKYCBFXNO-QPUJVOFHSA-N 222.288 2.509 30 40 BFEB CN(C)c1ccc(/C=N/Cc2cccnc2)cc1 5737673 ZAGOCYYMRCNFHF-LICLKQGHSA-N 239.322 2.767 30 40 BFEB COC(=O)/C=C(C)\C(C)=N\c1ccccc1 16955236 TVNHBYXCEJTLBT-TVFNDYRWSA-N 217.268 2.898 30 40 BFEB COc1cccc(-n2c(C)cc(C#N)c2C)c1 20865135 UADCVXBLJZGWOP-UHFFFAOYSA-N 226.279 2.974 30 40 BFEB CCc1ccsc1C(=O)N(C)[C@H](C)CC#N 69809544 UVDCVIMYVJKXAU-SECBINFHSA-N 236.340 2.685 30 40 BFEB C=C(Cl)Cc1ccccc1OC(C)=O 85650702 ITMCVVDCKLOWOU-UHFFFAOYSA-N 210.660 2.907 30 40 BFEB O=CCc1ccc(F)cc1C(F)(F)F 89065422 TXBBDLDOUXSMGR-UHFFFAOYSA-N 206.138 2.586 30 40 BFEB Oc1ccc(/N=C/c2cccc(O)c2O)cc1 293924 XUMDUPGXBNPWSU-RIYZIHGNSA-N 229.235 2.554 30 40 BFEB O=C(O)c1ccc(/[N+]([O-])=C/c2ccccc2)cc1 3133960 QMKPMAYLXUHCTL-GDNBJRDFSA-N 241.246 2.646 30 40 BFEB C=CCNc1nc(Cl)nc2ccccc12 4740945 XRXUODORZHIOQQ-UHFFFAOYSA-N 219.675 2.881 30 40 BFEB C/C(=N/[N+](C)(C)C)c1ccc(C)c(C)c1 4974439 MAEVSQFHGKHDDI-OWBHPGMISA-N 205.325 2.734 30 40 BFEB in-vitro O/N=C1\CCCC[C@H]1NC1CCCCC1 5374570 JQAGCWCANHSWBR-UWYSJPFYSA-N 210.321 2.682 30 40 BFEB COc1ccc(COc2ccc(C#N)cn2)cc1 19965647 GCLXYAPFCZSSPF-UHFFFAOYSA-N 240.262 2.541 30 40 BFEB Cc1ccsc1CN(C)CCCC#N 48368172 RSVLSZQVTOVWLZ-UHFFFAOYSA-N 208.330 2.792 30 40 BFEB O=CCCc1c[nH]c2ccc(Cl)cc12 71256330 WVJAOFXEMFUYEY-UHFFFAOYSA-N 207.660 2.953 30 40 BFEB CCOCC(F)(F)C(F)(F)C(F)(F)F 78455765 RLVZJGGYWZGIPM-UHFFFAOYSA-N 228.107 2.856 30 40 BFEB C[C@H](C#N)COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 107529931 JKZOXMMCZBROLG-NOOOWODRSA-N 221.300 2.516 30 40 BFEB CCc1ccc(CC)c(C(=O)CC#N)c1 113704470 BFEYCFDQLHFUNV-UHFFFAOYSA-N 201.269 2.908 30 40 BFEB COc1cccc(Nc2ccncc2C#N)c1 259655609 HSOMLBDXJFSZNG-UHFFFAOYSA-N 225.251 2.705 30 40 BFEB C=C(C)C(=O)c1cc(F)c(F)cc1F 306628825 KQOVDWWFKBMXSI-UHFFFAOYSA-N 200.159 2.863 30 40 BFEB NC(=O)c1cccc(/N=C/c2ccccc2)c1 587444 TXXNQTOHSAIHGO-MHWRWJLKSA-N 224.263 2.536 30 40 BFEB C=CCN1C(=O)C[C@@H](C)[C@H](CCCCC)C1=O 2280136 BYHQNTXNZMFOEA-NEPJUHHUSA-N 237.343 2.764 30 40 BFEB Nc1cccc(/C=C\C(=O)c2cccnc2)c1 25664303 COJAKGKKRFRPLP-SREVYHEPSA-N 224.263 2.560 30 40 BFEB Cc1nc2ccccc2nc1S[C@@H](C)C#N 29282278 WQBCGXRQDSBWKA-QMMMGPOBSA-N 229.308 2.942 30 40 BFEB C=C(C)CN(C)Cc1ccc(OC)c(OC)c1 40473613 WNFYTHNALFYEEY-UHFFFAOYSA-N 235.327 2.712 30 40 BFEB N#Cc1cccc(NCC2CCCCC2)n1 47478160 YJNNIBXTMBQMKL-UHFFFAOYSA-N 215.300 2.945 30 40 BFEB N#CCN1CCCC[C@@H]1Cc1ccccc1 69451328 QMQFONVRSKNHHN-CQSZACIVSA-N 214.312 2.607 30 40 BFEB CN(C)CC#Cc1ccc(Cl)c(Cl)c1 95633476 VEKKDFXVDAUVSM-UHFFFAOYSA-N 228.122 2.907 30 40 BFEB C/N=c1/scc(C)n1/N=C/C1CCCCC1 103458257 LDTFQRIVCZRDKF-BPFWAFMNSA-N 237.372 2.803 30 40 BFEB C=CCc1c(C)nc(Nc2ccccc2)[nH]c1=O 9939329 WEMZQFDEKKTXHP-UHFFFAOYSA-N 241.294 2.550 30 40 BFEB CC1=NOC(=O)/C1=C\c1ccc(Cl)cc1 17176005 XKTCNDWKBSLGGV-POHAHGRESA-N 221.643 2.656 30 40 BFEB Cc1nc(N2CCCC2)c(C#N)c2c1CCCC2 20573737 IBPDYPRSXZRTLV-UHFFFAOYSA-N 241.338 2.741 30 40 BFEB C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CC#N 76811578 NOJHQCNRNULPKZ-PWSUYJOCSA-N 218.275 2.527 30 40 BFEB N#C[C@@H]1CCCC[C@@H]1OC(=O)C1CCCC1 78612072 MKWRPFNJQYLXSL-RYUDHWBXSA-N 221.300 2.802 30 40 BFEB C[C@@H]1CC[C@@H]1COc1ccccc1C#N 96526437 IKGUADOPLFWHMY-ZYHUDNBSSA-N 201.269 2.983 30 40 BFEB CC(=O)/C(Cl)=N/Nc1ccc(Cl)cc1 103608312 RJHCGGWBOWGPJS-LCYFTJDESA-N 231.082 2.893 30 40 BFEB O=C1C=CC(=O)C(c2ccc3ccccc3c2)=C1 1718628 MSCCYTHLPNDBAJ-UHFFFAOYSA-N 234.254 2.931 30 40 BFEB C=C(c1ccccc1)[C@H](C)C(=O)OCC 5830633 XTHJALYHLDJHSB-NSHDSACASA-N 204.269 2.899 30 40 BFEB NC(=O)c1ccccc1/N=C/c1ccccc1 18090629 WTYSPZVEJRBEAA-MHWRWJLKSA-N 224.263 2.536 30 40 BFEB CCOC(=O)[C@@]1(CC)O[C@]1(C)CC(C)C 86166148 JTHRCBWVMLOORS-VXGBXAGGSA-N 214.305 2.533 30 40 BFEB C=C1C(=O)O[C@H]2[C@@H]1CC/C(C)=C/CC[C@]1(C)O[C@H]21 105264922 KTEXNACQROZXEV-WCOQVVKQSA-N 248.322 2.762 30 40 BFEB CC(C)Oc1ccccc1C(=O)CC#N 106679587 OVDUPYVEQFTYLG-UHFFFAOYSA-N 203.241 2.570 30 40 BFEB COc1cc(C=[N+]([O-])c2ccccc2)ccc1O 1082760980 ZFHHLFOGISCWQO-UHFFFAOYSA-N 243.262 2.662 30 40 BFEB C[Si](C)(C)C#Cc1ccc(N)cc1F 1625361858 XIWRRRNSZSQYRI-UHFFFAOYSA-N 207.324 2.637 30 40 BFEB C=CCN(CC=C)CCC(=O)c1cccs1 19595613 ZWPKCCGIKOTCBK-UHFFFAOYSA-N 235.352 2.995 30 40 BFEB Cc1cccc(C(=O)O[C@H]2CC[C@H](C#N)C2)c1 89669059 GGFNNPJMECRQFP-AAEUAGOBSA-N 229.279 2.844 30 40 BFEB CCO[C@H](C)OCC#Cc1cccc(F)c1 95632436 RGBHZCRTWCFLEO-NSHDSACASA-N 222.259 2.576 30 40 BFEB N#Cc1ccc([C@H](N)CC(F)(F)F)cc1 95659055 ONLNFAILJGPUGB-SECBINFHSA-N 214.190 2.510 30 40 BFEB CC1=NC(=N)S/C1=N\Nc1ccccc1F 111910332 CPUPUQJDVHGYAD-LWKLEPQFSA-N 236.275 2.694 30 40 BFEB C=CCN(CC=C)Cc1ccccc1OC 4599753 AEHRTODRTUMJCR-UHFFFAOYSA-N 217.312 2.869 30 40 BFEB C=CCNC(=S)NN=C1CCCCCCC1 5446531 UJGRNSVQALIUFN-UHFFFAOYSA-N 239.388 2.737 30 40 BFEB O=C(/C=C/n1nnc2ccccc21)c1ccccc1 5515465 TWALKYXYGJDSSH-ZHACJKMWSA-N 249.273 2.785 30 40 BFEB CN(C)c1ccc(/N=C/c2ccncc2)cc1 18152059 LPMPLAUWYMTZIV-LFIBNONCSA-N 225.295 2.898 30 40 BFEB Cc1nn(-c2ccccc2)c(C)c1N[C@H](C)C#N 40488678 VPQLOIDYRSNDJT-SNVBAGLBSA-N 240.310 2.813 30 40 BFEB N#Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 485417 IBCXGSVLOLMKAA-UHFFFAOYSA-N 240.237 2.950 30 40 BFEB CC(C)CCNCc1ccc(C#N)cc1 19912007 BAIBKQPJDCIBKB-UHFFFAOYSA-N 202.301 2.694 30 40 BFEB COc1cc(CC#N)cc(C(F)(F)F)c1 38529819 IZJPZDDRQKCSEL-UHFFFAOYSA-N 215.174 2.780 30 40 BFEB C[C@H](C#N)C(=O)Nc1ccc(Cl)cc1F 44825177 ARCMYITXMSMPFA-ZCFIWIBFSA-N 226.638 2.577 30 40 BFEB N#Cc1ccc(-n2cnc(Br)c2)cc1 72193519 VRQMELFJXPIGBS-UHFFFAOYSA-N 248.083 2.506 30 40 BFEB COC(=O)c1ccc(C#Cc2ccccc2F)o1 95642791 RSCSBXNKGKARLP-UHFFFAOYSA-N 244.221 2.605 30 40 BFEB O=C(/C=C(\O)c1cccnc1)c1ccccc1 101814612 GRTVREQUHXENGJ-ZROIWOOFSA-N 225.247 2.863 30 40 BFEB COc1ccc(C/[N+]([O-])=C/c2ccccc2)cc1 12951902 KDDFNVKRUJJILL-WJDWOHSUSA-N 241.290 2.825 30 40 BFEB C#Cc1cccc(NC(=O)c2ccoc2)c1 22761190 MPSOLSAHOSSAII-UHFFFAOYSA-N 211.220 2.513 30 40 BFEB OCC#Cc1ccc(-c2ccccc2)cc1 37470679 MMSVPQJJHFFDTB-UHFFFAOYSA-N 208.260 2.697 30 40 BFEB CCOC(=O)[C@H](C#N)c1ccccc1Cl 44197745 RASKCCDHQWXWHO-SECBINFHSA-N 223.659 2.510 30 40 BFEB C/C(=N/O)c1cc2cc(Cl)ccc2oc1=O 101442626 BJEKKYSRZFAYEN-MLPAPPSSSA-N 237.642 2.645 30 40 BFEB Cc1ccc(Cl)cc1NC(=O)CS 111844 AZODOFIBTCLCAB-UHFFFAOYSA-N 215.705 2.517 30 40 BFEB O=C[C@]1(c2ccccc2)CC1(Cl)Cl 4988652 JZEJRRIDBYKNGT-VIFPVBQESA-N 215.079 2.701 30 40 BFEB N#CC1(NC(=O)c2ccccc2F)CCCCC1 12357033 KDQQMEAEIKFPLQ-UHFFFAOYSA-N 246.285 2.782 30 40 BFEB C=CCn1c2c(sc1=S)[C@H](S)NC=N2 17217290 IVARXRNWUSMIOK-ZETCQYMHSA-N 243.382 2.656 30 40 BFEB Cc1ccc2oc(N(C)[C@H](C)CC#N)nc2c1 76093025 DEMKGORDMDXYGW-SNVBAGLBSA-N 229.283 2.875 30 40 BFEB CC1(C)[C@H]2CC[C@@]1(Br)/C(=N\O)C2 103672709 CSBGJIXXZJOLGS-NMBRCORJSA-N 232.121 2.790 30 40 BFEB [O-][N+](=Cc1ccccc1)C1CCCCC1 104145695 ZJLVWLICFJLAGC-UHFFFAOYSA-N 203.285 2.949 30 40 BFEB N#Cc1cccn1-c1ccc(Cl)cc1[N+](=O)[O-] 160016599 QVEISPXMHQQCPT-UHFFFAOYSA-N 247.641 2.911 30 40 BFEB Cc1sc(-n2cccc2C#N)c(C#N)c1C 223743711 DUJPDNUNEJDBAJ-UHFFFAOYSA-N 227.292 2.899 30 40 BFEB CC(=O)/C=C(\C)NC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 525727 WLUZYKNLIBMHCU-DJQYNMHYSA-N 249.354 2.834 30 40 BFEB biogenic CN(CCC#N)C(=O)Nc1ccc(Cl)cc1 1734870 PBMWGXVQBXUFOO-UHFFFAOYSA-N 237.690 2.717 30 40 BFEB C=C(C)/C=C(/C)[C@@](C)(C#N)C(=O)OC(C)C 5082581 YTWQJICNKCWVEC-LWMSPQMPSA-N 221.300 2.990 30 40 BFEB C#CCOc1ccc(/C=C/[N+](=O)[O-])cc1Cl 6620238 UZPSNCFBMZJKHD-AATRIKPKSA-N 237.642 2.599 30 40 BFEB N#CCNCc1ccc(-c2ccccc2F)o1 22076487 GBEBCITWGXCKOL-UHFFFAOYSA-N 230.242 2.699 30 40 BFEB C[C@H](C#N)Sc1nnc(Cc2ccccc2)o1 40456945 UBKMWIQKJMKUPX-SECBINFHSA-N 245.307 2.665 30 40 BFEB C=C1CC[C@H](O)[C@]2(C)CC[C@H]([C@@H](O)C(C)C)[C@@H]12 86032250 OZBVMKPZPKMEGY-RMEBNNNOSA-N 238.371 2.747 30 40 BFEB biogenic,in-vitro Cc1cc(C#N)ccc1N1C[C@H]2CC[C@H]1C2 101654854 XWVMEZAXUCNDLO-STQMWFEESA-N 212.296 2.855 30 40 BFEB in-vitro C=C(C)CNC(=O)NC[C@H](C)c1ccsc1 156613827 NTANGAFKBCCXOI-JTQLQIEISA-N 238.356 2.727 30 40 BFEB Cc1nn(C)c(C#C[Si](C)(C)C)c1Cl 216572075 CTZXCZZBWMCCDP-UHFFFAOYSA-N 226.783 2.611 30 40 BFEB C=C(C)C(=O)O[C@@H]1C[C@@H]2[C@H]3CC[C@H](C3)[C@H]2C1 263584121 KFVLPEIMNOGRJP-KSSYENDESA-N 220.312 2.930 30 40 BFEB in-vitro C=C1C(=O)O[C@@H]2C[C@@H](C)C(/C=C\C(C)=O)=CC[C@@H]12 4983273 RBRPTFMVULVGIC-DNNDBCHWSA-N 246.306 2.586 30 40 BFEB endogenous,in-man C=C(Cl)Cc1c(OC)cccc1OC 43208796 IDHVQHOAAXAHQW-UHFFFAOYSA-N 212.676 2.999 30 40 BFEB COc1ccc(F)cc1CS[C@@H](C)C#N 71862862 HHXWOBHCRUUPKV-QMMMGPOBSA-N 225.288 2.980 30 40 BFEB CCCC[C@H](O)C#Cc1cc(F)cc(F)c1 95631920 HBKWQKKEWCCZHC-ZDUSSCGKSA-N 224.250 2.867 30 40 BFEB CC(C)[C@H](O)CCN[C@@H](C)c1cccc(C#N)c1 97034573 NHVZRNFEWNZTGH-SWLSCSKDSA-N 246.354 2.616 30 40 BFEB C=CCCC(=O)c1ccc(F)c(C#N)c1 389436455 DBBRNHCAQHLTOT-UHFFFAOYSA-N 203.216 2.846 30 40 BFEB CCCCCCCCC[C@H](O)C(=O)O 2558057 MNRBGFKCVTVNBA-JTQLQIEISA-N 202.294 2.573 30 40 BFEB biogenic,in-man C=CCN(CC=C)C(=O)c1ccccc1OCC 2774468 PENIDMXONWLTNS-UHFFFAOYSA-N 245.322 2.900 30 40 BFEB CCC[C@H](C)OS(=O)(=O)c1ccc(C)cc1 5841416 HQSHAZLGVDYADJ-NSHDSACASA-N 242.340 2.889 30 40 BFEB COc1ccc(Cl)cc1/C=C/C=N\N(C)C 8637471 HZBWYAATRDJXJH-VHIXKULTSA-N 238.718 2.909 30 40 BFEB C=CCNCc1cccc(C(F)(F)F)c1 19875728 DIIKPHVCAARSQW-UHFFFAOYSA-N 215.218 2.981 30 40 BFEB N#Cc1c(F)c(F)c(F)c(Cl)c1F 35940205 SMPPDKRKAOZGQO-UHFFFAOYSA-N 209.529 2.768 30 40 BFEB C=CCN1CCC[C@H]1c1ccc2c(c1)OCCO2 58016297 BCDWMTHARICJQQ-ZDUSSCGKSA-N 245.322 2.781 30 40 BFEB N#CCCOCCCC(F)(F)C(F)(F)F 98210910 FJCKPNUBQKKWMO-UHFFFAOYSA-N 231.164 2.894 30 40 BFEB CC1(C)O[C@]12[C@H]1CC[C@H]2[C@H]2[C@H]1C=C[C@@]21OC1(C)C 104104525 POYSTDSITBWHIH-MTTTYWBQSA-N 246.350 2.924 30 40 BFEB C(=N/n1cnc2ccccc21)\c1ccccc1 348758 OPGLONOADIEPAF-MHWRWJLKSA-N 221.263 2.919 30 40 BFEB CCCCC[C@H]1CC(=O)C=C(C)[C@@H]1C(=O)OC 3881441 UCVHXLNJLVTIKO-AAEUAGOBSA-N 238.327 2.891 30 40 BFEB COc1cc([C@H](C#N)c2ccccc2)ccc1N 5853522 ZTSPBYDIKUOLPX-CYBMUJFWSA-N 238.290 2.933 30 40 BFEB N#Cc1ccc(Oc2ccc(C#N)cn2)cc1 19510945 CZQSKZFVDOVJND-UHFFFAOYSA-N 221.219 2.617 30 40 BFEB CC(C)SCC(=O)Nc1ccc(CC#N)cc1 24685522 IHIBJOKOTXIDMO-UHFFFAOYSA-N 248.351 2.833 30 40 BFEB CC(C)[C@](C)(C#N)NC(=O)CCc1ccccc1 32735967 YZBMIZAWSCZFLT-HNNXBMFYSA-N 244.338 2.674 30 40 BFEB N#Cc1cccnc1NCCCc1ccccc1 37485741 KJMAZOWHMFNKMF-UHFFFAOYSA-N 237.306 2.998 30 40 BFEB CC(C)[C@@H](c1ccccc1)N(C)CC#N 71903168 GOCKLLNAZBMHOH-ZDUSSCGKSA-N 202.301 2.839 30 40 BFEB C#CC[C@@H](C)NCc1csc(C(C)C)n1 78932799 RDETZBXRITUXDU-SNVBAGLBSA-N 222.357 2.768 30 40 BFEB CC[C@@]1(c2cccc(Cl)c2)O[C@H]1C(=O)OC 85657601 HGCIZFPBWACOCN-JQWIXIFHSA-N 240.686 2.517 30 40 BFEB C[C@@H](C#N)COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 107529928 JKZOXMMCZBROLG-FIQHERPVSA-N 221.300 2.516 30 40 BFEB C=CCCC(=O)N1C[C@H](C)C[C@@H](C)[C@@H]1C 195579017 MENCDQYKGOTJRY-UTUOFQBUSA-N 209.333 2.846 30 40 BFEB CCC/C=C(/C)[C@](C)(C#N)C(=O)OCC 1716493 AWYSUBWNOACNNC-CUZBXDDWSA-N 209.289 2.826 30 40 BFEB C=CCSc1nc(C)ccc1[N+](=O)[O-] 2051248 YGWYDZPRNVKPAV-UHFFFAOYSA-N 210.258 2.576 30 40 BFEB C/C(=N\N=C(/C)c1ccc[nH]1)c1ccc[nH]1 5788789 KZIPEPPNYIYQDH-KAVGSWPWSA-N 214.272 2.576 30 40 BFEB CC(C)c1nnc(COc2cccc(C#N)c2)o1 72086380 TYMWHRQUCNSIPC-UHFFFAOYSA-N 243.266 2.644 30 40 BFEB C=CCCCN(C)C(=O)NCc1ccccc1 76937322 MHHAXYLWFOTIEL-UHFFFAOYSA-N 232.327 2.794 30 40 BFEB CN(C)/C=C\C(=O)c1cccc(C(F)(F)F)c1 100255632 WWXXUJAADIZIRL-SREVYHEPSA-N 243.228 2.963 30 40 BFEB CCOC(=O)N=Cc1ccc(Cl)cc1 256080900 IWDQNLGTAIHREZ-UHFFFAOYSA-N 211.648 2.915 30 40 BFEB C=CCN1C(=O)C[C@@H](C)[C@@H](CCCCC)C1=O 2280137 BYHQNTXNZMFOEA-VXGBXAGGSA-N 237.343 2.764 30 40 BFEB C/C(=N\O)[C@H](C)Oc1ccc(Cl)cc1 13132901 SIGNYVMVYQBEHE-OTIXFSKASA-N 213.664 2.957 30 40 BFEB Nc1ccccc1/N=C/c1ccccc1O 17158398 ILNFSHVHMVYGNF-OQLLNIDSSA-N 212.252 2.725 30 40 BFEB Cn1cc(C(=O)/C=C/c2ccc(F)c(F)c2)cn1 49151418 XXDZOGJQDVKJGQ-HWKANZROSA-N 248.232 2.594 30 40 BFEB Cc1ccc(Br)c(C)c1C#N 64219798 LWNYUIFPPKCMKO-UHFFFAOYSA-N 210.074 2.938 30 40 BFEB CCCCc1ccc(C#CCN(C)C)cc1 95633279 PRMJVFAMZJUGQF-UHFFFAOYSA-N 215.340 2.942 30 40 BFEB N#Cc1cccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)c1 102809043 FTWGUGCITXEVNU-JKOKRWQUSA-N 238.290 2.709 30 40 BFEB C=CCc1cc(CO)cc(OCC)c1OCC 409111516 AUMWCLCTCYEVOC-UHFFFAOYSA-N 236.311 2.705 30 40 BFEB Cc1ccc(CNC2=CC(=O)CCC2)cc1 22127108 LHEYITQFVPVFBU-UHFFFAOYSA-N 215.296 2.722 30 40 BFEB N#CCN(c1ccccc1)C1CCCC1 66567266 MJBNEFRWVYVKLS-UHFFFAOYSA-N 200.285 2.959 30 40 BFEB N#CC1(NC(=O)C=C2CCCCC2)CCCC1 69455985 PIEOFVVVJAAYBZ-UHFFFAOYSA-N 232.327 2.829 30 40 BFEB CN(C1CCCCC1)[C@H]1CCC/C1=N/O 100986905 LSVQQNQRKHLAMM-KLDSGFLGSA-N 210.321 2.634 30 40 BFEB CCn1c(CCCC#N)nc2ccccc21 225297414 BFZDPPIWLPWTRB-UHFFFAOYSA-N 213.284 2.902 30 40 BFEB C[C@@H](O)C/N=C/c1cc2ccccc2nc1Cl 3445847 QQQBHWVTZIYKOH-KOLYXTFFSA-N 248.713 2.688 30 40 BFEB O=[N+]([O-])c1ccc(/N=C/c2ccco2)cc1 5513994 VYOUUMOMRHFVOV-XYOKQWHBSA-N 216.196 2.938 30 40 BFEB N#Cc1ccc(CCC(=O)NC2CCCC2)cc1 10754999 YVALAAUVZDUHLD-UHFFFAOYSA-N 242.322 2.550 30 40 BFEB N#CC1(NC2CCCC2)Cc2ccccc2C1 37968574 ACTVVTHFRKQSAJ-UHFFFAOYSA-N 226.323 2.580 30 40 BFEB C=C[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 72481972 HTSGDNSFEXHTTF-UWVGGRQHSA-N 211.305 2.866 30 40 BFEB COc1c(C)cc(Br)cc1CC#N 98211540 LZDZYCKLNXMPBY-UHFFFAOYSA-N 240.100 2.832 30 40 BFEB CCCCCCCCNCCOCCOC 100070081 JRMLFAIOOFGLSO-UHFFFAOYSA-N 231.380 2.600 30 40 BFEB C[C@@H]1C(=O)C=C2CCCC[C@H]2[C@@H]1CCC(=O)O 230140881 SURAKSVUYKMLLE-MVWJERBFSA-N 236.311 2.803 30 40 BFEB biogenic,in-vitro CC(C)OP(=O)(CC#N)OC(C)C 2539269 MQDIIJHQSUNBKA-UHFFFAOYSA-N 205.194 2.553 30 40 BFEB in-vitro C/C(CCc1c[nH]c2ccccc12)=N/O 13144535 MAIWVLSTHAALPQ-ZROIWOOFSA-N 202.257 2.951 30 40 BFEB CCOc1ccc(C(=O)CC#N)cc1Cl 84915627 GDUMFKAXQIULLK-UHFFFAOYSA-N 223.659 2.835 30 40 BFEB C/N=C(/C)c1c(C)n(C)c2ccccc12 101166814 PMSFIHLPUQHHLN-ZROIWOOFSA-N 200.285 2.926 30 40 BFEB N#CCc1cccc(CC#N)c1Br 1613634 BOPUVURABONJSQ-UHFFFAOYSA-N 235.084 2.581 30 40 BFEB C=CCSc1nc(C)c(C(C)=O)cc1C#N 3104311 JKYNGJIJLVDLIY-UHFFFAOYSA-N 232.308 2.742 30 40 BFEB CC1=N/C(=C\c2ccccc2)C(=O)S1 5806807 PKGDXNUNQWDKCD-YFHOEESVSA-N 203.266 2.719 30 40 BFEB CS/C(S)=N\N=C(/C)Cc1ccccn1 17128194 WUSIBFMGQLGUPZ-XYOKQWHBSA-N 239.369 2.649 30 40 BFEB CC(/C=C1\Nc2ccccc2C1=O)=C\N(C)C 32222283 KICCNSYIUSLTBK-YFWLALPLSA-N 228.295 2.644 30 40 BFEB CCn1nccc1/C=C\C(=O)c1cccc(O)c1 71785186 YEDNJVCDURGGGA-SREVYHEPSA-N 242.278 2.505 30 40 BFEB CC(C)(C)c1nc(O)c(Cl)cc1C#N 96510626 MVOYJDOCJYIBEY-UHFFFAOYSA-N 210.664 2.610 30 40 BFEB CO/N=C(\C)[C@H]1C[C@@H]1c1ccc(OC)cc1 5382263 AHVMJMWHTPGUEA-OVAFBMODSA-N 219.284 2.821 30 40 BFEB CC1(C)CC(=O)c2c(oc(N)c(C#N)c2=S)C1 16578220 ZUUQHHZDBNJGRR-UHFFFAOYSA-N 248.307 2.618 30 40 BFEB COc1ccccc1C(=O)CCCC#N 41211599 UZKWUGWNEDSRTF-UHFFFAOYSA-N 203.241 2.572 30 40 BFEB CC(=O)/C=C1\c2ccccc2CC(C)(C)N1C 100741875 RHBJTNWCTQYHEM-NTEUORMPSA-N 229.323 2.883 30 40 BFEB biogenic O=[N+]([O-])c1ccc(/C=N/Cc2ccco2)cc1 101033270 RHKQADNEWHGZDF-MDWZMJQESA-N 230.223 2.807 30 40 BFEB C=C[C@@H](CC(=O)OCC)[Si](C)(C)C 197469265 BWZNCQMWEJSNLG-VIFPVBQESA-N 200.354 2.834 30 40 BFEB Cc1ccccc1/C=N/c1ccc(C(N)=O)cc1 587382 KZZOGXFIFPSRRV-LICLKQGHSA-N 238.290 2.845 30 40 BFEB CCC/N=C1\SCC(=O)N1c1ccccc1 1658568 TXKYJCYKCWRQQX-SEYXRHQNSA-N 234.324 2.532 30 40 BFEB N#Cc1cccc(NC(=O)C[C@H]2C=CCC2)c1 8135485 SEZWGVFPGMSOCY-NSHDSACASA-N 226.279 2.853 30 40 BFEB C=CCOc1ccc(CO)cc1Br 62703180 WWIRTNVHQPAVPW-UHFFFAOYSA-N 243.100 2.506 30 40 BFEB Cc1c(Cl)cccc1C#CCN(C)C 95631585 OTQOJJQZPIASJH-UHFFFAOYSA-N 207.704 2.562 30 40 BFEB COCc1ccccc1N/C(N)=N/CC=C(C)C 191151157 RWGUQFHGCHEQGI-UHFFFAOYSA-N 247.342 2.526 30 40 BFEB CCc1c(N)cc(C#N)n1Cc1ccccc1C 225855594 LLQKLNKEHVJKTK-UHFFFAOYSA-N 239.322 2.861 30 40 BFEB CCCCSc1nc(N)c(C#N)c(C2CC2)n1 225893747 TVWAUWYGQOFTCD-UHFFFAOYSA-N 248.355 2.700 30 40 BFEB C=CCn1c(CO)ccc1CCc1ccccc1 226028768 ZFYRHFFWIWZGHW-UHFFFAOYSA-N 241.334 2.952 30 40 BFEB O/N=C1\[C@H]2CC[C@H](C2)[C@H]1n1cnc2ccccc21 5338696 CCDKTRCRBOOFBF-ZSPWBPGYSA-N 241.294 2.838 30 40 BFEB O=[N+]([O-])c1ccc(/C=N/N=C\c2ccco2)cc1 8637370 ZGMLBZYISUQBET-MGDWIPCISA-N 243.222 2.641 30 40 BFEB CC(C)(C#N)NCc1ccc(Cl)cc1 20177688 LBKAOIHQAJTUFS-UHFFFAOYSA-N 208.692 2.732 30 40 BFEB in-vitro C[C@H]1CCCC[C@H]1NC(=O)C1(C#N)CCCC1 44290558 SNMSYEXEBXQHRC-NWDGAFQWSA-N 234.343 2.765 30 40 BFEB Cc1ccc(OCc2ccc(C#N)cc2)nc1 77240651 HVOOAFIRHINGFY-UHFFFAOYSA-N 224.263 2.841 30 40 BFEB COC(=O)[C@@]1(C)O[C@@]1(C)c1cccc(Cl)c1 85657703 JDGYUFHKSLPQQX-NWDGAFQWSA-N 240.686 2.517 30 40 BFEB CC1=C/C(=N/c2ccc(N(C)C)cc2)C=CC1=O 100487204 TVFVEJDBKZLTOQ-DTQAZKPQSA-N 240.306 2.910 30 40 BFEB CC(C)n1cc(C#C[Si](C)(C)C)cn1 203600072 MDRWALABZUFQOT-UHFFFAOYSA-N 206.365 2.693 30 40 BFEB CN(C)c1ccc(NC2=CC(=O)CCC2)cc1 4235205 LCLBFNUHFCCMHT-UHFFFAOYSA-N 230.311 2.801 30 40 BFEB biogenic Cc1ccc(Nc2snc(O)c2C#N)cc1 32628043 UUSSJTAALVYGJO-UHFFFAOYSA-N 231.280 2.772 30 40 BFEB in-vitro N#Cc1c(Cl)cc(C(=O)O)cc1Cl 45919863 SXHGNXVZHQRYSN-UHFFFAOYSA-N 216.023 2.563 30 40 BFEB C=CCN(CC=C)C(=O)Cc1cccc(F)c1 47465524 YSFONYZCJWYMAR-UHFFFAOYSA-N 233.286 2.569 30 40 BFEB C[C@@H](c1ccncc1)N(C)Cc1ccc(C#N)o1 97113703 NKEVAUXYUUWQST-NSHDSACASA-N 241.294 2.739 30 40 BFEB Cc1cc(C)c(C#N)c(NC2CC=CC2)n1 98019329 ODNANQBCSVRFEZ-UHFFFAOYSA-N 213.284 2.701 30 40 BFEB C=C[C@H](C)OC(=O)c1cn(C(C)(C)C)nc1C 187573069 QCOZJSGQRQXJEV-VIFPVBQESA-N 236.315 2.678 30 40 BFEB C=C(C)c1ccc(B2Nc3ccccc3N2)cc1 195757205 JMKOIBVHSJKOST-UHFFFAOYSA-N 234.111 2.953 30 40 BFEB CC1CCC(Oc2cncc(C#N)c2)CC1 252492163 MENNYVKQHOOJNT-UHFFFAOYSA-N 216.284 2.911 30 40 BFEB C/C(=N\OC(=O)c1ccco1)c1cccs1 4535645 BAJZZLQKGFVEFS-XYOKQWHBSA-N 235.264 2.922 30 40 BFEB C[C@@H]1S/C(=N\c2cccc(Cl)c2)NC1=O 8535390 IPZKOYOOTZBBAZ-LURJTMIESA-N 240.715 2.579 30 40 BFEB CN(C)[C@H](C#N)c1ccc(C(F)(F)F)cc1 28580813 DDYIDLZSENGRIG-SNVBAGLBSA-N 228.217 2.832 30 40 BFEB CCCN(CCC)c1ncc(C#N)cc1C 72222242 ZAJZGDFDDKDOJR-UHFFFAOYSA-N 217.316 2.888 30 40 BFEB C[C@@H](C1CC1)N(CCC#N)Cc1ccncc1 95401531 RCJQWSGKAGXYFS-LBPRGKRZSA-N 229.327 2.596 30 40 BFEB OC1(C#Cc2cc(F)cc(F)c2)CCCC1 95631904 KXQFSZPSHHUUNK-UHFFFAOYSA-N 222.234 2.621 30 40 BFEB CC[C@H](CC#N)NC(=O)c1ccc(F)cc1C 97085160 PHQOOZPOTKCNPF-LLVKDONJSA-N 234.274 2.556 30 40 BFEB N#CC(=O)c1cc(Cl)ccc1Cl 100040243 OCMOGGGMWSRSAG-UHFFFAOYSA-N 200.024 2.700 30 40 BFEB in-vitro CN(C)C(=O)CCCSc1cccc(C#N)c1 188065592 AOMGOTFJKYZCHQ-UHFFFAOYSA-N 248.351 2.519 30 40 BFEB C=CCNC(=O)Nc1cccc(SC)c1 40525527 UBWYJEVELIESMH-UHFFFAOYSA-N 222.313 2.716 30 40 BFEB CC(C)Oc1cccc(-c2cc(CC#N)n[nH]2)c1 72220390 LTZZQKQZJAENRF-UHFFFAOYSA-N 241.294 2.930 30 40 BFEB Cc1cc(C#N)cc(CNC(=O)OC(C)(C)C)c1 1083812545 QLATZTSPWLGDAV-UHFFFAOYSA-N 246.310 2.891 30 40 BFEB C/N=C(\S)[C@@]1(c2ccccn2)CCCS1 617 ITNLONMDUMHEOK-NSHDSACASA-N 238.381 2.762 30 40 BFEB in-man CCCOC(=O)[C@H]1O[C@@]1(C)c1ccc(C)cc1 1733587 LCWUANUUEDYERB-OCCSQVGLSA-N 234.295 2.562 30 40 BFEB CCc1cccc(CC)c1NC(=O)CC#N 3263950 JYWRJDYJJKKDEO-UHFFFAOYSA-N 216.284 2.664 30 40 BFEB in-vitro Cc1occc1C(=O)Oc1ccc(C#N)cc1 7988657 HISONCKSGGIKGG-UHFFFAOYSA-N 227.219 2.679 30 40 BFEB COc1ccc(-n2cc(C#N)c3cccnc32)cc1 12396936 OUJOPHAMSAVRSS-UHFFFAOYSA-N 249.273 2.906 30 40 BFEB N#Cc1c(-c2cccnc2)ccnc1Cl 49815900 PBCWDGVRFPQCDI-UHFFFAOYSA-N 215.643 2.669 30 40 BFEB N#CCC(=O)c1c(F)cccc1Br 75903718 NGWWBCPMFABUDX-UHFFFAOYSA-N 242.047 2.685 30 40 BFEB CCO[C@@H](C)OCC#Cc1cc(F)ccc1C 95632391 ZYXOXMJCWNSSDL-GFCCVEGCSA-N 236.286 2.885 30 40 BFEB O=C1/C(=C/c2csnn2)CCc2sccc21 96403342 XTMUGLMWKFSNQB-FNORWQNLSA-N 248.332 2.812 30 40 BFEB O=[N+]([O-])c1ccccc1-c1ccc(/C=N/O)o1 289564 FTCIWFDLSSWXEP-KPKJPENVSA-N 232.195 2.663 30 40 BFEB CN1CCC/C1=C\C(=O)c1cccs1 5353698 ZDUUIWBNXBGVAT-CMDGGOBGSA-N 207.298 2.540 30 40 BFEB Cc1ccc(/N=C2\NCCS2)cc1Cl 13468468 AZTKGXBOWWDLAT-UHFFFAOYSA-N 226.732 2.972 30 40 BFEB Cc1ccc(C)c(C#CC2(O)CCCC2)c1 95633571 SGXLSDBMZZQYCO-UHFFFAOYSA-N 214.308 2.960 30 40 BFEB COc1ccc([C@@H]2C[C@H]2/C(C)=N/O)cc1 100926827 ZGVGXXXPBAOTHH-VKXYGBLQSA-N 205.257 2.649 30 40 BFEB CCn1c(C#N)cc(N)c1Cc1cccc(C)c1 225851255 JUIUBUADLVAAPI-UHFFFAOYSA-N 239.322 2.861 30 40 BFEB C=C1C[C@@H]2CC[C@H](C1)N2Cc1nc(C(C)C)no1 662082013 WEJUMLGSNLPIDZ-TXEJJXNPSA-N 247.342 2.876 30 40 BFEB O=C1C=CC(=O)c2cc(Cl)c(Cl)cc21 1726276 WHCHEHXXUJTVHP-UHFFFAOYSA-N 227.046 2.929 30 40 BFEB C=CCCc1ccc(C(=O)OCC)cc1 2245367 FAJWUEHSSKQPAZ-UHFFFAOYSA-N 204.269 2.982 30 40 BFEB OCCCC(F)(C(F)(F)F)C(F)(F)F 2530928 NMPABPRKIBGSGW-UHFFFAOYSA-N 228.107 2.592 30 40 BFEB O=C(O)c1ccc(/C=N/c2cccc(O)c2)cc1 3099674 NEPSFFQANHZROP-OQLLNIDSSA-N 241.246 2.841 30 40 BFEB Cc1ccc(-c2c(C#N)c(N)nc3c2CCC3)cc1 19938682 XBCKBPOBPKLHHO-UHFFFAOYSA-N 249.317 3.000 30 40 BFEB C=C(C)CN(C)Cc1cccc(OC)c1OC 40473616 IAKDQHGPVAEITK-UHFFFAOYSA-N 235.327 2.712 30 40 BFEB C#CC[C@](C)(O)c1cccc(Br)c1 63076735 CTSKPUMKMYFJKS-NSHDSACASA-N 239.112 2.680 30 40 BFEB Cc1cc(CC#N)c(F)cc1Br 216525025 BJIDGKVVRDUBKM-UHFFFAOYSA-N 228.064 2.963 30 40 BFEB Cc1ccc(C=O)n1Cc1ccc(C#N)cc1 226032606 UCEIIWMPVSKACT-UHFFFAOYSA-N 224.263 2.529 30 40 BFEB N#Cc1ccccc1-c1ccc(CN)cc1 1258316 LRGAANMQNVMQFA-UHFFFAOYSA-N 208.264 2.684 30 40 BFEB in-vitro CCOC(=O)[C@@H]1O[C@]1(C)c1ccc(Cl)cc1 1696023 DDQDBXJPGCKWGR-CMPLNLGQSA-N 240.686 2.517 30 40 BFEB C=C(Br)CCCCCC(=O)O 2579545 RDWFNHQYPDTHSM-UHFFFAOYSA-N 221.094 2.930 30 40 BFEB N#Cc1ccc(Oc2cccnc2)c([N+](=O)[O-])c1 9220873 DAFXDWRRIIKBGK-UHFFFAOYSA-N 241.206 2.654 30 40 BFEB CN(C)[C@H](C#N)c1c(F)cccc1Cl 19934589 SJDKTUGIDIZNBH-SECBINFHSA-N 212.655 2.605 30 40 BFEB N#C[C@H](N)c1ccc(OCc2ccccc2)cc1 22209584 WGTALOBHAWUYTB-HNNXBMFYSA-N 238.290 2.789 30 40 BFEB Cc1cc(NC(=O)CC#N)ccc1C(F)(F)F 39077227 MJFNEMGXZIMTSG-UHFFFAOYSA-N 242.200 2.866 30 40 BFEB O/N=C1\CCc2c1[nH]c1ccc(Cl)cc21 49538575 SEQUKMZNYSQIRO-GXDHUFHOSA-N 220.659 2.946 30 40 BFEB C#C[C@@H](OC(=O)c1ccc(C)cc1)C1CC1 89491206 PSRTUUQJRSTJLW-CYBMUJFWSA-N 214.264 2.564 30 40 BFEB C=CCn1c(C)nc(-c2ccccc2F)c1N 100761299 PBFCCCSTXRNNDY-UHFFFAOYSA-N 231.274 2.766 30 40 BFEB COc1ccc(OC)c(C(=O)C=C(C)C)c1 156102118 HGBMCQFAGYODOX-UHFFFAOYSA-N 220.268 2.853 30 40 BFEB C=CCN(Cc1cncn1C)c1ccccc1 195577936 USWXBGAANRKXIK-UHFFFAOYSA-N 227.311 2.613 30 40 BFEB COc1nccc(-c2ccc(F)cc2)c1C#N 1403516 IFUUGLMLKKBKIR-UHFFFAOYSA-N 228.226 2.768 30 40 BFEB N#Cc1cc2cccc(F)c2nc1Cl 11985174 TWICIRPDFWXDHZ-UHFFFAOYSA-N 206.607 2.899 30 40 BFEB CC(C)(C)/N=C1\SC[C@](C)(/C=N/O)S1 12416584 VZXPRSDUKJLRAH-YWHSMLCWSA-N 232.374 2.840 30 40 BFEB C/C(=C\C(=O)C(F)(F)F)NC1CCCCC1 13148037 GYESAFNKQXECCC-BQYQJAHWSA-N 235.249 2.944 30 40 BFEB C[C@H]1C[C@@H](C)CN([C@H]2/C(=N/O)[C@H]3CC[C@@H]2C3)C1 16608494 APPXPFIAWDFJGB-JCXAMMAUSA-N 236.359 2.593 30 40 BFEB [N-]=[N+]=Nc1cc(=O)n2c3c(cccc13)CCC2 17219775 LRWNORLHUYWPME-UHFFFAOYSA-N 226.239 2.890 30 40 BFEB C=CCNc1ccc(CNC(=O)OC(C)C)cc1 89116099 FPUQKWABBXFVGB-UHFFFAOYSA-N 248.326 2.919 30 40 BFEB C[C@H](CC#N)Nc1nc(-c2ccccc2)ns1 97096921 XXBVOIDTISPKEU-SECBINFHSA-N 244.323 2.919 30 40 BFEB C[C@H]1[C@H]2C[C@@H]([C@@H]1C=O)[C@H]1[C@H]3C=C[C@@H](C3)[C@H]21 103992759 IZLWCBCDUAJORE-PHDVOYOTSA-N 202.297 2.526 30 40 BFEB ClC(Cl)(Cl)/C=N\c1ncccn1 104206102 AWDYVYGWIXPIDG-QCDXTXTGSA-N 224.478 2.549 30 40 BFEB N#C[C@@]1(c2ccccc2)Cc2ccccc2C(=O)O1 3848213 MVGIOVXTGXMUPK-MRXNPFEDSA-N 249.269 2.819 30 40 BFEB biogenic Cc1csc(N/N=C/c2ccc(C#N)cc2)n1 4603518 INNXSYLWORRVQM-VGOFMYFVSA-N 242.307 2.769 30 40 BFEB NC1=N/C(=N/c2cccc(F)c2)c2ccccc21 5731780 HXFBEZDYFYNIDM-UHFFFAOYSA-N 239.253 2.623 30 40 BFEB N#Cc1cccc(C(=O)N2CCCCCCC2)c1 12976846 TWUSIWCHIHCGDI-UHFFFAOYSA-N 242.322 2.965 30 40 BFEB Oc1ccc(/C=N\N=C\c2ccc(O)cc2)cc1 17723532 UKWBKIBZVTUBQP-CKOAPEAFSA-N 240.262 2.551 30 40 BFEB C[C@H]1CC[C@H](NCc2cccc(C#N)c2)C1 70643408 LWYTYNNFJYRDTO-FZMZJTMJSA-N 214.312 2.836 30 40 BFEB C=CCNC(=S)Nc1ncc(C)cc1Cl 223918512 GBDHVZLIGDGBPZ-UHFFFAOYSA-N 241.747 2.516 30 40 BFEB ON=C[C@@H](c1ccccc1)N1CCCCC1 254350168 KCVGUNJBMPJYRV-ZDUSSCGKSA-N 218.300 2.674 30 40 BFEB C=CC[C@@H]1C(=O)CCCN1C(=O)OC(C)(C)C 1565504782 IFULSUGEXZQPFM-SNVBAGLBSA-N 239.315 2.531 30 40 BFEB CCc1c(C)sc(NC(=O)OC)c1C#N 376627 SRNTZNZBTPCMEE-UHFFFAOYSA-N 224.285 2.669 30 40 BFEB CCCCCCCCCOS(=O)(=O)O 2004468 KETHQOOVMIVLCH-UHFFFAOYSA-N 224.322 2.556 30 40 BFEB biogenic C/N=C(\Nc1ccnn1C(C)C)c1ccco1 13014822 KFMKLNJWWFUWOZ-UHFFFAOYSA-N 232.287 2.546 30 40 BFEB in-vitro O=C(/C=C/c1cccnc1)/C=C/c1cccnc1 15894745 UWILVEPRHIRCJK-KQQUZDAGSA-N 236.274 2.772 30 40 BFEB C/C=C\C=C/C(=O)c1ccc(OC)cc1O 17005691 NWVHMNPNVNFNFQ-OUPQRBNQSA-N 218.252 2.716 30 40 BFEB N/C(=N\Cc1ccccc1F)Nc1ccccc1 48069748 CGOLVNBMAHRWEI-UHFFFAOYSA-N 243.285 2.753 30 40 BFEB Cc1cc(/C=N/O)cnc1N1CCCCCC1 72222474 YPOWOUVEDXWCPX-XNTDXEJSSA-N 233.315 2.579 30 40 BFEB CCN(CC)CC#Cc1ccc(F)cc1 95632491 MRIATFPBTRTTNU-UHFFFAOYSA-N 205.276 2.519 30 40 BFEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)NCC)C2 100266954 WWKODCHKNNHTJY-MFKMUULPSA-N 207.317 2.505 30 40 BFEB C(=N/c1ccccn1)\c1ccc2c(c1)OCO2 1557535 NWIWCBIZIZOGSA-OVCLIPMQSA-N 226.235 2.561 30 40 BFEB O=C1CCC/C1=C\Nc1ccc([N+](=O)[O-])cc1 4675214 MMBGXJRDDJXSSI-CMDGGOBGSA-N 232.239 2.644 30 40 BFEB Cc1ccc(C#CC2(O)CCCC2)cc1 5380421 SAHXGLKQCDQTBL-UHFFFAOYSA-N 200.281 2.652 30 40 BFEB N#Cc1ccccc1OCc1ccncc1 19505838 AYLLRHVCUUUHSF-UHFFFAOYSA-N 210.236 2.532 30 40 BFEB in-vitro C[C@@H](CC#N)N(C)Cc1ccccc1F 42375299 GNHJTTJREKDYRO-JTQLQIEISA-N 206.264 2.560 30 40 BFEB COc1ccc([C@H]2C[C@@H]2/C(C)=N/O)cc1 100342826 ZGVGXXXPBAOTHH-CDRMENOJSA-N 205.257 2.649 30 40 BFEB Cc1ccccc1CCNc1ccc(C#N)cn1 106006785 BGMOLEWKUZTDBV-UHFFFAOYSA-N 237.306 2.916 30 40 BFEB CC(=O)ON=C1c2ccccc2-c2ccccc21 1730705 DQOITARARXXHJP-UHFFFAOYSA-N 237.258 2.983 30 40 BFEB C=CCC(C)(CC=C)NC(=O)C(F)(F)F 2643606 KIDSETXWKJCAPO-UHFFFAOYSA-N 221.222 2.576 30 40 BFEB COc1ccc([C@H]2C[C@@H]2/C(C)=N\O)cc1 5382205 ZGVGXXXPBAOTHH-IMQMQEMRSA-N 205.257 2.649 30 40 BFEB N#Cc1nc2ccccc2n1OCc1ccccc1 13207598 XFMBKJIWRHGCAJ-UHFFFAOYSA-N 249.273 2.537 30 40 BFEB C#CCNc1ccc(C(=O)OC(C)(C)C)cc1 34182050 WCHCOTTZGIWYPX-UHFFFAOYSA-N 231.295 2.687 30 40 BFEB in-vitro C=CCNC(=O)CCC(=O)c1cc(C)ccc1C 40459598 IDFNTCWUYWSVFJ-UHFFFAOYSA-N 245.322 2.569 30 40 BFEB N#Cc1ccc(-c2ccc(Cl)s2)[nH]c1=O 43395192 GNODEVHEEVJXRO-UHFFFAOYSA-N 236.683 2.628 30 40 BFEB N#Cc1c(F)cccc1Oc1cccnc1 60355766 QGWNHEVSQBMBPU-UHFFFAOYSA-N 214.199 2.885 30 40 BFEB C=CCOc1cc(Cl)ccc1NC(C)=O 68602696 CEVZVJKPWRKVFK-UHFFFAOYSA-N 225.675 2.863 30 40 BFEB CCN(CCCC#N)C[C@H](O)c1ccc(C)cc1 76015787 UKUMRCOILPLEAK-HNNXBMFYSA-N 246.354 2.654 30 40 BFEB COc1c(CF)c(C#N)cc(CF)c1CF 95080258 UJUZYQAQHSKKQV-UHFFFAOYSA-N 229.201 2.975 30 40 BFEB CCOc1ccc(C#CCN(CC)CC)cc1 95632085 QADQDTMELTULKX-UHFFFAOYSA-N 231.339 2.779 30 40 BFEB C=CCOc1cc(SC)sc1C(=O)O 96510931 DXRLGIAIMPWNKO-UHFFFAOYSA-N 230.310 2.733 30 40 BFEB Cc1nnc(S[C@H](C)C#N)n1-c1ccccc1 3409831 NFUYWFZTLUOGQE-SECBINFHSA-N 244.323 2.580 30 40 BFEB O=[N+]([O-])c1ccccc1/C=N/N1CCCCCC1 17004935 LNGHPPYFTTXOJP-SDNWHVSQSA-N 247.298 2.805 30 40 BFEB Cc1ccc2c(-c3nccnc3C#N)cccc2n1 20538666 PKWWKUBPIDUDRJ-UHFFFAOYSA-N 246.273 2.872 30 40 BFEB C=CC(=O)Nc1sc2c(c1C#N)CCCC2 36334886 AAVVOAJJZAYSLI-UHFFFAOYSA-N 232.308 2.623 30 40 BFEB C[C@@H](O)CC#Cc1ccc(F)c(Cl)c1 95632887 TZFHZGFQQGPLEO-MRVPVSSYSA-N 212.651 2.602 30 40 BFEB O=C1C2=C(C(=O)c3ccccc31)[C@@H]1C=C[C@@H]2CC1 100938781 MDJZPMOKQTXXEH-NXEZZACHSA-N 236.270 2.958 30 40 BFEB CC1=NC(=N)S/C1=N\Nc1cccc(C)c1 111910297 CLKBLZVZRFHJGD-BBVVTBKDSA-N 232.312 2.863 30 40 BFEB N#Cc1ccc(/C=C/c2ccc(O)c(F)c2)nc1 179325770 ZPQGZWOZCAWDRJ-DAFODLJHSA-N 240.237 2.968 30 40 BFEB CC[C@H](C)n1nc(CC(C)C)c(C#N)c1N 225832660 OHHITDKTFSIBLZ-VIFPVBQESA-N 220.320 2.506 30 40 BFEB C=CCOC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 1608555 HWLGQBWMTVDBMJ-GHMZBOCLSA-N 208.301 2.954 30 40 BFEB CCCCCCCCCC(=O)N1CCOCC1 1666722 DAOANAATJZWTSJ-UHFFFAOYSA-N 241.375 2.986 30 40 BFEB C=CCNC(=O)c1cc(OCC)c2ccoc2c1 72240164 MDYLSEFEXDOTPQ-UHFFFAOYSA-N 245.278 2.747 30 40 BFEB C=CCNC(=O)[C@@H](C)SCC1CCCC1 97138547 HBCQESIFOIHKAW-SNVBAGLBSA-N 227.373 2.601 30 40 BFEB CC(C)c1ccc2c(c1)[C@H](CC#N)C(=O)N2C 218747812 WDWVXFSQRMTQOJ-NSHDSACASA-N 228.295 2.784 30 40 BFEB CC(C)(C)OC(=O)N1CC2(CCC[C@H]2C#N)C1 953067596 IUMJTRGMPFSYRF-JTQLQIEISA-N 236.315 2.547 30 40 BFEB OC[C@@]1(c2ccccc2)O[C@H]1c1ccccc1 1659993 ZEVYUFMALOLWIC-GJZGRUSLSA-N 226.275 2.646 30 40 BFEB CCCCCCCCC(=O)NCCC#N 1672181 VYMFSMXBFHTQRD-UHFFFAOYSA-N 210.321 2.767 30 40 BFEB CCN1CCC(=NNc2ccc(C)cc2)CC1 4933603 LLIHLOBRWLLPTR-UHFFFAOYSA-N 231.343 2.879 30 40 BFEB O=C(/C=C/c1cccc(O)c1)c1ccc(O)cc1 7718006 CSCFYIQZNHRESD-RUDMXATFSA-N 240.258 2.994 30 40 BFEB biogenic,in-vitro C=CCOc1c(Cl)cc(/C=N\O)cc1OC 12729786 MYCDBJYLJNKAIS-QPEQYQDCSA-N 241.674 2.722 30 40 BFEB C=CCc1cc(C(=O)N(CC)CC)ccc1OC 14401782 FZISHBCHMUASMF-UHFFFAOYSA-N 247.338 2.906 30 40 BFEB Cc1cc(NC(C)C)nc(NC(C)C)c1C#N 31769715 WAGVTOORBHYHBV-UHFFFAOYSA-N 232.331 2.902 30 40 BFEB CCCCN1C(=O)/C(=N\O)c2c(C)ccc(C)c21 46085253 RJEPFJJXOFBDSM-QINSGFPZSA-N 246.310 2.628 30 40 BFEB C=CC[C@H]1C(=O)CCc2ccc(OC)cc21 90528769 ALHTVPCDRIWPFX-GFCCVEGCSA-N 216.280 2.870 30 40 BFEB C=CCOc1c(C(=O)O)sc(OC)c1Cl 96510977 SUFJQZXGCWPTNC-UHFFFAOYSA-N 248.687 2.673 30 40 BFEB N#CCCC[S@](=O)Cc1cccc(Cl)c1 97164030 YCEXGONQIHQJIU-OAHLLOKOSA-N 241.743 2.892 30 40 BFEB CC(C)N(C(C)C)[C@H]1/C(=N\O)[C@H]2CC[C@H]1C2 100965950 MRFLHLYWXUCRMH-ACIFZNPZSA-N 224.348 2.734 30 40 BFEB C[N+](C)=C/C=C(\Cl)c1ccc(F)cc1 2557620 YYSTZCSKXFYYRP-XFFZJAGNSA-N 212.675 2.748 30 40 BFEB C=CCNC(=O)c1ccc(N2CCCCC2)cc1 7504808 ABJNHEUYNVHFCV-UHFFFAOYSA-N 244.338 2.593 30 40 BFEB N#Cc1ccccc1CN1CCCCC1 19504667 GZCZPFLQOUIXII-UHFFFAOYSA-N 200.285 2.544 30 40 BFEB in-vitro C#Cc1cccc(NC(=O)NCc2ccoc2)c1 47829431 PWGBHGCRJSIVGJ-UHFFFAOYSA-N 240.262 2.583 30 40 BFEB CCOC(=O)[C@]1(CC)O[C@@]1(CC)C(C)C 86166027 XURXWESNUJXYDV-RYUDHWBXSA-N 214.305 2.533 30 40 BFEB N#CCN[C@@H](c1cc(F)ccc1F)C1CC1 96493179 RMNCPBDEAHRPGP-GFCCVEGCSA-N 222.238 2.529 30 40 BFEB C#CCn1c(=N)sc2c3ccccc3ccc21 100490558 PNPIHAGWWIJBMQ-UHFFFAOYSA-N 238.315 2.969 30 40 BFEB CCOC(=O)C[C@@H](/C(C)=N/O)c1ccccc1 100526151 TWIXQRGVRJUYDZ-LQELWAHVSA-N 235.283 2.574 30 40 BFEB CCn1c(C#N)cc(N)c1CCC(C)C 225851166 FOALVOYSHNKMJW-UHFFFAOYSA-N 205.305 2.550 30 40 BFEB ON=C[C@H](c1ccccc1)N1CCCCC1 254350163 KCVGUNJBMPJYRV-CYBMUJFWSA-N 218.300 2.674 30 40 BFEB C=CCNc1nc(=S)[nH]c2ccccc12 8793977 NJGDGQMYXXAMQF-UHFFFAOYSA-N 217.297 2.890 30 40 BFEB C/C(=N/O)c1ccc[n+](Cc2ccc(C)cc2)c1 12433180 HCUUTUIDLUSURP-SSZFMOIBSA-O 241.314 2.529 30 40 BFEB N#CCc1ccc(F)c(OC(F)(F)F)c1 22016547 YKZDFMRTJUSJDX-UHFFFAOYSA-N 219.137 2.790 30 40 BFEB C=C(C)CN1C[C@@H](C)N(CC(=C)C)[C@H](C)C1 191139219 YYQARNHGAHEMRM-ZIAGYGMSSA-N 222.376 2.533 30 40 BFEB C=CCn1c(C#N)cc(N)c1CCCCC 225853391 QHLLQYBPQRHFOE-UHFFFAOYSA-N 217.316 2.861 30 40 BFEB C=CCCN1CCC[C@H](COc2ccncc2)C1 1776001542 ZDPYTRZLJPZEKL-AWEZNQCLSA-N 246.354 2.749 30 40 BFEB O=C(/C=C/c1ccccc1)[C@@H]1CCCNCC1 35569156 CVPXCOGMHULQHQ-MYSGNRETSA-N 229.323 2.659 30 40 BFEB N#Cc1ccccc1S[C@@H]1CCCC[C@H]1O 93904203 HURCHGRSZNJGFW-DGCLKSJQSA-N 233.336 2.954 30 40 BFEB CN(N=O)C1=CC(=O)[C@]2(C)CC[C@@H]1C2(C)C 100363382 XIXAPCKYCBFXNO-UFBFGSQYSA-N 222.288 2.509 30 40 BFEB C=CCN(C(=O)OCC)c1ccccc1 1690305 IISQJHJPPWOHAP-UHFFFAOYSA-N 205.257 2.836 30 40 BFEB C=CCN(CC=C)P(=O)(OCC)OCC 1731306 OOMVZLLTDSBNPC-UHFFFAOYSA-N 233.248 2.842 30 40 BFEB C[C@H]1CCc2cnc(Cl)c(C#N)c2C1 5529464 YKENCXYWERSXCW-ZETCQYMHSA-N 206.676 2.731 30 40 BFEB C[C@H]1CN(Cc2ccccc2)[C@H](C)C/C1=N/O 12416444 VJXBICUWSHNVFV-WDHIUNPCSA-N 232.327 2.747 30 40 BFEB CC[C@@H]1CCCCN1C(=O)c1cccc(C#N)c1 12914254 IIVOJYWKWGXKHX-CQSZACIVSA-N 242.322 2.963 30 40 BFEB O=C1Nc2ccccc2/C1=N/c1ccc(F)cc1 18068547 NXPXTHPLHCNMOJ-UHFFFAOYSA-N 240.237 2.899 30 40 BFEB Cc1nnc(NC[C@H]2CC=CCC2)c(C#N)c1C 44572596 DXASWLVHNRWWIY-LBPRGKRZSA-N 242.326 2.733 30 40 BFEB CC(=O)[C@@H](C#N)c1ccccc1Br 55333561 HEOYKLZVKFUKNR-SECBINFHSA-N 238.084 2.645 30 40 BFEB Cc1ccc2ncnc(NC[C@H](C)C#N)c2c1 92658602 XGBRKDFUBAYAMC-SNVBAGLBSA-N 226.283 2.510 30 40 BFEB CC(C)C[C@@H](C)S(=O)(=O)/N=C(\O)C(C)(C)C 95396891 BNVHMWRPHWGURO-SECBINFHSA-N 249.376 2.753 30 40 BFEB N#Cc1oc2cc(Br)ccc2c1N 95929518 UDEDNRWYHFARBO-UHFFFAOYSA-N 237.056 2.649 30 40 BFEB in-vitro CC(C)Oc1ccc(N/C(N)=N/[C@H]2C[C@@H]2C)cc1 104174193 DIFJRWZTBPUZIN-GWCFXTLKSA-N 247.342 2.609 30 40 BFEB CC(=N/O)/C(C)=N/Nc1ccccc1Cl 104203642 QDTSUZGBUVBNEC-SDGJLLIDSA-N 225.679 2.978 30 40 BFEB CC(C)(C)C(=O)/C=C\Nc1ccc(C(=O)O)cc1 104911580 JSIQBGBRGGPCIG-HJWRWDBZSA-N 247.294 2.926 30 40 BFEB O=CCCc1c(F)ccc(Cl)c1F 106491100 PLQKQHKSFJOSHB-UHFFFAOYSA-N 204.603 2.750 30 40 BFEB CCc1ccc(C#N)n1-c1cc(C)ccn1 225303255 QRBCTFXONJLBPA-UHFFFAOYSA-N 211.268 2.615 30 40 BFEB Cc1cc(C(=O)O)c(C)n1-c1ccc(C#N)cc1 22167086 ORSXGNINDOCEIA-UHFFFAOYSA-N 240.262 2.664 30 40 BFEB CCSCC[C@@H](C)N(C)c1ncccc1C#N 74770838 HRBPNGZDHYIBOY-LLVKDONJSA-N 249.383 2.921 30 40 BFEB CC(C)c1nc([C@@H]2CCCN2CCCC#N)no1 75573286 WUDGYRJJIPXPDW-NSHDSACASA-N 248.330 2.634 30 40 BFEB CC(C)c1nnc(CNc2ccc(C#N)cc2)o1 84631266 BVQNIWDIDIWPGL-UHFFFAOYSA-N 242.282 2.677 30 40 BFEB CC(C)(C)n1cc(C#N)cc1NC(=O)C1CCC1 95360970 FCNVKXMVGUHADQ-UHFFFAOYSA-N 245.326 2.853 30 40 BFEB Cc1ccc(C#CCN(C)C)cc1Cl 95631636 AUJAZJLCQSALOI-UHFFFAOYSA-N 207.704 2.562 30 40 BFEB C=CCNC(=O)[C@@]12CC[C@H](C1)C(C)(C)C2=C 100261440 HIXCMJQKRMGHHF-RISCZKNCSA-N 219.328 2.671 30 40 BFEB C/C(Cl)=N\OC(=O)Nc1cccc(F)c1 100677753 JOCATTCFNOHYOP-AWNIVKPZSA-N 230.626 2.946 30 40 BFEB C[Si](C)(C)C#Cc1cnc2ccccn12 169903256 OWDSIDOCUBKBCZ-UHFFFAOYSA-N 214.344 2.563 30 40 BFEB in-vitro CSc1ccc(C(=O)C[n+]2ccccc2)cc1 1667110 UWYRGBAXHTXFMH-UHFFFAOYSA-N 244.339 2.579 30 40 BFEB C/[N+]([O-])=C/c1ccc(-c2ccccc2)cc1 2665333 BDTHFCOOVXAIRV-PTNGSMBKSA-N 211.264 2.913 30 40 BFEB CC[C@H]1S/C(=N\c2ccc(C)c(C)c2)NC1=O 6870745 QOAWFXHUXAWIKK-LLVKDONJSA-N 248.351 2.933 30 40 BFEB C(=N/N1CCOCC1)\c1cccc2ccccc12 16526168 KNJHYUXZCBYQFS-FOWTUZBSSA-N 240.306 2.506 30 40 BFEB Cc1ccc(NN=C2CCCCC2=O)cc1 254354390 SVFSFFXAWSSMEM-UHFFFAOYSA-N 216.284 2.906 30 40 BFEB C=CC[C@]12CCC(=O)C=C1CCC1(C2)OCCO1 5601132 IEGFKZPXGZISTN-CQSZACIVSA-N 248.322 2.765 30 40 BFEB N#CC1(C(=O)NC2CCCCCC2)CCCC1 7334456 SPULVQFHABYMIC-UHFFFAOYSA-N 234.343 2.909 30 40 BFEB O=C(O)[C@@H](S)c1ccc2ccccc2c1 8581322 DGZKIYVMIQKIPB-NSHDSACASA-N 218.277 2.895 30 40 BFEB N#CCCn1nc(C2CC2)cc1C(F)(F)F 12394491 BHBWSZZEIZJTDX-UHFFFAOYSA-N 229.205 2.693 30 40 BFEB C[C@@H](C#N)Sc1nc2ccccc2[nH]1 13284271 OEHUTRQAHVVYSO-ZETCQYMHSA-N 203.270 2.567 30 40 BFEB CCN(C[C@@H](C)C#N)C(=O)c1sccc1C 42295903 SHAHTTNDQMBAHO-VIFPVBQESA-N 236.340 2.678 30 40 BFEB Cc1occc1COC(=O)c1cccc(C#N)c1 71905087 FWAXKJVWTIEGEX-UHFFFAOYSA-N 241.246 2.817 30 40 BFEB Cc1cc(Cl)ccc1C#CC[C@@H](C)O 95633447 VGNGUVWXDQSJTR-SNVBAGLBSA-N 208.688 2.771 30 40 BFEB CC[C@](C)(O)C#Cc1cc(C)ccc1C 95633550 YBQFWPNYOKUHPF-AWEZNQCLSA-N 202.297 2.816 30 40 BFEB C[C@H](NCC#N)c1nc(-c2ccccc2)cs1 96502751 FYKDPCSVRFJFGZ-JTQLQIEISA-N 243.335 2.984 30 40 BFEB CC1=NC(=N)S/C1=N\Nc1ccc(C)cc1 102568182 RDUKZXJAPASMEU-BBVVTBKDSA-N 232.312 2.863 30 40 BFEB CCCCCCCCc1c(C)[nH]c(N)nc1=O 1746194 KAVWOTQVDDCBHZ-UHFFFAOYSA-N 237.347 2.564 30 40 BFEB CC1=C[C@@H]2[C@H](C(C)C)[C@@H](O)C[C@@H](C)[C@@H]2CC1=O 14918465 KLDSZMWMGCWFKH-GIEZYDSUSA-N 236.355 2.811 30 40 BFEB biogenic,in-vitro CCCCCNCc1ccc(C#N)cc1 19901391 JMUZNQIZWMZPRA-UHFFFAOYSA-N 202.301 2.838 30 40 BFEB N#C[C@@H](c1ccccc1Cl)N1CCC(=O)CC1 20178605 UWDNKWRRPDGVPY-ZDUSSCGKSA-N 248.713 2.570 30 40 BFEB N#Cc1ccc(OC(=O)CCc2ccco2)cc1 66324658 PMVKLGRPQOESJX-UHFFFAOYSA-N 241.246 2.689 30 40 BFEB C=CCN1CCC(NC[C@@H]2CC=CCC2)CC1 95433984 RHJVZOBQRRZTMP-CQSZACIVSA-N 234.387 2.583 30 40 BFEB Oc1cccc(/C=N/c2ccccc2)c1O 65271 IKCNVDHSEBASIB-NTEUORMPSA-N 213.236 2.848 30 40 BFEB O=C1C(=C(Cl)Cl)C(=O)c2ccccc21 1586017 WXQUUTXSVOLBLA-UHFFFAOYSA-N 227.046 2.755 30 40 BFEB O=C(/C=C/N1CCCCC1)c1ccccc1 4265241 JUKQCVUTWXGONX-FMIVXFBMSA-N 215.296 2.869 30 40 BFEB Cc1cc(O)cc2c1C(=O)/C(=C/c1ccco1)O2 6668949 VTLMXJLHRQKLMG-GHXNOFRVSA-N 242.230 2.910 30 40 BFEB N#Cc1sc(-c2ccccc2)cc1N 16696882 AYJOWWJCBULTIM-UHFFFAOYSA-N 200.266 2.869 30 40 BFEB Cc1cccc(/C=C\C(=O)[C@@H](C)CN(C)C)c1 17175549 HWQBZSPRWAFEEK-YXVBKTCISA-N 231.339 2.775 30 40 BFEB Cc1sc(NC(=O)NC(C)C)c(C#N)c1C 24561973 RSEOLVRDEWKQLP-UHFFFAOYSA-N 237.328 2.767 30 40 BFEB O=Cc1ccc(/C=C\C(=O)c2ccccc2)o1 33371893 WUJBMWMNRLSJID-HJWRWDBZSA-N 226.231 2.988 30 40 BFEB COc1cc(CC#N)ccc1OCC(F)(F)F 36379715 WCWNLAFKRNRWCD-UHFFFAOYSA-N 245.200 2.702 30 40 BFEB in-vitro C=CCNC(=O)Nc1ccc(C)cc1Cl 40525673 YAYLOWFJZBQVLN-UHFFFAOYSA-N 224.691 2.956 30 40 BFEB CCc1n[nH]c(NCc2cc(C#N)cs2)c1C 89280080 GFZQDRDGFRZLQK-UHFFFAOYSA-N 246.339 2.826 30 40 BFEB Cn1nc(OCC(C)(C)C)c2ccc(C#N)cc21 225773070 ZTUZUYIIKRGSAK-UHFFFAOYSA-N 243.310 2.870 30 40 BFEB N#CCc1cc(Br)c(Cl)cn1 306710031 VSTYCKHHAVBWBT-UHFFFAOYSA-N 231.480 2.564 30 40 BFEB C=C[C@@](F)(OC(F)(F)F)C(F)(F)F 2530906 WBIQBVWPTRRHCM-GSVOUGTGSA-N 212.064 2.937 30 40 BFEB N#CC1(c2ccccc2[N+](=O)[O-])CCCC1 10372745 JNLTVPSNJCIFKD-UHFFFAOYSA-N 216.240 2.930 30 40 BFEB N#CC[C@@H](C#N)c1ccc(Br)cc1 41264875 ZBDOFUOVIWTPCZ-VIFPVBQESA-N 235.084 2.970 30 40 BFEB Cc1nn(C)c(C)c1C(=O)/C=C/c1ccsc1 49151596 SCVOVUKVVDIQQE-SNAWJCMRSA-N 246.335 2.995 30 40 BFEB C=C(C)CN1CCC[C@@H]1c1c(C)nn(C)c1C 71878777 VWDZOMSASZLVKI-CYBMUJFWSA-N 233.359 2.750 30 40 BFEB C=CCOc1c(Cl)csc1C(=O)OC 96510944 BJZBDPNDCIGWIX-UHFFFAOYSA-N 232.688 2.753 30 40 BFEB N#Cc1ccc(/N=N\N2CCCC2)cc1 104317277 RDVZYERLISWMGZ-YPKPFQOOSA-N 200.245 2.653 30 40 BFEB CCCCc1nn([C@H](C)CC)c(N)c1C#N 225832621 JZVSRBFABHCHOH-SECBINFHSA-N 220.320 2.651 30 40 BFEB N#Cc1ccc(CN[C@H]2CCC[C@@H]2F)c(F)c1 585298588 XTAQMSAWCAXYJG-AAEUAGOBSA-N 236.265 2.678 30 40 BFEB N#Cc1cc([N+](=O)[O-])ccc1Oc1cccnc1 6923169 WXCBXJCTUPDQLV-UHFFFAOYSA-N 241.206 2.654 30 40 BFEB CC1=NOC(=O)/C1=C/C=C/c1ccccc1 17160079 JHDGLWZMXLLMLW-LRELXJSQSA-N 213.236 2.559 30 40 BFEB Cc1ccc(C#N)c(N[C@H](C)c2ccncc2)n1 43395464 UCQJTZABCDTSPG-LLVKDONJSA-N 238.294 2.830 30 40 BFEB CCCCc1ccc(C(=O)/C=C\C(=O)O)cc1 95727007 ZUTBWIHBDNGBDF-KTKRTIGZSA-N 232.279 2.853 30 40 BFEB CC(C)Cc1ccc(C(=O)CC=O)cc1 101836633 QOBHAPOOFMFVMU-UHFFFAOYSA-N 204.269 2.657 30 40 BFEB C[C@H](C#N)COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 107529925 JKZOXMMCZBROLG-RHYQMDGZSA-N 221.300 2.516 30 40 BFEB N#Cc1c(Cl)ccc(C(=O)O)c1Cl 199693373 MHXAKISAXHNZEE-UHFFFAOYSA-N 216.023 2.563 30 40 BFEB CSc1sc(C#N)c2c1C(=O)CCC2 5200007 XCQGJLOXOOACNB-UHFFFAOYSA-N 223.322 2.861 30 40 BFEB O/N=C1/CCCCCC[C@H]1N1CCCC1 5612817 FNTSLCJAGSRJQM-NPRUJURCSA-N 210.321 2.635 30 40 BFEB CN(Cc1cccc(F)c1)c1ncccc1C#N 12810545 YAHOCOYNFIVMHU-UHFFFAOYSA-N 241.269 2.729 30 40 BFEB C=CC[C@@](C#N)(C(=O)OCC)/C(C)=C\CC 16929457 YLNSVSVUJNMTES-ZWXCPPHNSA-N 221.300 2.992 30 40 BFEB Nc1ccccc1S[C@@H]1/C(=N\O)[C@H]2CC[C@H]1C2 100965183 PISNIZCRWOGPJQ-YORITBEKSA-N 248.351 2.990 30 40 BFEB CC(=O)[C@H](C#N)Cc1ccc(Cl)cc1F 228981149 CHQCEXVEPLNVRR-VIFPVBQESA-N 225.650 2.750 30 40 BFEB CN(/N=C/c1ccco1)c1ccc([N+](=O)[O-])cc1 408891700 BOEMLGIQFDBJTO-UKTHLTGXSA-N 245.238 2.658 30 40 BFEB C=C1C[C@@H]2CC[C@H](C1)N2Cc1cc(C)no1 662082763 XRGQJWJSGDWJPG-TXEJJXNPSA-N 218.300 2.666 30 40 BFEB C=C(c1ccccc1)[C@]1(O)CCCC[C@@H]1N(C)C 1588616 MLNPNKQUANSWIW-JKSUJKDBSA-N 245.366 2.935 30 40 BFEB C=C(C)COP(=O)(OCC)OCC 1602866 NNJQYEKABAGRGY-UHFFFAOYSA-N 208.194 2.760 30 40 BFEB Cc1nc(-c2ccccc2)sc1C#N 2548361 KCPBBFJBDVUEIO-UHFFFAOYSA-N 200.266 2.990 30 40 BFEB O=C1C(=O)c2ccccc2/C1=C\c1ccccc1 3159445 YOFNCPDSUQUNBQ-GXDHUFHOSA-N 234.254 2.993 30 40 BFEB C=C(C)Cc1c(O)ccc2ccc(=O)oc12 3851797 AGBDCAVWZDTBKU-UHFFFAOYSA-N 216.236 2.617 30 40 BFEB biogenic Cc1cccnc1/N=C/c1ccccc1C(=O)O 11536099 HQVXBERCHJCQAF-CXUHLZMHSA-N 240.262 2.839 30 40 BFEB CCc1c(C)nc(N(CC)CC)c(C#N)c1C#N 35324074 AFZXJANZQCZPCO-UHFFFAOYSA-N 242.326 2.542 30 40 BFEB CCN(C[C@H](C)C#N)C(=O)CC1CCCC1 42296134 DPFYOMLICICFMF-LLVKDONJSA-N 222.332 2.575 30 40 BFEB COC(=O)[C@@H](C)CSCc1ccc(C#N)cc1 78824453 WWFRCVZJKLWKJO-JTQLQIEISA-N 249.335 2.601 30 40 BFEB N#CC1(c2ncccc2C(F)(F)F)CC1 95094265 NJGFEORSLZDDKE-UHFFFAOYSA-N 212.174 2.656 30 40 BFEB CCN(CC)CC#Cc1cccc(C)c1C 95632042 APCDACLHYZMXSF-UHFFFAOYSA-N 215.340 2.997 30 40 BFEB C#CC[C@H](OC(=O)c1ncoc1C)C(C)(C)C 97165996 LASLIQAAIPSADV-JTQLQIEISA-N 235.283 2.578 30 40 BFEB CC(C)=CC(=O)c1ccc2c(c1)CCO2 169161704 FAOUUNMWHSZBPX-UHFFFAOYSA-N 202.253 2.770 30 40 BFEB CN(C(=O)c1ccc(C#N)cc1)C1CCCCC1 3243871 CHPHXVHDRUZVPF-UHFFFAOYSA-N 242.322 2.963 30 40 BFEB C#Cc1cccc(NC(=O)c2cccc(C)n2)c1 13011994 LQTDZMIWRZQCAG-UHFFFAOYSA-N 236.274 2.624 30 40 BFEB CC[C@H](NC(=O)CC#N)c1cccc(Cl)c1 95942141 PTPRIOQRNAELIV-NSHDSACASA-N 236.702 2.821 30 40 BFEB CC#CCN(Cc1ccccc1OC)C1CC1 95961289 HKUBNXUISXEFCW-UHFFFAOYSA-N 229.323 2.683 30 40 BFEB CC(=O)C/C(C)=N\c1ccc([N+](=O)[O-])cc1 100069103 KNBUYZVBVBGNPG-WQLSENKSSA-N 220.228 2.666 30 40 BFEB O=C(/C=C(/O)C(F)(F)F)c1cccs1 100496915 UGHMGUXSEYFBLC-QPJJXVBHSA-N 222.187 2.935 30 40 BFEB N#C/C(=N\Nc1ccc(Cl)cc1)C(=O)C1CC1 165588 GQAPBPRFQIFNNV-LFIBNONCSA-N 247.685 2.611 30 40 BFEB N#Cc1ccccc1CNC1CCCC1 812220 FFCUEAICCZPCEW-UHFFFAOYSA-N 200.285 2.590 30 40 BFEB in-vitro CC[C@@H](C(=O)c1ccccc1)[n+]1ccccc1 1665856 ZXVBRAUOHHFPBI-AWEZNQCLSA-N 226.299 2.808 30 40 BFEB COc1cc(C#N)ccc1OCC(=O)C(C)(C)C 9885518 DNXMMEGTHZWLRI-UHFFFAOYSA-N 247.294 2.561 30 40 BFEB C=C(C)[C@@H]1CCCN1C(=O)OC(C)(C)C 72207957 WYGWDWVOEABTCU-JTQLQIEISA-N 211.305 2.962 30 40 BFEB Cc1ccc(-c2cc(CC#N)n[nH]2)c(C)c1 72220378 FABQEGLKLDDVRV-UHFFFAOYSA-N 211.268 2.760 30 40 BFEB C#C[C@@H](C)OC(=O)c1cc(Cl)c(Cl)[nH]1 76090887 ZYSLZSWCPKFVEJ-RXMQYKEDSA-N 232.066 2.500 30 40 BFEB C#CCN(CCCCC#N)Cc1cccc(C)n1 76144231 DFPZPSQAWWCREL-UHFFFAOYSA-N 241.338 2.519 30 40 BFEB CCc1cc(C#N)n(Cc2ccccc2)c1 78405026 ADDYTSATWCQECB-UHFFFAOYSA-N 210.280 2.970 30 40 BFEB N#Cc1ncn(CC2CCCCCC2)c1C#N 97379950 UMHBMQLOUNKOSB-UHFFFAOYSA-N 228.299 2.597 30 40 BFEB COc1ccc(O)c(/C=N/c2cc(C)ccn2)c1 100325174 OZIVLNXCGFAGSQ-CXUHLZMHSA-N 242.278 2.855 30 40 BFEB COC(=O)c1ccc(Cl)c(C#N)c1Cl 212849314 JITBLAYTOQLGNF-UHFFFAOYSA-N 230.050 2.652 30 40 BFEB C=C1CN(C(=O)c2ccccc2)C(=S)S1 1610186 OZBVBOGETJFESA-UHFFFAOYSA-N 235.333 2.674 30 40 BFEB C=C(C)[C@H]1CC[C@]2(C)CCC(=O)C[C@]2(O)C1 1657055 IPKALXMMEORCDC-IACUBPJLSA-N 222.328 2.853 30 40 BFEB N#Cc1ccccc1N1CCCCCC1 2243811 QNRADTVJBORONY-UHFFFAOYSA-N 200.285 2.939 30 40 BFEB Fc1ccc(/C=N/N2CCCCC2)c(F)c1 3370499 ROLMKFSXDVARIR-OQLLNIDSSA-N 224.254 2.785 30 40 BFEB C=CCNc1nnc(SCCCC#N)s1 5783452 XXFYRZOPEOMGOH-UHFFFAOYSA-N 240.357 2.532 30 40 BFEB COc1cc(/C=N/O)cc(Cl)c1OC(C)C 13747281 FCHGETRXSCIEMI-AWNIVKPZSA-N 243.690 2.944 30 40 BFEB Cn1ccnc1SCc1cc(C#N)ccc1F 19847537 OLWUAQKHUCIKDG-UHFFFAOYSA-N 247.298 2.723 30 40 BFEB CCOC(=O)CCCCOc1ccccc1C#N 71916018 NCBXCLOXJNEUTN-UHFFFAOYSA-N 247.294 2.670 30 40 BFEB CCN(CC)CC#Cc1cc(C)cc(F)c1 95632273 YASBHMHNJNTDRW-UHFFFAOYSA-N 219.303 2.827 30 40 BFEB N#CCCN1CCC[C@@H](COc2ccccc2)C1 96411351 HTGFKJCYXGATLY-CQSZACIVSA-N 244.338 2.691 30 40 BFEB CC(=O)/C(Cl)=N\Nc1ccc(C)c(C)c1 104498162 ORSTXWJWUQASDG-SDNWHVSQSA-N 224.691 2.857 30 40 BFEB CC[C@H](C)n1c(C#N)cc(N)c1Br 225889331 CVLCLWJPLAKDEL-LURJTMIESA-N 242.120 2.675 30 40 BFEB ON=Cc1cc(C(F)(F)F)ccc1F 257352182 JQMMUIVVZDLKHV-UHFFFAOYSA-N 207.126 2.653 30 40 BFEB N#Cc1cnccc1/C=C/c1ccc(O)cc1 390835736 WMPXFDVNTDGPCL-DAFODLJHSA-N 222.247 2.829 30 40 BFEB N#CCC[C@@H](CC#N)C1([N+](=O)[O-])CCCCC1 5566712 XYWOIASCGPGSJO-NSHDSACASA-N 235.287 2.800 30 40 BFEB Cc1nnc(NCc2cccs2)c(C#N)c1C 29365625 CHUSWWGSQJXKNQ-UHFFFAOYSA-N 244.323 2.639 30 40 BFEB C#Cc1cccc(NC(=O)c2occc2C)c1 41637049 XLZQTGMPRVUBIT-UHFFFAOYSA-N 225.247 2.822 30 40 BFEB Cc1ccc(C)c(NC(=O)NC[C@@H](C)C#N)c1 75109134 RRGDAGAOJBWPBA-JTQLQIEISA-N 231.299 2.585 30 40 BFEB CN(C)c1ccc([C@@H]2CC(=O)C=C(O)C2)cc1 95098748 ODAOCAVIVMZAEA-NSHDSACASA-N 231.295 2.641 30 40 BFEB Cc1c(N)cc(C#N)n1Cc1ccc(Cl)cc1 225854290 SQAGYGKUERTXPY-UHFFFAOYSA-N 245.713 2.952 30 40 BFEB C=CCn1c(CCCC)ccc1C(=O)O 226026936 PDOLHKNXXYEVEG-UHFFFAOYSA-N 207.273 2.715 30 40 BFEB C=C(C)c1ccc(C(F)(F)F)nc1N 2049305464 FTIMYTNESFWIMS-UHFFFAOYSA-N 202.179 2.716 30 40 BFEB Oc1ccc2ccccc2c1/C=N\CCS 16952134 QDJJVKUMVWKKAO-ZROIWOOFSA-N 231.320 2.894 30 40 BFEB C#Cc1cccc(NC(=O)CC(F)(F)F)c1 40496732 VQKRYLVABQFDOJ-UHFFFAOYSA-N 227.185 2.559 30 40 BFEB CN(C)/C=C/c1nc(C(F)(F)F)c(C#N)s1 52530577 BHDFFHFUQCAESY-ONEGZZNKSA-N 247.245 2.566 30 40 BFEB N#Cc1cc2cnn(-c3ccccc3)c2cc1C#N 66091642 NOFHNAPPWMHQHR-UHFFFAOYSA-N 244.257 2.769 30 40 BFEB CCOC(=O)[C@]1(CC)O[C@@]1(C)C(C)(C)C 86166094 NGUCTUCFTUGNFT-RYUDHWBXSA-N 214.305 2.533 30 40 BFEB Fc1cccc(C#CCO[C@@H]2CCCCO2)c1 95632456 SNXJPYSFXWYIEG-CQSZACIVSA-N 234.270 2.720 30 40 BFEB C[C@@H](CC#N)NC1CCN(c2ccccc2)CC1 95946793 RVRFIFCAPYKSJG-ZDUSSCGKSA-N 243.354 2.547 30 40 BFEB O/N=C1/[C@@H]2CCC[C@@H]1[C@@H](N1CCCCC1)CC2 217348973 UEMQBUNIAKDORY-HQSMDSMWSA-N 236.359 2.881 30 40 BFEB N#Cc1ccc(C(=O)C(F)(F)Cl)cc1 307284807 NPYWINUOGIDWPU-UHFFFAOYSA-N 215.586 2.573 30 40 BFEB C#C[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 409430549 GZAJGEZQGRLLNE-LLVKDONJSA-N 235.327 2.657 30 40 BFEB C=CCNC(=O)/C(C)=C(\C)c1ccc(F)cc1 1567556 KLVNOTXOIZUNRN-ZHACJKMWSA-N 233.286 2.921 30 40 BFEB C=C(C)[C@@H]1CC[C@@]2(C)CCC(=O)C[C@]2(O)C1 4974873 IPKALXMMEORCDC-KWCYVHTRSA-N 222.328 2.853 30 40 BFEB C[C@H]1CN(Cc2ccccc2)[C@@H](C)C/C1=N\O 9330864 VJXBICUWSHNVFV-RFAVTROOSA-N 232.327 2.747 30 40 BFEB COc1ccc2nc(O)c(/C=N/C(C)C)cc2c1 12417118 DYXLZFGULDZRSN-OVCLIPMQSA-N 244.294 2.776 30 40 BFEB N#Cc1ccc(C(=O)c2cccnc2Cl)cc1 43210267 KJXQJPSYRHMEPU-UHFFFAOYSA-N 242.665 2.838 30 40 BFEB CC(C)(C)C(=O)c1ccc(F)c(C#N)c1 75855027 CJCVPKAUADIECO-UHFFFAOYSA-N 205.232 2.926 30 40 BFEB F[C@@H]([C@@H](F)C(F)(F)F)C(F)(F)F 95681987 CFSHSCBNZAKMAT-XIXRPRMCSA-N 202.044 2.787 30 40 BFEB in-vitro CC1(C)C[C@@H](O[C@@H]2CCCCO2)[C@@H]2O[C@]2(C)C1 104208931 FZQIFZSZUOJRQD-NRWUCQMLSA-N 240.343 2.876 30 40 BFEB C=CCn1nc(Br)c2ccccc21 218821674 DSXFHXIUUFUNQE-UHFFFAOYSA-N 237.100 2.985 30 40 BFEB C=CCn1c(C#N)cc(N)c1N1CCCCCC1 225872504 INIXKOBWSQUTRP-UHFFFAOYSA-N 244.342 2.508 30 40 BFEB CCCCC[C@H](N)B1OC(C)(C)C(C)(C)O1 1307258388 AJMCTZBLONLMJD-JTQLQIEISA-N 227.157 2.525 30 40 BFEB C=CCNC(=O)c1cc2cc(C)ccc2nc1C 27768085 SELRKTXPGSPNEV-UHFFFAOYSA-N 240.306 2.767 30 40 BFEB N#Cc1cccc(C(=O)/C=C/c2cccnc2)c1 59270246 JYLWYNWUYFURGJ-VOTSOKGWSA-N 234.258 2.849 30 40 BFEB CC(C)(C)c1ccc(COC[C@@H]2CO2)cc1 95096165 YEKXBSNYZMOLEH-CYBMUJFWSA-N 220.312 2.900 30 40 BFEB OC1(C#Cc2cc(F)c(F)c(F)c2)CCCC1 95632753 XJEXBUMEFBRRIB-UHFFFAOYSA-N 240.224 2.761 30 40 BFEB CCOc1cc(Cl)c(C#N)cc1[N+](=O)[O-] 225726843 KPGINNGUTPPXBQ-UHFFFAOYSA-N 226.619 2.519 30 40 BFEB CN1[C@H]2CC[C@H]1/C(=C/c1ccccc1F)C(=O)C2 252497749 QOYAYEDOUJZKHE-QNSKNQLSSA-N 245.297 2.645 30 40 BFEB CCn1cc(/C=C/C(=O)c2ccc(F)cc2)cn1 6490270 BNOJSDHCTRKUHQ-FPYGCLRLSA-N 244.269 2.938 30 40 BFEB C[C@H]1CCC[C@H](C)N1/N=C/c1ccc(O)c(O)c1 6587768 YSLIHMORGMIAII-BVLLQVSASA-N 248.326 2.695 30 40 BFEB O=C(/C=C/c1cccnc1)c1ccc(F)cc1O 36719690 CWEGKILUODMLJC-ZZXKWVIFSA-N 243.237 2.822 30 40 BFEB N#CC1(c2cccs2)CCC(=O)CC1 39251581 ALRLCKXXSWRJQO-UHFFFAOYSA-N 205.282 2.653 30 40 BFEB CSc1ccc(/C(Cl)=N/O)cc1 39596203 UHQFKEVSGKCPCU-NTMALXAHSA-N 201.678 2.783 30 40 BFEB C=C(C)CN1CCC(c2cnn(CC)c2)CC1 97200458 KGKWWFTVSSXHCK-UHFFFAOYSA-N 233.359 2.659 30 40 BFEB COc1c(C(F)(F)F)ccc(F)c1C#N 97447215 MFKNWSGMIWAEPF-UHFFFAOYSA-N 219.137 2.725 30 40 BFEB CC(C)Oc1ccc(N/C(N)=N/[C@@H]2C[C@H]2C)cc1 104174196 DIFJRWZTBPUZIN-ZWNOBZJWSA-N 247.342 2.609 30 40 BFEB N#Cc1cnccc1Oc1cccc(F)c1 399516846 PCDMQYJBDQEULW-UHFFFAOYSA-N 214.199 2.885 30 40 BFEB O=C(/C=C/c1cccnc1)c1ccccc1 4352956 MHYINARESROASH-CMDGGOBGSA-N 209.248 2.978 30 40 BFEB CNC(=S)N/N=C/C1=C(Cl)CCCCC1 5510485 WJNSJZCZSLMHTP-NTUHNPAUSA-N 245.779 2.523 30 40 BFEB Cc1cc(C)nc(/N=C/c2ccccc2)n1 5541384 XNPRCYLJHGSQKP-NTEUORMPSA-N 211.268 2.844 30 40 BFEB N#C[C@@H](Nc1ccccc1)c1ccccn1 6732161 UCPRBCNEOGYFEY-CYBMUJFWSA-N 209.252 2.758 30 40 BFEB in-vitro Cn1cc(C(=O)/C=C/c2cc(F)ccc2F)cn1 49151313 IYHRAMBFIGZGLP-GORDUTHDSA-N 248.232 2.594 30 40 BFEB N#CCC(=O)c1cccn1-c1cccc(F)c1 85396824 QUCTXJBKAJLTCI-UHFFFAOYSA-N 228.226 2.713 30 40 BFEB C[C@H](O)CC#Cc1ccc(Cl)c(F)c1 95633396 HROCHSGTDOYKJP-QMMMGPOBSA-N 212.651 2.602 30 40 BFEB C[C@H]1CC[C@H]1COc1ccc(C#N)cc1 96526458 JSQIEDNLUQCLIA-JQWIXIFHSA-N 201.269 2.983 30 40 BFEB CC(C)(C#CC[C@H]1C[C@H]2C=C[C@H]1C2)OC[C@H]1CO1 230316286 QXCQGMCSHFXREC-CBBWQLFWSA-N 246.350 2.786 30 40 BFEB N#CCCCC(=O)c1cccnc1Cl 2392721 AJPJQBOWWOLZLI-UHFFFAOYSA-N 208.648 2.612 30 40 BFEB C[n+]1ccc(/C=C/c2cccc(C#N)c2)cc1 5002266 YVICVMLZSBROTI-AATRIKPKSA-N 221.283 2.553 30 40 BFEB N#CC1(NC(=O)c2cccc(F)c2)CCCCC1 12357022 RGRFDMQJKTUTKF-UHFFFAOYSA-N 246.285 2.782 30 40 BFEB Cc1ccc(C(=O)/C=C\N(C)C)cc1C 12394496 SLLJLNGZUQJZCR-FPLPWBNLSA-N 203.285 2.561 30 40 BFEB CC(C)(CO)/N=C/c1ccccc1Cl 12403012 ZLMIBFJYFFRHFJ-NTUHNPAUSA-N 211.692 2.530 30 40 BFEB CC(C)(C)c1ccc(C(=O)/C=C\C(=O)O)cc1 33364638 APBQKTQKFFYBES-HJWRWDBZSA-N 232.279 2.808 30 40 BFEB N#Cc1cn(C(=O)c2cccnc2)c2ccccc12 49835096 OBHGEAQOBYRZCY-UHFFFAOYSA-N 247.257 2.596 30 40 BFEB CCOc1ccc(-c2ccc(C#N)o2)cc1N 73640495 OLQVILJBOMDGOH-UHFFFAOYSA-N 228.251 2.799 30 40 BFEB CC(C)CN1C(=O)[C@H](CC#N)c2ccccc21 218748275 LKHFOYOPNNCNEH-GFCCVEGCSA-N 228.295 2.686 30 40 BFEB COc1ccc(C)cc1/N=C1\NCCCS1 3223837 LQSRHZWIYCSFAJ-UHFFFAOYSA-N 236.340 2.718 30 40 BFEB COC(=O)N1C(C)=Cc2ccccc2[C@@H]1C#N 5432056 ZCJCRAWZFKXDOB-LBPRGKRZSA-N 228.251 2.694 30 40 BFEB Cc1cccc(C(=O)Nc2ccc(C#N)cc2)n1 12892160 XHQLLOHEXHLNMH-UHFFFAOYSA-N 237.262 2.514 30 40 BFEB N#C[C@H](N)c1c(Cl)cccc1Cl 19269151 SIGRSXMNRRYYAW-ZETCQYMHSA-N 201.056 2.517 30 40 BFEB C=CCN(CC=C)C(=O)c1cccc(N(C)C)c1 58046092 KPRCVTGSSWRIFX-UHFFFAOYSA-N 244.338 2.567 30 40 BFEB FC(F)(F)c1ccc(C[C@@H]2CO2)cc1 82164160 NQWOVJJSRRUKGU-SECBINFHSA-N 202.175 2.647 30 40 BFEB in-vitro FC(F)COC(F)(F)[C@@H](F)C(F)(F)F 103538421 ZECYXTJLYXGPOQ-VKHMYHEASA-N 232.070 2.761 30 40 BFEB in-vitro CC(C)(C)C(=O)/C=C/Nc1cccc(O)c1 409104541 JQKSAPVSNFVOSD-BQYQJAHWSA-N 219.284 2.933 30 40 BFEB C=C(CC/C=C(/C)CO)[C@@H]1CC=C(C)[C@@H](O)C1 2332242430 PXCAMHCTNIGGNE-WDXBHHQGSA-N 236.355 2.979 30 40 BFEB COc1cc2c(C)nc(C)c(C#N)c2cc1OC 493848 KBXLLNYYEQKXIK-UHFFFAOYSA-N 242.278 2.741 30 40 BFEB CC(C)Sc1nc2sccn2c1/C=N/O 3027894 DEBNXFPNDKJMAI-BJMVGYQFSA-N 241.341 2.704 30 40 BFEB Fc1ccc(N/N=C/c2ccccn2)c(F)c1 5161835 DWNQXUQNCJQMGH-LZYBPNLTSA-N 233.221 2.806 30 40 BFEB O/N=C1/CCCCC[C@H]1CN1CCCCC1 5375971 RHSWYEAHLNNPHP-JOLOJFPGSA-N 224.348 2.883 30 40 BFEB C[C@H](O)c1cccc(N/C=C2/CCCC2=O)c1 6398972 WFMYEPBRDXODSX-JMZICWNOSA-N 231.295 2.789 30 40 BFEB N#Cc1ccccc1COC(=O)c1ccccc1 7005174 ZQPKVCCOJDLOFM-UHFFFAOYSA-N 237.258 2.915 30 40 BFEB COc1ccc(C(=O)C#Cc2ccccc2)cc1 15780391 DDJSNTJBCFBIQV-UHFFFAOYSA-N 236.270 2.930 30 40 BFEB Cc1ccc(C(=O)/C(=N\N)c2ccccc2)cc1 16291669 WVUBYFTZVOKMKG-VKAVYKQESA-N 238.290 2.541 30 40 BFEB Cc1ccc(N/N=C2/CCCCC2=O)cc1 18088088 SVFSFFXAWSSMEM-QINSGFPZSA-N 216.284 2.906 30 40 BFEB N#Cc1nccnc1Oc1ccc(Cl)cc1 169679 YVSOONNTGHVNGY-UHFFFAOYSA-N 231.642 2.794 30 40 BFEB O/N=C1\[C@H]2CCC[C@@H]1CC[C@H]2N1CCCCC1 5376051 UEMQBUNIAKDORY-HLOXPZGFSA-N 236.359 2.881 30 40 BFEB C=C(C)CNC(=S)N1c2ccccc2C[C@@H]1C 6330891 FKOJKGROVRJHAU-NSHDSACASA-N 246.379 2.888 30 40 BFEB C#CCN[C@@H](C)c1ccccc1Br 19875493 KIMSQOPNTPBCKA-VIFPVBQESA-N 238.128 2.733 30 40 BFEB N#Cc1ccccc1Oc1ccc(CO)cc1 20435244 PTJBIEPYEKWSSY-UHFFFAOYSA-N 225.247 2.843 30 40 BFEB CCOc1cc(/C=N/O)ccc1OCC(C)C 33720514 XREMPHDABPBCIY-RIYZIHGNSA-N 237.299 2.928 30 40 BFEB C=C1CC[C@@H](O)[C@]2(C)CC[C@@H](C(C)C)[C@H](O)[C@@H]12 34235782 WKKJGHCXVKEJNU-QRTUWBSPSA-N 238.371 2.747 30 40 BFEB biogenic,in-vitro N#C[C@H](C=O)c1cccc(C(F)(F)F)c1 37354642 VQGJJMDQKGPLGT-MRVPVSSYSA-N 213.158 2.511 30 40 BFEB CCCCn1cc(C#C[Si](C)(C)C)cn1 216571461 IGFDZGJBKLGCLS-UHFFFAOYSA-N 220.392 2.912 30 40 BFEB O=C[C@@H]1CCN(CC2CC2)c2ccccc21 217550618 SICNGCLFBUCVGB-LBPRGKRZSA-N 215.296 2.589 30 40 BFEB CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](C=O)CC1 306285468 UYNAFGOCUOKXDS-XYPYZODXSA-N 241.331 2.611 30 40 BFEB N#CCc1ccccc1CN1CCCCC1 125008 CBGMZSHVKUVUNY-UHFFFAOYSA-N 214.312 2.739 30 40 BFEB CCCC/N=C/c1nc2ccccc2n1C 2267404 RAQZDIVPEIVCQD-GXDHUFHOSA-N 215.300 2.792 30 40 BFEB C=CCOc1ccc(C=O)cc1Br 3764992 DHDSNZIXKSHPEM-UHFFFAOYSA-N 241.084 2.826 30 40 BFEB N#Cc1ccc(-n2cnc3ccccc32)cc1 13782574 XAQRIJONSMHWCJ-UHFFFAOYSA-N 219.247 2.897 30 40 BFEB in-vitro O=CC[C@@H]1CCCCN1Cc1ccccc1 34217393 GFLCFWIJWNDRSA-AWEZNQCLSA-N 217.312 2.630 30 40 BFEB C=C[C@@H](N)c1cccc(Br)c1 83945131 WKJYNZMOMAKRRL-SECBINFHSA-N 212.090 2.635 30 40 BFEB N#Cc1c(-c2ccccc2)ccnc1S 96529795 BKOJKFCZZIMHAK-UHFFFAOYSA-N 212.277 2.909 30 40 BFEB CC(C)CC(=O)C1=C(O)c2ccccc2C1=O 101996850 XLGORMZCXDBMNV-UHFFFAOYSA-N 230.263 2.767 30 40 BFEB C(#CCN1CCCCCC1)CN1CCCCCC1 1599826 SPHPCGYXRFWXPR-UHFFFAOYSA-N 248.414 2.742 30 40 BFEB C=CCOC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 1608552 HWLGQBWMTVDBMJ-QWRGUYRKSA-N 208.301 2.954 30 40 BFEB CC(=O)/C=C/c1ccc(/C=C/C(C)=O)cc1 1621767 HMMREUHYFATSFZ-GGWOSOGESA-N 214.264 2.891 30 40 BFEB COc1ccc(N[C@H](C#N)c2ccco2)cc1 3073888 OEZIPBDRTBQLBY-GFCCVEGCSA-N 228.251 2.965 30 40 BFEB Cc1ccc(/N=C2/NC(=O)[C@H](C)S2)cc1C 8412825 NZXVNUZNPAPYPP-VIFPVBQESA-N 234.324 2.542 30 40 BFEB N#Cc1c(F)c(Cl)c(F)c(C#N)c1F 16158187 GBKXRWNDORMHSG-UHFFFAOYSA-N 216.549 2.501 30 40 BFEB O[C@@H](C#Cc1cccs1)c1ccccc1 19796786 JSJWJGGDTYNCCE-ZDUSSCGKSA-N 214.289 2.833 30 40 BFEB CO/C(O)=C(\[N+]#N)C(=O)CCCc1ccccc1 137365590 KWFHDJDBKGCOLL-UHFFFAOYSA-O 247.274 2.805 30 40 BFEB CCCCCCCSc1nccc(=O)[nH]1 2289869 LMJNFALMZBNKQN-UHFFFAOYSA-N 226.345 2.832 30 40 BFEB O/N=C(/C/C(=N\O)c1ccccc1)C(F)(F)F 4016966 RAGZTZDGGUSFMI-YVKOIJOCSA-N 246.188 2.648 30 40 BFEB COc1ccccc1/C=N/c1nc(C)cc(C)n1 5541385 NTEQYXQFEDYSFO-OQLLNIDSSA-N 241.294 2.853 30 40 BFEB N#Cc1cc2cc3c(cc2nc1Cl)OCCO3 11985202 UQUUELSGNFXSMV-UHFFFAOYSA-N 246.653 2.531 30 40 BFEB O=C(/C=C\c1ccccc1)c1ccccn1 12416774 UYYLCENCUQKANA-KTKRTIGZSA-N 209.248 2.978 30 40 BFEB CC(C)(C)n1nc(C2CCCC2)c(C#N)c1N 39954885 MUCSRDDDQXGSJL-UHFFFAOYSA-N 232.331 2.750 30 40 BFEB N#Cc1ccc(N[C@H]2C[C@@H]2c2ccccc2)nc1 44416849 IWLNXDMOVXQCDA-KGLIPLIRSA-N 235.290 2.921 30 40 BFEB C#CC[C@@](C)(O)c1ccc(Br)cc1 63076732 CQVDSRPULLALKA-LLVKDONJSA-N 239.112 2.680 30 40 BFEB C=CCNCc1ccc(C)c(C)c1OCC 95094900 OBLAXLVDUPYMQQ-UHFFFAOYSA-N 219.328 2.978 30 40 BFEB CCCn1ncc(C#C[Si](C)(C)C)c1C 203600097 AIZWLHIMJRBHLQ-UHFFFAOYSA-N 220.392 2.830 30 40 BFEB C[C@@H]1C[C@@H](C)CN([C@H]2/C(=N/O)[C@H]3CC[C@H]2C3)C1 257345249 APPXPFIAWDFJGB-RVUMNRQBSA-N 236.359 2.593 30 40 BFEB SCc1cc2c(cc1Br)OCO2 4522199 NONZRLDQAMZUPT-UHFFFAOYSA-N 247.113 2.608 30 40 BFEB CC(C)[C@@H](C)NC(=O)CCc1ccc(C#N)cc1 10749522 WSMDFQAAKQVYMI-GFCCVEGCSA-N 244.338 2.652 30 40 BFEB CCCCCNc1ccc(N)cc1C#N 20134939 XBIRFJNZSOJPRQ-UHFFFAOYSA-N 203.289 2.743 30 40 BFEB C=CCn1c(C(=O)O)cc2sccc21 32501252 OXWSFZVFOYISON-UHFFFAOYSA-N 207.254 2.587 30 40 BFEB N#Cc1cccc(CNc2ccccc2CO)c1 35039627 MNOVDMZTYJCGIE-UHFFFAOYSA-N 238.290 2.663 30 40 BFEB C=CCCCOc1ccc(-n2cncn2)cc1 72673947 DKQXAMBELYGTOA-UHFFFAOYSA-N 229.283 2.612 30 40 BFEB CCCCCCCCC(=O)N1CCO[C@H](C)C1 102933312 UBXJIAOJBBLVTR-CYBMUJFWSA-N 241.375 2.984 30 40 BFEB C=C[C@H](C)OC(=O)c1cc(C)n(C(C)(C)C)n1 187581465 SFUDAGCOYPTYED-JTQLQIEISA-N 236.315 2.678 30 40 BFEB CC(C)C(=O)N1c2ccccc2[C@H](C=O)C[C@@H]1C 217549521 ITIXEQRDDZXHDL-RYUDHWBXSA-N 245.322 2.750 30 40 BFEB CCn1nc(C)c(/N=C/c2ccco2)c1C 408976190 QGRKVSYOZFVOIL-MDWZMJQESA-N 217.272 2.863 30 40 BFEB CCC[C@H]1Cc2nc(Cl)c(C#N)cc2CO1 535388 KFVSRNXTWJGDHQ-JTQLQIEISA-N 236.702 2.848 30 40 BFEB CC(C)(C)OC(=O)N1O[C@H]1c1ccc(C#N)cc1 2570067 ACXPNVRTMHEHMQ-VPHXOMNUSA-N 246.266 2.739 30 40 BFEB C=CCN(CC=C)C(=O)[C@H]1C[C@@H]1c1ccccc1 2749175 YJHWTZHJXZBDAX-CABCVRRESA-N 241.334 2.991 30 40 BFEB CC(C)c1ccc(CN(C)CC#N)cc1 44296897 BZPWMTODXPJQPQ-UHFFFAOYSA-N 202.301 2.765 30 40 BFEB CCCc1ccc(C(=O)N[C@H](C#N)CC)cc1 69369208 HTZFXBRSTRFCFX-ZDUSSCGKSA-N 230.311 2.671 30 40 BFEB CCCC/C(O)=N/S(=O)(=O)C(CC)CC 73838432 QFBPXFNJKIQFGF-UHFFFAOYSA-N 235.349 2.652 30 40 BFEB O/N=C\c1ccc(C#Cc2ccccc2)cc1 95932530 KXYAPNJEVXAHOP-VBKFSLOCSA-N 221.259 2.895 30 40 BFEB CC(C)(C)/N=C\c1ccc([N+](=O)[O-])cc1 103619774 BZCRPTQYJYKZDH-WQLSENKSSA-N 206.245 2.812 30 40 BFEB COC(=O)c1ccccc1C(=O)C=C(C)C 309351734 FDUXBXXOTFKDPB-UHFFFAOYSA-N 218.252 2.622 30 40 BFEB C=CC[C@@]12CCC(=O)C=C1CCC1(C2)OCCO1 1614473 IEGFKZPXGZISTN-AWEZNQCLSA-N 248.322 2.765 30 40 BFEB Cc1ccc(C(=O)Nc2ccc(C#N)cc2)o1 3451485 IPWXLDMZBODMIA-UHFFFAOYSA-N 226.235 2.712 30 40 BFEB CCNc1oc(-c2ccccc2OC)nc1C#N 16779458 DFOAMTCJKUCGKT-UHFFFAOYSA-N 243.266 2.654 30 40 BFEB N#C[C@@H](N)c1ccc(Cl)c(Cl)c1 22178319 OIJOTGFCYGNHDS-MRVPVSSYSA-N 201.056 2.517 30 40 BFEB N#Cc1ccc(Nc2ccc(Cl)nn2)cc1 34973921 GHQZIZYUHWUMKV-UHFFFAOYSA-N 230.658 2.745 30 40 BFEB in-vitro COc1c(Br)cc(C)cc1C#N 57339534 FEPZDVGZFVGRCT-UHFFFAOYSA-N 226.073 2.638 30 40 BFEB C#C[C@H](C)OC(=O)c1cc(Cl)c(Cl)[nH]1 76090884 ZYSLZSWCPKFVEJ-YFKPBYRVSA-N 232.066 2.500 30 40 BFEB N#Cc1ccncc1SC(F)(F)F 91252748 XRFUYCPWCNLEGR-UHFFFAOYSA-N 204.176 2.565 30 40 BFEB O=C1ON=C(c2ccccc2)/C1=C\c1ccco1 100509856 XHXFSCFVKOCKSR-FMIVXFBMSA-N 239.230 2.624 30 40 BFEB C=CCn1c(C)nc(-c2ccc(F)cc2)c1N 100761325 HHWTYACQZJTFOW-UHFFFAOYSA-N 231.274 2.766 30 40 BFEB CC/C=C(\C)C(=O)[C@@H](C#N)c1nc(C)cs1 102941949 LNBPTHOICDAITA-VHODGJRUSA-N 234.324 2.984 30 40 BFEB CCc1n[nH]c(=S)n1N=C1CCCCC1 5686837 JMGDUXSNZYFSQL-UHFFFAOYSA-N 224.333 2.671 30 40 BFEB COc1ccc2nc(/N=C/N(C)C)sc2c1 12416864 BPQXVNLXHZYSPG-KPKJPENVSA-N 235.312 2.526 30 40 BFEB CCN(CC)c1ccc(CNCCC#N)cc1 19736881 VOAATGBAGYSFRA-UHFFFAOYSA-N 231.343 2.536 30 40 BFEB Cc1csc2ncnc(SCC#N)c12 40538538 DTMYSZSWKLPSLV-UHFFFAOYSA-N 221.310 2.615 30 40 BFEB C[C@@H]1CCCCN1C(=O)Nc1ccc(C#N)cc1 45026987 WJZQDVYZGNNODR-LLVKDONJSA-N 243.310 2.965 30 40 BFEB N#CCCCSCc1ccc(CO)cc1 76980150 ZYBIXRSKTOYSGS-UHFFFAOYSA-N 221.325 2.716 30 40 BFEB CCCCCCCCNC[C@@H](C)C(=O)OC 100408963 WLLRXFMVAQWOSY-GFCCVEGCSA-N 229.364 2.746 30 40 BFEB COC1(OC)C[C@@H]2C[C@@H]1c1c(C#N)cccc12 101048919 LLSHASVSKMSTAW-CMPLNLGQSA-N 229.279 2.522 30 40 BFEB C#C[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 409430550 GZAJGEZQGRLLNE-NSHDSACASA-N 235.327 2.657 30 40 BFEB C=C1C[C@@H]2CC[C@H](C1)N2c1cc(C)nc(C)n1 664575246 GCPFTAPPNMMLCM-BETUJISGSA-N 229.327 2.781 30 40 BFEB O=C1Nc2ccccc2/C1=N/c1ccccc1F 3011147 IOYBXOWARYWTAJ-UHFFFAOYSA-N 240.237 2.899 30 40 BFEB N#CCC(=O)c1cccc(OC(F)(F)F)c1 16159903 KPMFINNCXQBIPM-UHFFFAOYSA-N 229.157 2.682 30 40 BFEB CC[C@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] 32533551 PXVFGXBZJHLCPZ-QMMMGPOBSA-N 219.244 2.677 30 40 BFEB C[C@@H](C#N)Sc1nccn1-c1ccccc1 40051533 ZZCIDXSVOMKODK-JTQLQIEISA-N 229.308 2.876 30 40 BFEB CCC(=O)OCC#Cc1ccc(Cl)c(C)c1 95631688 ZVEHFKZFGUKENI-UHFFFAOYSA-N 236.698 2.953 30 40 BFEB Oc1ccc(/C=N\C2CCCCC2)cc1O 100252253 RJKRDUVENAOPLL-ZROIWOOFSA-N 219.284 2.849 30 40 BFEB O/N=C/c1cc(C(F)(F)F)ccc1F 100478836 JQMMUIVVZDLKHV-YIXHJXPBSA-N 207.126 2.653 30 40 BFEB [O-][N+](=Cc1ccccc1O)c1ccccc1 103753985 ORXOGPXBVINWDG-UHFFFAOYSA-N 213.236 2.653 30 40 BFEB CC(C)N1CC[C@@H](C=O)c2ccccc21 217550442 XJOPDFSBBDOCBZ-NSHDSACASA-N 203.285 2.588 30 40 BFEB O=C(NO)c1cccc2c(Cl)cccc12 226289622 CWXBCAQKOKJDQV-UHFFFAOYSA-N 221.643 2.612 30 40 BFEB COc1ccc(CN/C=C/C(=O)C(C)(C)C)cc1 409096955 MQQUAKHPYDHHTE-MDZDMXLPSA-N 247.338 2.914 30 40 BFEB O=C1c2ccccc2N[C@H](c2ccccc2)N1O 63750 QWDWDTZTHADBDU-ZDUSSCGKSA-N 240.262 2.642 30 40 BFEB CCOc1ccc([C@@H](C#N)C(C)=O)cc1OCC 14987952 GFTYJJTVGZKMHE-LBPRGKRZSA-N 247.294 2.680 30 40 BFEB CN[C@@H](/C(F)=N/Nc1ccccc1)C(F)(F)F 19830861 CWVJZRLWQQPHDJ-KNZYWQTRSA-N 249.211 2.532 30 40 BFEB C[C@@H](C1CC1)N(C)Cc1cccc(C#N)c1 35207513 KGZWSCYORIKQTL-NSHDSACASA-N 214.312 2.789 30 40 BFEB Cc1ccc(Nc2nccnc2C#N)cc1C 54379128 SDZXIECWZVTWRV-UHFFFAOYSA-N 224.267 2.709 30 40 BFEB Cc1cc(-c2cccc(C#N)c2)nc(Cl)n1 85788885 RSTNOZRVRXGYJD-UHFFFAOYSA-N 229.670 2.977 30 40 BFEB CCCCCCCCN(CCO)C(=O)OCC 100934491 PEDVYKIOXIRIMR-UHFFFAOYSA-N 245.363 2.798 30 40 BFEB C[C@H]1CCCC[C@H]1CN(CCC#N)CCC#N 152831225 UAFRMBRGAJEWPZ-KBPBESRZSA-N 233.359 2.942 30 40 BFEB CCCC/C=C(/C)[C@@](C)(C#N)C(=O)OC 1716508 OJHQJXCNQSAKQM-VPUINMBXSA-N 209.289 2.826 30 40 BFEB CCc1c(C)sc(NC(=O)C2CC2)c1C#N 2745271 KLJRYJQJLXISRS-UHFFFAOYSA-N 234.324 2.839 30 40 BFEB Cn1nccc1/C=C1\CCc2ccccc2C1=O 12879155 QHXJLUOLANGHTF-ZRDIBKRKSA-N 238.290 2.633 30 40 BFEB CSc1nsc2sc(C#N)c(N)c12 14951194 PIVWDEOVOGFPAN-UHFFFAOYSA-N 227.339 2.534 30 40 BFEB C=CCNC(=O)N[C@@H](C)c1cccc(Cl)c1 26518046 SUIXAPBVYLHLMG-VIFPVBQESA-N 238.718 2.886 30 40 BFEB C[C@@]12CC[C@@H](C/C1=N\O)[C@@]2(C)CCC(=O)O 72207274 JNIZOMYFBBJLFI-CXIPUQDLSA-N 225.288 2.508 30 40 BFEB N#Cc1ccc(O)c(-c2ccccc2O)c1 80053616 LMNWCJVTDSJNQX-UHFFFAOYSA-N 211.220 2.636 30 40 BFEB N#Cc1ccc(CN2C[C@H]3CCC[C@@H]3C2)cc1 148083338 OSGHVQXVYRCLLR-HUUCEWRRSA-N 226.323 2.790 30 40 BFEB N#Cc1cnc(OC2CCC2)c(Cl)c1 585651193 AVPWNTZFENRJHS-UHFFFAOYSA-N 208.648 2.538 30 40 BFEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1nccs1 664445175 SNPFVVLRGVWYAO-AOOOYVTPSA-N 249.339 2.858 30 40 BFEB O/N=C1\CCCC[C@@H]1NC1CCCCC1 5374583 JQAGCWCANHSWBR-DLGQCPFBSA-N 210.321 2.682 30 40 BFEB C[C@@H]1CC/C(=N/N(C)C)c2ccccc21 6437668 LOCXZNJWIVUBBA-YAWLZAOSSA-N 202.301 2.850 30 40 BFEB O=C(/C=C\c1ccc(O)cc1)c1ccccc1O 13483574 FGPJTMCJNPRZGF-YFHOEESVSA-N 240.258 2.994 30 40 BFEB C=CCNC(=O)c1occc1-c1ccccc1 27757381 MKUKMHKOSINQIL-UHFFFAOYSA-N 227.263 2.862 30 40 BFEB N#CCN1CCC[C@@H](c2ccccc2)CC1 66898237 PIYYNVXIFAWEAI-CQSZACIVSA-N 214.312 2.780 30 40 BFEB C[C@@H]1CN(CCC#N)[C@@H]1c1ccccc1 81574921 IHBGPAIJCXSXBC-YPMHNXCESA-N 200.285 2.593 30 40 BFEB C=CCN(C[C@H](O)c1ccc(F)cc1)C1CC1 96424434 KVVUZZWSZJXQDX-AWEZNQCLSA-N 235.302 2.510 30 40 BFEB C[C@@H](c1cccs1)[S@@](=O)CCCC#N 97164051 OPDMCEMIXFXMNA-LKFCYVNXSA-N 227.354 2.862 30 40 BFEB CC(=O)Nc1ccc(/N=C/c2ccco2)cc1 222618 BCLDTGAELIKRGR-NTEUORMPSA-N 228.251 2.989 30 40 BFEB O=C(O)c1ccc(/N=C\c2ccccc2O)cc1 4530083 CZNXQJHAMQNIHB-DHDCSXOGSA-N 241.246 2.841 30 40 BFEB O=[N+]([O-])c1ccc(/C=N\N=C\c2ccco2)cc1 5030339 ZGMLBZYISUQBET-NBPWYHHBSA-N 243.222 2.641 30 40 BFEB N#Cc1ccc(C(=O)NC2CCCCC2)cc1 15344709 FIJFRMGCAGJLAQ-UHFFFAOYSA-N 228.295 2.621 30 40 BFEB CC(=O)OCC[C@H](C)CC[C@@H]1OC1(C)C 34612663 MRGMCVIMBUZMEC-KOLCDFICSA-N 214.305 2.533 30 40 BFEB COc1cccc(C(=O)OCC2(CC#N)CC2)c1 76090675 PLYAIDGDPMNFCZ-UHFFFAOYSA-N 245.278 2.546 30 40 BFEB CO[C@]1(F)C(F)=C(F)C(F)(F)C1(F)F 95917645 KRJONBPWLXLTCB-RXMQYKEDSA-N 224.075 2.733 30 40 BFEB O=C(/C=C(/O)C(F)F)c1ccc(F)cc1 100496901 CCZPHYNMHWWRLG-WEVVVXLNSA-N 216.158 2.715 30 40 BFEB Cc1cccc(N2CCC(CC#N)CC2)n1 195566931 ADSQKNOQABWTJH-UHFFFAOYSA-N 215.300 2.520 30 40 BFEB CC(C)(C)OC(=O)N1CC[C@@H](C#N)C(C)(C)C1 217078321 BLHMMKLYSVDYKH-JTQLQIEISA-N 238.331 2.793 30 40 BFEB C=CCN1C(=O)CS/C1=N\c1ccc(C)cc1 28627933 BMEDRBOCYDEALJ-YPKPFQOOSA-N 246.335 2.744 30 40 BFEB CCOc1ccc([C@H](C#N)N(C)C)cc1OCC 31769127 YOWLINZASNDMHX-LBPRGKRZSA-N 248.326 2.610 30 40 BFEB C[C@@H](C=O)c1ccccc1Br 34452353 HTKTXCAKKKTRSF-ZETCQYMHSA-N 213.074 2.752 30 40 BFEB C=CCNC(=O)c1cc(SC)ccc1Cl 40458908 QRWDCRBYOZBSJB-UHFFFAOYSA-N 241.743 2.978 30 40 BFEB C=CCOc1cccc(NCc2ncc[nH]2)c1 78975417 XQWDDRXYEBCORV-UHFFFAOYSA-N 229.283 2.587 30 40 BFEB C[C@H](c1ccccn1)N(C)c1ccc(C#N)nc1 91475900 LOIKWFOWBOVXHD-LLVKDONJSA-N 238.294 2.546 30 40 BFEB CCN(CC)C(=O)Oc1cccc(F)c1C#N 95438647 CRQKILMLMOOFIM-UHFFFAOYSA-N 236.246 2.538 30 40 BFEB CC(C)N(C[C@H](O)c1ccc(C#N)cc1)C(C)C 96497138 PHXDRTHYHACPRA-HNNXBMFYSA-N 246.354 2.710 30 40 BFEB CC(=O)/C(Cl)=N/Nc1ccc(C)cc1 103538821 SZUGRZADBSQNJK-RAXLEYEMSA-N 210.664 2.548 30 40 BFEB CO[C@H]1CC[C@H](O)[C@H](/C=N\c2ccccc2)C1 104255374 QZAYBARGCWFJAC-FVHJIWSQSA-N 233.311 2.565 30 40 BFEB Cc1ccc(-n2cccc2C#N)cc1[N+](=O)[O-] 223739058 CPZKOCXXLZPEGK-UHFFFAOYSA-N 227.223 2.566 30 40 BFEB N#CC(=NNc1ccccc1)C(=O)c1ccccc1 252445436 BSUQPKCNPVQHEV-UHFFFAOYSA-N 249.273 2.861 30 40 BFEB N#C[C@H]1OC1(c1ccccc1)c1ccccc1 4280458 OCTGGDPNHOTSIG-CQSZACIVSA-N 221.259 2.853 30 40 BFEB C=CCCC(=O)Nc1cccc(F)c1F 60365187 QDVIXXHTYKCFAP-UHFFFAOYSA-N 211.211 2.870 30 40 BFEB C/N=C(/NC[C@H]1CC=CCC1)c1ccco1 71843660 ZCAKNECMQFTUJZ-NSHDSACASA-N 218.300 2.602 30 40 BFEB CCCCCC/C=C\C[C@@H](O)CC(=O)O 85845757 GZUALOWLHSCENG-SKVAFPRGSA-N 214.305 2.739 30 40 BFEB biogenic,in-vitro N#CCC(=O)c1c(O)ccc2ccccc12 199557835 VMUBOEZVIPMRHC-UHFFFAOYSA-N 211.220 2.642 30 40 BFEB CC[C@@H](C)n1nc(C2CCCC2)c(C#N)c1N 225832764 VKTTYKFKZKRQKH-SECBINFHSA-N 232.331 2.966 30 40 BFEB C=C(C)CNC(=O)[C@@H]1CC(C)=C[C@@H](C)[C@H]1C 4801801 PJHLTAMDZJWCNG-JHJVBQTASA-N 221.344 2.917 30 40 BFEB Cc1nc2ccccc2n1[C@H]1CCC/C1=N\O 5337950 MXUDEFDANMBUBS-JMRXEAOASA-N 229.283 2.900 30 40 BFEB Nc1ccccc1S[C@H]1/C(=N\O)[C@H]2CC[C@@H]1C2 100965177 PISNIZCRWOGPJQ-ZBCAFEPASA-N 248.351 2.990 30 40 BFEB N#Cc1cn(-c2ccccc2Cl)cc1N 242575114 NSMXXHJLIOHSQP-UHFFFAOYSA-N 217.659 2.585 30 40 BFEB COc1c(Br)cc(F)c(F)c1C#N 258438744 UFWAKQYQTDZLGC-UHFFFAOYSA-N 248.026 2.608 30 40 BFEB CCCCCCCCn1cnc(C)cc1=O 762202548 RJXHKVLXZQJRQA-UHFFFAOYSA-N 222.332 2.912 30 40 BFEB C#CCOC(=O)Nc1nc2ccc(C)cc2s1 1573766 FIBJQTQXLROTJY-UHFFFAOYSA-N 246.291 2.786 30 40 BFEB C=C(c1ccccc1)[C@]1(O)CCCC[C@H]1N(C)C 1588617 MLNPNKQUANSWIW-HZPDHXFCSA-N 245.366 2.935 30 40 BFEB Oc1ccccc1/C=N/N1CCCCCC1 1627398 CEMKEHGRUBOXAS-SDNWHVSQSA-N 218.300 2.602 30 40 BFEB Cc1ccc(/N=C2/NC(=O)[C@@H](C)S2)c(C)c1 8410621 FAIWJUQEJROGMG-SECBINFHSA-N 234.324 2.542 30 40 BFEB COc1ccc(-c2ccc(C#N)o2)cc1[N+](=O)[O-] 20134622 PKORGEAOMHLDEE-UHFFFAOYSA-N 244.206 2.735 30 40 BFEB CC(C)(C)c1ccc(CNC(=O)CC#N)cc1 57518775 PXJCBYKFRFTMIN-UHFFFAOYSA-N 230.311 2.514 30 40 BFEB CCO[C@H](C)OCC#Cc1ccc(N(C)C)cc1 95632995 HGPDTXKMRVLGSS-ZDUSSCGKSA-N 247.338 2.503 30 40 BFEB Cn1ccc2c(N)c3ccccc3c(C#N)c21 1393119 MSKILRGUFVNVGR-UHFFFAOYSA-N 221.263 2.785 30 40 BFEB CCCCC[C@H](C)[C@H](C#N)C(=O)OCC 1600458 BDUQYHZTGKUVOF-QWRGUYRKSA-N 211.305 2.906 30 40 BFEB CO/N=C/CC(=O)c1ccc(Cl)cc1 5209433 JJBBTYQQKQVQCC-KPKJPENVSA-N 211.648 2.545 30 40 BFEB Cc1[nH]c2ccccc2c1/C(CCC(=O)O)=N/O 5378260 XKGDWOGMHJTMRC-RVDMUPIBSA-N 246.266 2.519 30 40 BFEB O/N=C(/Cc1ccccn1)c1ccccc1 5804504 WRADUEDMKDJYKA-SQFISAMPSA-N 212.252 2.503 30 40 BFEB C[C@@H]1CC/C(=N\[N+](C)(C)C)c2ccccc21 18043589 YITGCHRPMDLEQI-BFWGRDPESA-N 217.336 2.994 30 40 BFEB C=CCNC(=O)[C@@H](CC)Oc1cccc(C)c1C 30758264 RKKPKUMCPPSNPJ-CYBMUJFWSA-N 247.338 2.763 30 40 BFEB CCOC(=O)[C@@H]1O[C@]12C[C@@H](C)CC(C)(C)C2 31361428 RMWIEEYTJKQJFF-KWBADKCTSA-N 226.316 2.533 30 40 BFEB CCOC(=O)C[C@@H](C#N)c1ccccc1Cl 41279369 JOGOPVIZFBMMSY-VIFPVBQESA-N 237.686 2.900 30 40 BFEB Cc1cc(C#N)nc(NC2CCCCCC2)n1 49657733 PKHSTYLQNXXIBV-UHFFFAOYSA-N 230.315 2.791 30 40 BFEB C/C(=N/N1CCOCC1)c1cc(C)c(C)cc1C 58800462 ZGGZCNNNYURRAF-PEZBUJJGSA-N 246.354 2.668 30 40 BFEB C#Cc1cccc(NC(=O)/C(C)=C/CC)c1 88546559 DRQXULFDJKWUCX-YRNVUSSQSA-N 213.280 2.963 30 40 BFEB CCc1ccc(C2(C#N)CC(OC)(OC)C2)cc1 96509069 QIKQFOAIJJJBKE-UHFFFAOYSA-N 245.322 2.793 30 40 BFEB Cc1c(/N=C/c2cccn2C)cccc1C(=O)O 409108485 UPLDYWFFWWJNHW-OQLLNIDSSA-N 242.278 2.782 30 40 BFEB CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@H]2C#N 575440904 WINXSOQPOOPJRB-VWYCJHECSA-N 236.315 2.546 30 40 BFEB CC(=O)C[C@](F)(OC(F)(F)F)C(F)(F)F 2530915 HBCCWHHGCKXNAB-BYPYZUCNSA-N 242.090 2.730 30 40 BFEB N#Cc1cccnc1NCCc1ccc(F)cc1 19425491 QYXLGLGBEUEXQD-UHFFFAOYSA-N 241.269 2.747 30 40 BFEB CC(C)c1nn(Cc2ccccc2)c(N)c1C#N 225838397 ZIQFPMZSCZJMJI-UHFFFAOYSA-N 240.310 2.509 30 40 BFEB O=C(/C=C/c1ccco1)C1(O)CCCCC1 33286 MSQCHULAIIMLTC-VOTSOKGWSA-N 220.268 2.557 30 40 BFEB Cc1cccc2cc(/C=N/C(C)C)c(=O)[nH]c12 5818537 HCINZBDBDBOHPH-OVCLIPMQSA-N 228.295 2.664 30 40 BFEB O=C(/C=C\c1cccnc1)c1ccccc1O 13154312 CRWNZUBUBIULHB-FPLPWBNLSA-N 225.247 2.683 30 40 BFEB CC(C)(C)[S@](=O)/N=C/c1ccccc1 38252062 KHEXSXPVKHWNOZ-BRADTZPFSA-N 209.314 2.568 30 40 BFEB N#CCSCCCSc1ccncc1 89884987 LEOBNNKIUFSUDQ-UHFFFAOYSA-N 224.354 2.821 30 40 BFEB N#Cc1c(Cl)nc([C@H]2CCCO2)c2c1CCC2 96509702 DHGOTVHAAADQEC-LLVKDONJSA-N 248.713 2.947 30 40 BFEB Cc1ccc(Cl)cc1NC(=O)C1(C#N)CC1 156835234 VDAFPHRLOOSVDP-UHFFFAOYSA-N 234.686 2.891 30 40 BFEB N#Cc1ccc(NCc2ccc(Cl)cc2)nn1 259601033 CZWPXLNDAGIXTF-UHFFFAOYSA-N 244.685 2.614 30 40 BFEB C#CCOC(=O)Cc1cccc2ccccc12 1689232 WCIUBICGXUKIJP-UHFFFAOYSA-N 224.259 2.559 30 40 BFEB COc1ccc(/C=N/NC2=NCCCCC2)cc1 3213923 WDADAMAONNDWKR-LFIBNONCSA-N 245.326 2.591 30 40 BFEB C[C@H](C1CC1)N(C)C(=O)Nc1ccc(C#N)cc1 12906898 LWTWZYDRVZCXTM-SNVBAGLBSA-N 243.310 2.820 30 40 BFEB CN(c1nc2c(cc1C#N)CCC2)C1CCCC1 43406429 SELBWJXRFYWRFO-UHFFFAOYSA-N 241.338 2.821 30 40 BFEB N#Cc1ccc(C2(N)CCCCC2)cc1 75601699 MKQLHRLZCKXVRV-UHFFFAOYSA-N 200.285 2.676 30 40 BFEB Cc1cc(C#N)c(C)n1-c1ccccc1C(=O)O 219894430 HISODBFXDGZKSL-UHFFFAOYSA-N 240.262 2.664 30 40 BFEB CCOc1cccc(C#N)c1Br 225810272 SKMFPFYZPNAFNE-UHFFFAOYSA-N 226.073 2.719 30 40 BFEB N#Cc1ccc(CN[C@@H]2CCC[C@@H]2F)cc1 335983682 UTKOPKMSLPRDKL-QWHCGFSZSA-N 218.275 2.538 30 40 BFEB Cc1ccc(C(=O)/C=C/c2cccnc2)c(O)c1 4172213 QBKXAQUHFBHJQE-FNORWQNLSA-N 239.274 2.992 30 40 BFEB COc1cc(C#N)ccc1Oc1ccc(N)cc1 19845720 OBHXQYWPLSEXJX-UHFFFAOYSA-N 240.262 2.941 30 40 BFEB in-vitro C=CCOc1cccc(NC(=O)NCCC)c1 48955437 NFWYRLPXLNYWDB-UHFFFAOYSA-N 234.299 2.783 30 40 BFEB CC1(C)C[C@H](O[C@@H]2CCCCO2)[C@H]2O[C@]2(C)C1 104208914 FZQIFZSZUOJRQD-FMCLSXCISA-N 240.343 2.876 30 40 BFEB C=CCSc1nc(N)c(C#N)c(CCCC)n1 225892800 WERYOWAALPBATJ-UHFFFAOYSA-N 248.355 2.551 30 40 BFEB N#CCC1(O)c2ccccc2-c2ccccc21 1680207 HVYXKITXQZKGQP-UHFFFAOYSA-N 221.259 2.817 30 40 BFEB C=CCNC(=O)COc1cc(C)ccc1C(C)C 5542657 OPPCEWGMIKDKGM-UHFFFAOYSA-N 247.338 2.799 30 40 BFEB O=C(/C=C/[n+]1ccccc1)c1ccc(Cl)cc1 5583110 VDYXWYZAFCNECH-DHZHZOJOSA-N 244.701 2.981 30 40 BFEB N#CCc1coc(-c2ccc(F)cc2)n1 15589949 WAUSXDAVLUXHPM-UHFFFAOYSA-N 202.188 2.547 30 40 BFEB in-vitro CCCCCCCO[C@@H](C)C(=O)OC 100938963 VGKWQPNLWUFORC-JTQLQIEISA-N 202.294 2.535 30 40 BFEB O/N=C1/[C@H]2CC[C@@H](C2)[C@H]1Nc1ccccc1F 100964891 HNZBAOWVOAPRDX-NZELQZJGSA-N 234.274 2.866 30 40 BFEB CC1=NC(=N)S/C1=N\Nc1cccc(F)c1 111910334 FMODEHWJMJNGLK-LWKLEPQFSA-N 236.275 2.694 30 40 BFEB Nc1ccc(C(=O)/C=C/c2ccccn2)cc1 4352968 IQLLDNFSIXBVLW-CMDGGOBGSA-N 224.263 2.560 30 40 BFEB CC(C)(O)CCCC1=CCC[C@H](C=O)C1 5356083 OLXLPKQCGWYRFQ-LBPRGKRZSA-N 210.317 2.853 30 40 BFEB O/N=C1\Cc2ccccc2[C@H]1N1CCCCC1 5776317 JMUXAWIENGARML-SXWSKBOKSA-N 230.311 2.600 30 40 BFEB CC(C)c1cccc2cc(C#N)c(=O)[nH]c12 11956421 QKVDZDJINKVNQE-UHFFFAOYSA-N 212.252 2.523 30 40 BFEB CCOC(=O)[C@@H](C#N)C1(C)CCCCC1 32175696 ROHCCJIABRKISQ-SNVBAGLBSA-N 209.289 2.660 30 40 BFEB in-vitro CN(Cc1ccc(F)cc1)c1ccc(C#N)cn1 40480087 KHHVAHMLOCDMGE-UHFFFAOYSA-N 241.269 2.729 30 40 BFEB N#Cc1ccc(NCCc2cccc(F)c2)cn1 75105299 WQZFBWVWRLXUDK-UHFFFAOYSA-N 241.269 2.747 30 40 BFEB C=C(C)CNC(=O)NC[C@@H](C)c1cccs1 156534601 FHAQDBMGLDDDTG-SNVBAGLBSA-N 238.356 2.727 30 40 BFEB O=C(/C=C/NCc1ccccc1)c1ccco1 198077417 AHIYVEQDURVVON-CMDGGOBGSA-N 227.263 2.766 30 40 BFEB C/N=C1/S/C(=C\c2ccccc2C)C(=O)N1C 408857239 NKTOKPQDUCFLIK-KBABRGLLSA-N 246.335 2.527 30 40 BFEB C=CCN(Cc1ccccc1)[C@H]1CCC[C@@H]1O 1547139843 YLSYXVMTOUIBJH-GJZGRUSLSA-N 231.339 2.588 30 40 BFEB O/N=C1/CC[C@@H]2CN(C3CCCCC3)C[C@@H]2C1 366982 LTSLFNBPLYFMAG-PNZORISLSA-N 236.359 2.881 30 40 BFEB N#CCNC(=O)c1ccc(-c2ccccc2)cc1 1794293 CLGSMLGISGSWQF-UHFFFAOYSA-N 236.274 2.607 30 40 BFEB CC[C@H]1CN(Cc2ccccc2)C[C@@H]1C#N 4203267 BIYUBPAZRFIARZ-KBPBESRZSA-N 214.312 2.668 30 40 BFEB N#Cc1cc(-c2cccnc2)cnc1Cl 47216171 QVKJHDGVJXPUEX-UHFFFAOYSA-N 215.643 2.669 30 40 BFEB CCC[C@@H](C#N)NC(=O)c1cccc(OCC)c1 71184983 RCPYAYGRQJNIGN-LBPRGKRZSA-N 246.310 2.507 30 40 BFEB CCO/C(C)=N/c1nc2ccccc2[nH]1 100128998 SJJJIKFSGZKRMD-XYOKQWHBSA-N 203.245 2.649 30 40 BFEB CCCCC[C@@H](C)[C@H](C#N)C(=O)OCC 1600457 BDUQYHZTGKUVOF-MNOVXSKESA-N 211.305 2.906 30 40 BFEB CCCCOC(=O)[C@]1(C)O[C@H]1c1ccccc1 1734143 BUSAPNYJIMUSIH-GXTWGEPZSA-N 234.295 2.860 30 40 BFEB COc1ccc2nc(Cl)c(/C=N\O)cc2c1 3369593 OEUJWQZDVAFKIL-MLPAPPSSSA-N 236.658 2.705 30 40 BFEB CC1(C)C[C@H](Nc2ccccc2)[C@H](C#N)C1=O 5607478 JEQBRSULBAZRLJ-RYUDHWBXSA-N 228.295 2.606 30 40 BFEB CN(C)/C=N/C(=S)c1ccc(Cl)cc1 12495921 AIFFWJRYAQSDQQ-KPKJPENVSA-N 226.732 2.605 30 40 BFEB Oc1ccc(/C=N/Nc2ccccc2)cc1O 26282146 CTVIXLXWQHPRIC-NTEUORMPSA-N 228.251 2.544 30 40 BFEB N#CCC(=O)c1cc(F)cc(Br)c1 37034414 ZQJCOZSYGXQSER-UHFFFAOYSA-N 242.047 2.685 30 40 BFEB CN(CCCC#N)CCc1ccc(F)cc1 55023571 YIPLGJDCPRGEMO-UHFFFAOYSA-N 220.291 2.604 30 40 BFEB Cc1cc(F)ccc1C#C[C@@H](O)C(C)C 95632332 ZQRKTEPBKGAWOB-CYBMUJFWSA-N 206.260 2.503 30 40 BFEB N#Cc1cc(Br)c(Cl)o1 96509867 WPEOMSCQIBUTTF-UHFFFAOYSA-N 206.426 2.567 30 40 BFEB C[C@@H]1CC[C@@H]1COc1cccc(C#N)c1 96526445 VZDSLOFYZRUPDF-ZYHUDNBSSA-N 201.269 2.983 30 40 BFEB C[Si](C)(C)C#Cc1csc(CF)n1 196119347 MPSLAORBOHTBIY-UHFFFAOYSA-N 213.353 2.842 30 40 BFEB C[C@H](C#N)Sc1nnc(-c2ccc(F)cc2)o1 4548531 IHJQHEMQYGCENK-SSDOTTSWSA-N 249.270 2.880 30 40 BFEB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CC#N 13405396 KCZNYQIXVJEFPW-WOPDTQHZSA-N 223.316 2.904 30 40 BFEB biogenic N#Cc1ccc(OCc2cccnc2)cc1 19441770 JMHYEHUWQRQKLS-UHFFFAOYSA-N 210.236 2.532 30 40 BFEB C#Cc1cccc(NC(=O)N(C)[C@H](C)C2CC2)c1 40526889 DSHLPZFZVPCTDC-LLVKDONJSA-N 242.322 2.930 30 40 BFEB COC1(OC)C[C@@H]2C[C@H]1c1c(C#N)cccc12 45071088 LLSHASVSKMSTAW-JQWIXIFHSA-N 229.279 2.522 30 40 BFEB COC(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 71624713 WBXLYMPVQDURMA-LURJTMIESA-N 244.077 2.774 30 40 BFEB CO[C@H](C#N)c1ccccc1Br 85090968 MGHRILBQDSZJKO-SECBINFHSA-N 226.073 2.660 30 40 BFEB COC(=O)[C@]1(C)O[C@]1(C)c1ccc(Cl)cc1 85657799 NHENVTFPIUKJRS-NEPJUHHUSA-N 240.686 2.517 30 40 BFEB N#Cc1cc(F)ccc1Cn1ccc(C2CC2)n1 89768452 PPECYYGOXXQQGM-UHFFFAOYSA-N 241.269 2.820 30 40 BFEB CNc1oc([C@@H]2C[C@H]2c2ccccc2)nc1C#N 96346148 GGNLZMFFWPYLHL-WDEREUQCSA-N 239.278 2.859 30 40 BFEB O/N=C1\[C@H]2CC[C@@H](C2)[C@H]1Sc1ccccn1 104806282 DIDZHGDTOINNTQ-SMVQBSGVSA-N 234.324 2.802 30 40 BFEB CC/N=C(\NCC)NCc1ccc(C2CC2)cc1 190471932 YQFQKLOIKRAUPT-UHFFFAOYSA-N 245.370 2.639 30 40 BFEB CCOC(=O)c1ccc(-c2ccc(C#N)cc2)o1 215213730 MJEIEKUEKCZSLX-UHFFFAOYSA-N 241.246 2.995 30 40 BFEB N#Cc1ccnc(C(F)(F)F)c1Cl 307250663 MEJBFASGCPYXSO-UHFFFAOYSA-N 206.554 2.625 30 40 BFEB O=C1/C(=C/c2ccco2)Oc2ccccc21 1687459 YHQBGGPEHALTKN-WQLSENKSSA-N 212.204 2.896 30 40 BFEB CC1=NN(CCC#N)[C@@H](c2ccccc2)C1 4125490 NMCVESWSJWYLMI-CYBMUJFWSA-N 213.284 2.723 30 40 BFEB Cc1c(/C=C/C(=O)c2cccs2)cnn1C 4651232 CASRTAOYDNMUOI-AATRIKPKSA-N 232.308 2.686 30 40 BFEB aggregator Cc1ncccc1OCc1cccc(C#N)c1 96007470 UVWOBLWYDSMZBC-UHFFFAOYSA-N 224.263 2.841 30 40 BFEB CCCCCCCNCc1cnn(CC)c1 256050950 HDSUQGPSNNEBGX-UHFFFAOYSA-N 223.364 2.963 30 40 BFEB N#C[C@@]1(C(=O)c2ccccc2)C[C@H]1C(F)(F)F 1857793714 RORYYELCLNOLHG-KOLCDFICSA-N 239.196 2.961 30 40 BFEB O=C1CCCC(=O)C1=Cc1c[nH]c2ccccc12 339660 FHZSANGAJBLBIP-UHFFFAOYSA-N 239.274 2.873 30 40 BFEB Oc1ccc(/C=N/N=C/c2ccccc2O)cc1 4109598 YJLNMSPQOOAHFU-KAVGSWPWSA-N 240.262 2.551 30 40 BFEB Cc1cc(NC2=CC(=O)C[C@@H](C(C)C)C2)no1 5212360 UAMVJVDKAWBCCN-JTQLQIEISA-N 234.299 2.914 30 40 BFEB N#Cc1ccccc1OCC(F)(F)C(F)F 20518149 WCTQIZWOBYUPDM-UHFFFAOYSA-N 233.164 2.837 30 40 BFEB Cc1ccc(C#C[C@](C)(O)c2ccccc2)cn1 22339803 MHUAQMHTKLWJSD-INIZCTEOSA-N 237.302 2.649 30 40 BFEB N#Cc1ccc(S)c(C(F)(F)F)c1 34173804 SZUHXDMIWJINCW-UHFFFAOYSA-N 203.188 2.866 30 40 BFEB C#CCCCCC(=O)Nc1ncccc1Cl 97164929 NZWZHUQFBGKTTP-UHFFFAOYSA-N 236.702 2.867 30 40 BFEB N#Cc1ccc(NC(=O)[C@H]2CC=CCC2)cc1 13017580 KJTLRJAJNJWRCG-LBPRGKRZSA-N 226.279 2.853 30 40 BFEB CC(=O)OCC[C@@H](C)CC[C@H]1OC1(C)C 34612656 MRGMCVIMBUZMEC-GXSJLCMTSA-N 214.305 2.533 30 40 BFEB COc1ccc(/C=N/c2c(C)n[nH]c2C)cc1 35933165 LHTWMLQHNLKLCC-RIYZIHGNSA-N 229.283 2.786 30 40 BFEB FC(F)C(F)(F)COCC(F)(F)C(F)F 82033377 JCSRVIQQOQNBKC-UHFFFAOYSA-N 246.097 2.804 30 40 BFEB CCCCCCCCC[C@@]1(C)NC(=O)NC1=O 100301150 UUPOKCDCMNTJLL-CYBMUJFWSA-N 240.347 2.725 30 40 BFEB N#Cc1ccc(/C=C/c2ccncn2)cc1 195547708 OUTPENPLPOARAF-AATRIKPKSA-N 207.236 2.519 30 40 BFEB C=CCSc1nc(C)cc(C)c1C#N 2566362 ZVFKNYGODAVOPX-UHFFFAOYSA-N 204.298 2.848 30 40 BFEB CC/N=C(\NCC)NCc1cc2ccccc2o1 66244212 DWDSKLRWPJIQTE-UHFFFAOYSA-N 245.326 2.508 30 40 BFEB N#CCN1CCCC[C@H]1Cc1ccccc1 69451325 QMQFONVRSKNHHN-AWEZNQCLSA-N 214.312 2.607 30 40 BFEB N#CCC(=O)c1sccc1Br 82613983 YLRAQJRXLVYENM-UHFFFAOYSA-N 230.086 2.607 30 40 BFEB CCCCC[C@H](O)C#C[C@H](O)CCCCC 12419693 GQHFRBUSENSDPM-OKILXGFUSA-N 226.360 2.872 30 40 BFEB N#Cc1ccsc1NC(=O)CCc1ccco1 40160142 BGIIALGTVDOPAB-UHFFFAOYSA-N 246.291 2.784 30 40 BFEB N#Cc1ccccc1-n1ccc(C2CC2)n1 52884198 YYAWTQVNFSZBGK-UHFFFAOYSA-N 209.252 2.621 30 40 BFEB CCn1c(CC#N)nc2cc(C)c(C)cc21 76561686 TZUAOVQCWFBHFX-UHFFFAOYSA-N 213.284 2.739 30 40 BFEB CCC(=O)OCC#Cc1ccc(Cl)cc1C 95633432 WMSJYWVGIYBODG-UHFFFAOYSA-N 236.698 2.953 30 40 BFEB CCC[C@H](NCC#N)c1ccc(F)cc1F 96492301 JCPULABETPVDQW-LBPRGKRZSA-N 224.254 2.919 30 40 BFEB CCCCCCCC[C@H]1C[C@@H]1C(=O)NO 98007382 WRPQMDNDRIIPNA-QWRGUYRKSA-N 213.321 2.879 30 40 BFEB O=C1CC[C@H](c2ccccc2)C/C1=C\O 100717881 XOLRQTFVYQIFJV-UTEVDWOZSA-N 202.253 2.965 30 40 BFEB CCOc1ccc(-n2cccc2C#N)cc1 223737025 DBABYFBAJFGNMF-UHFFFAOYSA-N 212.252 2.748 30 40 BFEB C/C=C/C(=O)c1cc(F)c(OC)cc1F 308780758 CMPAQPPSYWOLBE-ONEGZZNKSA-N 212.195 2.732 30 40 BFEB O=C(/C=C/c1ccccc1)[C@]12CCC[C@H]1O2 163751 NZXHLNNSFKUNFN-SJXIGLKTSA-N 214.264 2.590 30 40 BFEB CC1(C)CC(=O)[C@]2(C)CCC(=O)C=C2C1 1570006 UQZLLFANGCIPNO-CYBMUJFWSA-N 206.285 2.671 30 40 BFEB CC(=O)/C=C/c1cc(Br)ccc1O 1803126 MPEHLZAFKMYOTA-NSCUHMNNSA-N 241.084 2.757 30 40 BFEB CC[C@@H]1S/C(=N\c2ccccc2C)NC1=O 11638028 CWOSTWNWVJUZID-JTQLQIEISA-N 234.324 2.624 30 40 BFEB in-vivo O=[N+]([O-])c1ccc(N/N=C2/C[C@H]3CC=C[C@H]23)cc1 13133324 UMWAQZYZZVEAOD-XZEJSEMASA-N 243.266 2.959 30 40 BFEB Cc1n[nH]c(C)c1CNc1cccc(F)c1C#N 36864877 QZAHJCFIBTZHGW-UHFFFAOYSA-N 244.273 2.649 30 40 BFEB C[C@H](C#N)CN(C)C(=O)c1ccc(Cl)cc1 48087181 FJEJPQVFSXOOLB-SECBINFHSA-N 236.702 2.572 30 40 BFEB Cc1cc(C#N)c(C#N)cc1Br 1772769051 PGQJDSJPIHNCOC-UHFFFAOYSA-N 221.057 2.501 30 40 BFEB C/C=C(/CC)[C@@](C#N)(CC)C(=O)OCC 1600375 BNJALDIQJCOAEB-JSJZCHLLSA-N 209.289 2.826 30 40 BFEB C=CCNC(=O)CCCOc1cccc(C)c1C 1786369 OXKRAJWFZABSCG-UHFFFAOYSA-N 247.338 2.765 30 40 BFEB N#CCCCC(=O)c1ccc(Cl)nc1 2392726 GWNMICHZVVHYDR-UHFFFAOYSA-N 208.648 2.612 30 40 BFEB CCCCCCCCCC(CO)CO 3163369 UFCBBNJJKOMVCZ-UHFFFAOYSA-N 202.338 2.728 30 40 BFEB Oc1ccccc1/C=N/Nc1ccccc1O 5257641 YESOBYRBBGNSJT-NTEUORMPSA-N 228.251 2.544 30 40 BFEB CN1CCCC[C@](C#N)(c2ccccc2)CC1 5699644 NAIUDPFISJVNOL-HNNXBMFYSA-N 228.339 2.954 30 40 BFEB Clc1ccccc1CN/N=C/c1ccc[nH]1 8811528 ZFDXKVWUERDBOC-CXUHLZMHSA-N 233.702 2.792 30 40 BFEB C=CCNC(=O)c1ccc2[nH]c(C)c(C)c2c1 9578142 JWXLTWYJBKTUGK-UHFFFAOYSA-N 228.295 2.701 30 40 BFEB Cc1ccc(OCC#N)c(Br)c1 11834419 JEEQSGIKVPOAMO-UHFFFAOYSA-N 226.073 2.660 30 40 BFEB N#Cc1cc(Cc2ccccc2)sc1N 27843114 JDJHEJKTLUMKAE-UHFFFAOYSA-N 214.293 2.793 30 40 BFEB N#Cc1cc(-c2ccc(Cl)cc2)on1 32010409 BYSUZTAXUYYSEV-UHFFFAOYSA-N 204.616 2.867 30 40 BFEB CC[C@](C)(O)C#Cc1cc(F)cc(Cl)c1 95633308 DOFYSGGXZHKCIN-LBPRGKRZSA-N 226.678 2.992 30 40 BFEB O/N=C1\[C@H]2CCC[C@H]1[C@@]1(O)CCCC[C@H]1C2 100748892 PEDZZUSWXHDLGV-LJSLWOQOSA-N 223.316 2.558 30 40 BFEB biogenic C=CCOc1c(C)cc(Cl)cc1C(=O)O 225278713 AWUOJTIALASGBL-UHFFFAOYSA-N 226.659 2.911 30 40 BFEB CC(C)Sc1nc(N)c(C#N)c(C(C)C)n1 225892195 USXYZXPUEGFTAN-UHFFFAOYSA-N 236.344 2.554 30 40 BFEB N#CCOc1c(Cl)cc(C=O)cc1Cl 408857104 MVZJGEBEJGAPEY-UHFFFAOYSA-N 230.050 2.708 30 40 BFEB N#CC1(NNC2(C#N)CCCCC2)CCCCC1 19166774 NRQNLHHLEINYBS-UHFFFAOYSA-N 246.358 2.534 30 40 BFEB COc1ccc(Cl)cc1C1(C#N)CC1 34940491 WGAFZNHDXNWIFK-UHFFFAOYSA-N 207.660 2.904 30 40 BFEB in-vitro N#Cc1ccc(OCc2ccccn2)c(F)c1 62613593 VDYMDEFBFABMOG-UHFFFAOYSA-N 228.226 2.671 30 40 BFEB N#C[C@H](CO)Cc1ccc(Cl)cc1Cl 63064085 FXWCQQUIMLZRFS-SSDOTTSWSA-N 230.094 2.668 30 40 BFEB CCn1ccc(/C=C/C(=O)c2ccccc2O)n1 71784712 JMSNRFPLAGLKFH-BQYQJAHWSA-N 242.278 2.505 30 40 BFEB CC(C)(C)OC(=O)NC1CCC(S)CC1 79437001 DYBMNZSSIAKCBG-UHFFFAOYSA-N 231.361 2.752 30 40 BFEB in-vitro CCO/C=C/C(=O)c1ccc(F)cc1F 82545883 SFONVDQSJMGJIV-AATRIKPKSA-N 212.195 2.698 30 40 BFEB Cc1ccc(Br)cc1/C=N/O 256027983 MUEJPYCNSGMBGT-BJMVGYQFSA-N 214.062 2.566 30 40 BFEB Cc1cc(C)c(C#N)c(Oc2cccc(N)c2)n1 54466 MHFLWNASPCNEBF-UHFFFAOYSA-N 239.278 2.945 30 40 BFEB C[C@H]1CC[C@](C)(C(=O)C[N+](C)(C)C)C1(C)C 4266801 OVSUYKFDMHUGIX-SMDDNHRTSA-N 226.384 2.724 30 40 BFEB C[C@@H]1CC[C@H](O)C2=CC(=O)[C@@H]3[C@@H](C3(C)C)[C@]21C 14443032 KDPNSOLPHGZUAY-WHOUDRSTSA-N 234.339 2.565 30 40 BFEB biogenic [N-]=[N+]=Nc1c(F)c(F)c(CN)c(F)c1F 14982176 TZYXVHFQJKFKQT-UHFFFAOYSA-N 220.129 2.644 30 40 BFEB C=C(C)CN(CC)C[C@H](O)c1ccccc1 44866725 DJWCXNOSKAOFRV-AWEZNQCLSA-N 219.328 2.618 30 40 BFEB CCCCOC(=O)[C@@H]1O[C@]1(C)c1ccc(C)cc1 1733584 NCXFPBKPSJBSBJ-DZGCQCFKSA-N 248.322 2.952 30 40 BFEB O[C@@]1(C#Cc2ccccc2)Cc2cccc(F)c21 3848056 YZJKRVNAWTYIJU-INIZCTEOSA-N 238.261 2.621 30 40 BFEB biogenic C#CCNC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 7538672 GUUJCCYXIPFURY-HFDVOGEKSA-N 217.356 2.958 30 40 BFEB O=C(O)c1ccc(/C=N/Nc2ccccc2)cc1 13351317 HOISUZKVWWPRAA-XNTDXEJSSA-N 240.262 2.831 30 40 BFEB N#CCCN1CCc2c(Cl)cccc2C1 98012709 ZRUPIVYDQZXWIB-UHFFFAOYSA-N 220.703 2.612 30 40 BFEB C=CC[C@@H](CC)NC(=O)NCc1cncc(C)c1 252478624 AQMFCGXDJVVZDZ-CYBMUJFWSA-N 247.342 2.544 30 40 BFEB N#Cc1ccc(CN[C@@H]2CCC[C@H]2F)cc1 585386176 UTKOPKMSLPRDKL-CHWSQXEVSA-N 218.275 2.538 30 40 BFEB NN=C1C(Cl)=C(Cl)C(Cl)=C1Cl 1715123 WFSIMDXRURSONJ-UHFFFAOYSA-N 231.897 2.693 30 40 BFEB C=C(C)CCOc1ccc(C=O)cc1OC 3222705 NISWWLODFKKTLX-UHFFFAOYSA-N 220.268 2.853 30 40 BFEB O=C1C2=C(C(=O)c3ccccc31)[C@H]1C=C[C@@H]2CC1 12402971 MDJZPMOKQTXXEH-AOOOYVTPSA-N 236.270 2.958 30 40 BFEB COC(=O)c1cccc(/N=C\c2cccn2C)c1 409105685 KDBJSZCTFXGTHC-GDNBJRDFSA-N 242.278 2.562 30 40 BFEB N#Cc1sc2ccccc2c1N1CCOCC1 1382798 QCAIXHYYIWPPOL-UHFFFAOYSA-N 244.319 2.610 30 40 BFEB Cc1ccc(C(=O)Nc2sccc2C#N)cn1 23441962 IUMQKHJFHJDISY-UHFFFAOYSA-N 243.291 2.576 30 40 BFEB CN=C(NC1CCCCC1)NC1CCCCC1 26487606 LMYCTHOCZIDLPC-UHFFFAOYSA-N 237.391 2.817 30 40 BFEB C=C(C)CN(CC)C(=O)c1c[nH]c2ncccc12 67793668 HMNMWEKXLGXUKM-UHFFFAOYSA-N 243.310 2.601 30 40 BFEB C=CC[C@H](C)[C@@H](C)Nc1cnn(C)c1C 95991772 OXWNHTNHUVBLJB-VHSXEESVSA-N 207.321 2.741 30 40 BFEB C=CCN(CC=C)C(=O)c1ccc(F)cc1 29754 CKSFOEXDZKIFLP-UHFFFAOYSA-N 219.259 2.640 30 40 BFEB C[C@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)cc1 3429848 UQIUFTWAZPUOHI-SMDDNHRTSA-N 242.322 2.867 30 40 BFEB CC[C@](C#N)(C(=O)OC)/C(C)=C\C(C)C 6002399 XLCORFACLFITSK-MQGYJPLLSA-N 209.289 2.682 30 40 BFEB Cc1ccoc1C(=O)OCc1cccc(C#N)c1 30967129 OERNTXIXGOWICJ-UHFFFAOYSA-N 241.246 2.817 30 40 BFEB N#CC1(COc2ccc(F)cc2)CCOCC1 85390531 KCRBTBWSGUPGDC-UHFFFAOYSA-N 235.258 2.525 30 40 BFEB C=C(Cl)Cc1ccc(OC(C)=O)cc1 85650716 KFDKOGVYQPDVCL-UHFFFAOYSA-N 210.660 2.907 30 40 BFEB COc1c(C)cc(C#N)cc1C(F)(F)F 96029410 ONVJFWUMMAUFAA-UHFFFAOYSA-N 215.174 2.894 30 40 BFEB C[C@@H](O)[C@@H](C)SCc1cccc(C#N)c1 96430291 QIDFWXTZGNZNEF-NXEZZACHSA-N 221.325 2.561 30 40 BFEB C[C@H]1CCC[C@@H](Cn2ccnc2C#N)C1 97376712 DFZUBTLBFYYBJQ-WDEREUQCSA-N 203.289 2.581 30 40 BFEB Cc1c(N)cc(C#N)n1Cc1ccccc1Cl 225854030 MWLDURGGWGMRNG-UHFFFAOYSA-N 245.713 2.952 30 40 BFEB CCCCCCCNCc1cc(C)nn1C 256049678 AXUCOFQVPIWCJE-UHFFFAOYSA-N 223.364 2.789 30 40 BFEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NC1CCCC1 660207865 KAOGBINJIWXWFJ-BETUJISGSA-N 234.343 2.822 30 40 BFEB CSc1nccc(Oc2cccc(C#N)c2)n1 984098 UWKDWXPDNZHFKS-UHFFFAOYSA-N 243.291 2.862 30 40 BFEB N#C[C@@]12CCCC(=O)N1c1ccccc1S2 1611457 NJXIJTHQKPOMKI-LBPRGKRZSA-N 230.292 2.529 30 40 BFEB C=CCOC(=O)[C@H]1CC(C)=C[C@@H](C)[C@H]1C 4803884 FRKAESKGYSBYQG-UTUOFQBUSA-N 208.301 2.954 30 40 BFEB CC[C@@H]1S/C(=N\c2ccc(C)c(C)c2)NC1=O 6870806 QOAWFXHUXAWIKK-NSHDSACASA-N 248.351 2.933 30 40 BFEB CN(C)/C=C\C(=O)c1ccc(F)c(Cl)c1 12340113 ZOJGJDORYXDPEO-WAYWQWQTSA-N 227.666 2.737 30 40 BFEB N#Cc1cc(N)ccc1OCc1ccccc1 40887390 VEMXQKJDFXSYHB-UHFFFAOYSA-N 224.263 2.719 30 40 BFEB N#Cc1ccc(SC(F)(F)F)cn1 91252730 SDNIQHJPBDSEHF-UHFFFAOYSA-N 204.176 2.565 30 40 BFEB C=CCOC(=O)Cc1c(C)cccc1C 95991524 FZVPRJIYYVIANH-UHFFFAOYSA-N 204.269 2.575 30 40 BFEB N#Cc1ccc2c(c1)[C@H]1[C@H]3C=C[C@@H]3[C@H]3[C@H]1[C@H]23 101003244 OVXKINMQQCFJOD-BECKRBFASA-N 205.260 2.801 30 40 BFEB C=CCOc1c(C#N)cccc1OCC 225289627 HFAPLLGGVAKKCR-UHFFFAOYSA-N 203.241 2.522 30 40 BFEB C=C(C)[C@H]1CC[C@@H](C)O[C@H]1CN1CCCC1 4029230 OESHVYGQGUCFKO-MCIONIFRSA-N 223.360 2.842 30 40 BFEB CCOC(=O)[C@@H]1O[C@]12C[C@H](C)CC(C)(C)C2 5857769 RMWIEEYTJKQJFF-NRUUGDAUSA-N 226.316 2.533 30 40 BFEB CC(C)=C[C@H]1[C@@H](C(=O)N(C)CCC#N)C1(C)C 58309415 IFOGRFAUJJLLKU-RYUDHWBXSA-N 234.343 2.597 30 40 BFEB CO[C@@H](C#N)c1ccccc1Br 85090967 MGHRILBQDSZJKO-VIFPVBQESA-N 226.073 2.660 30 40 BFEB C=CCNC(=O)N1CC[C@@H](c2ccccc2F)C1 95389716 YYLFEXYAYSYYIF-LLVKDONJSA-N 248.301 2.511 30 40 BFEB CCC(=O)OCC#Cc1cccc(Cl)c1C 95631587 RTTDTLVCGZPEDV-UHFFFAOYSA-N 236.698 2.953 30 40 BFEB C#C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 100005571 NZTBBJYAWNVCOE-PHIMTYICSA-N 223.316 2.703 30 40 BFEB O/N=C1/[C@H]2CC[C@H](C2)[C@@H]1N1CCCCCCC1 100964738 SOJSNMUGHJYLFG-JDDAJVPPSA-N 236.359 2.881 30 40 BFEB COC(=O)/C=C(C)\C(C)=N/c1ccccc1 104131877 TVNHBYXCEJTLBT-WEJYHURQSA-N 217.268 2.898 30 40 BFEB COCC#CCN1CC[C@@H](C)C[C@@H]1c1ccco1 107593172 CMVJSFPNAKVAMC-ZIAGYGMSSA-N 247.338 2.702 30 40 BFEB C[C@H](CCN=C(N(C)C)N(C)C)c1ccccc1 225547657 MOXOKHHWKGWBMI-CYBMUJFWSA-N 247.386 2.659 30 40 BFEB CC(C)=CC(C)=NN=c1[nH]ncc2ccccc12 299888304 DQGFCLJXYFXXIJ-UHFFFAOYSA-N 240.310 2.806 30 40 BFEB CCOC(C)(OCC)O/N=C\c1ccccc1 16923511 MPTLJRLFGWXKEF-KAMYIIQDSA-N 237.299 2.784 30 40 BFEB C[C@H](C#N)Sc1nnc(-c2cccs2)o1 36712592 IRNURMZEXZCCKL-ZCFIWIBFSA-N 237.309 2.802 30 40 BFEB N#CCN1CCC(c2cc3ccccc3[nH]2)CC1 71841191 DJVPFKXMVBZRSH-UHFFFAOYSA-N 239.322 2.871 30 40 BFEB CCCCCCCC(=O)SCCNC(C)=O 85479671 ZSBVQWHKLXJOHJ-UHFFFAOYSA-N 245.388 2.743 30 40 BFEB C#Cc1c(F)ccc(Br)c1F 236151016 MCDFVPTYEWMBMB-UHFFFAOYSA-N 217.012 2.709 30 40 BFEB C/C=C/C(=O)N1C=Cc2ccccc2[C@@H]1C#N 478196 ZXZDUZPHGPHXDR-NDRDAGNVSA-N 224.263 2.640 30 40 BFEB Cc1cccc(C#CCN2CCCCC2)c1 4153311 ORIWGNJMNXQFSS-UHFFFAOYSA-N 213.324 2.832 30 40 BFEB Fc1ccc(CNCC#Cc2ccccc2)cc1 16451167 MUXMJZHQHINIFA-UHFFFAOYSA-N 239.293 2.967 30 40 BFEB C/C=C\C=N\N(C)C(=N)c1ccccc1 33768361 VRLMXMWOCCSAIT-ZGFYXWPUSA-N 201.273 2.506 30 40 BFEB CN(C)c1ccnc(Nc2ccccc2)c1C#N 36383306 SZXCWFGEORQKOE-UHFFFAOYSA-N 238.294 2.763 30 40 BFEB CC[C@H](C)C(=O)N[C@@H](C#N)c1ccccc1C 66406085 ZSLZNQVOJHSMSY-GWCFXTLKSA-N 230.311 2.722 30 40 BFEB C=CCNC(=O)[C@]12CC[C@H](C1)C(C)(C)C2=C 72242864 HIXCMJQKRMGHHF-BXUZGUMPSA-N 219.328 2.671 30 40 BFEB CCOc1ccc(C#C[C@](C)(O)CC)cc1 95632063 FDTLMFWQZQSVRO-CQSZACIVSA-N 218.296 2.598 30 40 BFEB CCOC(=O)c1sc(C(C)C)c(C#N)c1N 144198835 WFYITFWNBQRMNA-UHFFFAOYSA-N 238.312 2.502 30 40 BFEB Cc1ccccc1Cn1c(C#N)cc(N)c1C 225855574 FXVXJHVCCIKQBJ-UHFFFAOYSA-N 225.295 2.607 30 40 BFEB CSC(=S)N/N=C1/CCc2ccccc21 124128 ALTCRDXORSAPCL-BENRWUELSA-N 236.365 2.574 30 40 BFEB C=CCNC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C 2317111 NVEKSCIIIWJEKA-IONNQARKSA-N 248.153 2.880 30 40 BFEB CCc1ccc(C)[n+](CC(=O)c2cccs2)c1 8427820 UVDJXESGLSYDMV-UHFFFAOYSA-N 246.355 2.789 30 40 BFEB C/C=C/C=C/C(=O)N(C)Cc1cccc(C#N)c1 25100214 WXNQMMVTRXVOOI-PRKJJMSOSA-N 240.306 2.649 30 40 BFEB CC(=O)Oc1ccc2ccccc2c1C#N 40545202 GEXDKDCBPORRRF-UHFFFAOYSA-N 211.220 2.637 30 40 BFEB C[C@@H]1C[C@H]1C(=O)[C@@H](C#N)c1nc2ccccc2o1 41545466 PGOBRJSVWLNFAQ-OPRDCNLKSA-N 240.262 2.660 30 40 BFEB Cc1n[nH]c(C)c1/N=C/c1ccc(N(C)C)cc1 59415840 VZBKHZAJIRFXTP-OQLLNIDSSA-N 242.326 2.843 30 40 BFEB N#CCN(Cc1ccoc1)C1CCCCC1 96424534 QSIJOTOUNGQGJR-UHFFFAOYSA-N 218.300 2.938 30 40 BFEB O=[N+]([O-])c1c(C/C=N/O)ccc2ccccc12 100468574 OOASFHRXAIWSGT-MDWZMJQESA-N 230.223 2.751 30 40 BFEB O=S1(=O)OC2(CCCCC2)c2ccccc21 1872801 FWLHSILHPJXBEN-UHFFFAOYSA-N 238.308 2.565 30 40 BFEB CC(C)c1nc(C#N)c(NCc2cccnc2)o1 4871589 CFXLOFCBBHOJGL-UHFFFAOYSA-N 242.282 2.677 30 40 BFEB CN(C)CC#C[C@](C)(O)CCC1CCCCC1 16576263 BJRRPUFGYCGTMM-HNNXBMFYSA-N 237.387 2.663 30 40 BFEB C[C@H](CN(C)C)C(=O)/C=C\c1ccc(F)cc1 17174670 DDVWHTGQDYPNQO-DHHDDZJSSA-N 235.302 2.606 30 40 BFEB C=CCNc1ncc(Br)cc1C 42783852 YCTXWYSUCLXJMJ-UHFFFAOYSA-N 227.105 2.750 30 40 BFEB COc1ccc2nc(/N=C\N(C)C)sc2c1 100440650 BPQXVNLXHZYSPG-GHXNOFRVSA-N 235.312 2.526 30 40 BFEB Cc1cc(C(=O)CC#N)ccc1Br 106679604 CIVXUAGRRYENCE-UHFFFAOYSA-N 238.084 2.854 30 40 BFEB Cc1nc(C2CCC2)nn1CC1(C#N)CCC1 333524012 LCTXGWXXTNYIMC-UHFFFAOYSA-N 230.315 2.548 30 40 BFEB CCOc1ccc(NC(=NC#N)SC)cc1 377388 GXWOATZCUAMZDB-UHFFFAOYSA-N 235.312 2.697 30 40 BFEB C=CCOC(=O)[C@@H](O)[C@H](CC)CCCCC 1687135 NVXIZKYCSXQIKE-NEPJUHHUSA-N 228.332 2.683 30 40 BFEB C=CCNC(=O)c1ccc2nc(C)sc2c1 2140547 PZDIFMDKFYCSSU-UHFFFAOYSA-N 232.308 2.521 30 40 BFEB N#Cc1ccccc1C(=O)Cc1ccccc1 2392947 YOLUXVWDTYCYCG-UHFFFAOYSA-N 221.259 2.984 30 40 BFEB CC(C)(C)C(=O)Nc1cccc(C#N)c1 2663305 QOJQZSHQWXQPJJ-UHFFFAOYSA-N 202.257 2.543 30 40 BFEB O=C(O)c1cc(/N=C/c2ccccc2)ccc1O 4991249 RMAGTALKFJVYHQ-OQLLNIDSSA-N 241.246 2.841 30 40 BFEB C[C@@H](C#N)Cn1nc(C2CC2)cc1C(F)(F)F 12395632 VUKUFSQPQOFDSU-ZETCQYMHSA-N 243.232 2.939 30 40 BFEB CC[C@@H]1CCCCN1C(=O)c1ccc(C#N)cc1 12978838 OTZVWBJAJAMNIC-CQSZACIVSA-N 242.322 2.963 30 40 BFEB CN(Cc1ccccc1)c1ncccc1C#N 19471921 DKWLLEQBWOTTRZ-UHFFFAOYSA-N 223.279 2.590 30 40 BFEB C=CCNC(=O)N[C@H](C)c1ccc(Cl)cc1 26518051 DLXOAUSRAGLCBG-SECBINFHSA-N 238.718 2.886 30 40 BFEB C#CCNC(=O)N[C@H](C)c1ccc(C(C)C)cc1 32843817 HWNARMPAGLEEFF-GFCCVEGCSA-N 244.338 2.803 30 40 BFEB C#CCn1cc(-c2cccc(Cl)c2)cn1 85391481 CBRIZBTTYSBQNZ-UHFFFAOYSA-N 216.671 2.837 30 40 BFEB C#CCNC(=O)Nc1cccc(Cl)c1Cl 95096766 ZYNGOBIIMDOSNV-UHFFFAOYSA-N 243.093 2.748 30 40 BFEB CC(C)C[C@H](C)S(=O)(=O)/N=C(\O)C(C)(C)C 95396892 BNVHMWRPHWGURO-VIFPVBQESA-N 249.376 2.753 30 40 BFEB N#CC12CC(CCN1Cc1ccccc1)C2 95743039 HDCHDGYPHYQWKZ-UHFFFAOYSA-N 212.296 2.565 30 40 BFEB CCC(CC)CN(CCC#N)c1ncccn1 95974219 BTGCLDXAGPOJFA-UHFFFAOYSA-N 232.331 2.633 30 40 BFEB CC(C)(C)[C@H](C#N)OC(=O)c1cccc(F)c1 96013291 QZIMAGFWUIWQOU-NSHDSACASA-N 235.258 2.921 30 40 BFEB C=CC[C@H](CC)NC(=O)NCc1cncc(C)c1 252478625 AQMFCGXDJVVZDZ-ZDUSSCGKSA-N 247.342 2.544 30 40 BFEB O/N=C1\[C@H]2CC[C@H](C2)[C@@H]1n1cnc2ccccc21 5338698 CCDKTRCRBOOFBF-VPHKZNLGSA-N 241.294 2.838 30 40 BFEB CC1=C(/C(C)=N/N)Sc2ccccc2N1 5615705 BKNSOYCDXKCGDE-RIYZIHGNSA-N 219.313 2.770 30 40 BFEB C=CCOc1ccc(/C=C\[N+](=O)[O-])cc1OC 6008550 BJWUJOOOKRGUNM-SREVYHEPSA-N 235.239 2.507 30 40 BFEB C/C(=C\C(=O)c1ccc(C)cc1)N(C)C 22126597 WOCSELRLTMCQDJ-PKNBQFBNSA-N 203.285 2.643 30 40 BFEB CCCCCCCCCCC(=O)NCC(=O)O 85589911 HEUQYIQQCNOXOG-UHFFFAOYSA-N 243.347 2.718 30 40 BFEB endogenous,in-man Cn1cc(/C=C2/CCc3ccccc3C2=O)cn1 98054273 ITFNAUKKNBSMAX-JYRVWZFOSA-N 238.290 2.633 30 40 BFEB O=[N+]([O-])c1ccc(/C=N/c2ccccn2)cc1 100039058 BFMMXVVVVKDLLR-NTEUORMPSA-N 227.223 2.740 30 40 BFEB CC1(C)CCCN(CCc2ccncc2)[C@@H]1C#N 277617147 AACAGSFGCNILFC-CQSZACIVSA-N 243.354 2.638 30 40 BFEB N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21 4348885 LTYOJFOTFBGRPP-WIZMWCRPSA-N 238.290 2.873 30 40 BFEB Cn1c(-c2ccccc2)cnc1SCC#N 5263704 QZBGVEUNIOTWLZ-UHFFFAOYSA-N 229.308 2.703 30 40 BFEB CCOC(=O)[C@]1(CC)O[C@@]12CCCC[C@@H]2C 86166061 WSNIIJKJHOFXAE-WCFLWFBJSA-N 226.316 2.677 30 40 BFEB C=CCc1c(O)ccc2c(C)cc(=O)oc12 132975 CIXIKMJRDJIDJA-UHFFFAOYSA-N 216.236 2.536 30 40 BFEB C=CCOP(=O)(CC=C)OCC=C 2560551 OEZDKAYURQJVOD-UHFFFAOYSA-N 202.190 2.771 30 40 BFEB CC(C)(C)c1csc(/N=C2\CCCN2)n1 2659508 LTDNEQXTJTYIDP-UHFFFAOYSA-N 223.345 2.854 30 40 BFEB CCCCOc1ccc(NC(=O)CS)cc1 4147922 RWONAIVTHXLGQR-UHFFFAOYSA-N 239.340 2.734 30 40 BFEB C=CCOc1ccc(CNC2CC2)cc1OCC 8254454 OMHLRHHBJOQDML-UHFFFAOYSA-N 247.338 2.902 30 40 BFEB CCC[C@H](C)C(=O)[C@H](C#N)c1nc(C)cc(C)n1 76089994 DJJZEVCTYWJREK-CABZTGNLSA-N 245.326 2.706 30 40 BFEB CCCC[C@H](O)C#Cc1cccc(F)c1 95632466 JBBPGERDTQWGFK-ZDUSSCGKSA-N 206.260 2.728 30 40 BFEB CC(=N/Nc1ccccc1Cl)/C(C)=N/O 104203649 QDTSUZGBUVBNEC-FHGRNIPQSA-N 225.679 2.978 30 40 BFEB C=CC[C@H](O)/C=C/c1ccccc1OC 199532103 WJMSSIRWBOXKGO-VMPCVLLUSA-N 204.269 2.645 30 40 BFEB C=CCn1c(CO)ccc1Cc1ccccc1 226027843 XPYDEFDUVLQKET-UHFFFAOYSA-N 227.307 2.757 30 40 BFEB c1ccc(C2OCC3(CC[C@@H]4O[C@H]4C3)CO2)cc1 3138907 ALNBOXIUYVENNJ-HESLUPGFSA-N 246.306 2.670 30 40 BFEB N#Cc1cccc(CNC(=O)C[C@@H]2C=CCC2)c1 45214733 UHENKOBSBQHHQM-GFCCVEGCSA-N 240.306 2.531 30 40 BFEB N#Cc1cc(C(F)(F)F)c(Cl)cn1 118661443 SPNZMEZMUQOGRF-UHFFFAOYSA-N 206.554 2.625 30 40 BFEB O=C(/C=C/c1cccc(O)c1)c1cccc(O)c1 8322405 UALHWTHYPDBXSN-BQYQJAHWSA-N 240.258 2.994 30 40 BFEB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(C#N)cc2)C1 12409067 ZOXBSFNCRSTDQP-TXEJJXNPSA-N 242.322 2.676 30 40 BFEB COc1ccccc1-c1ccc(/C=N\O)o1 13110434 UHXZYLPOMAITGU-JYRVWZFOSA-N 217.224 2.763 30 40 BFEB N#Cc1cccnc1Sc1ccc(O)cc1 38079207 KIMWTZKVZKWVLE-UHFFFAOYSA-N 228.276 2.810 30 40 BFEB CCc1nc(C)cn1[C@@H]1/C(=N/O)[C@H]2CC[C@H]1C2 100965655 BTHRSGCFDKFCQP-NPTMVIMRSA-N 233.315 2.555 30 40 BFEB O=C1CCCC/C1=C/Nc1ccccc1O 101454105 NWRBFXFGJQJMCZ-KTKRTIGZSA-N 217.268 2.831 30 40 BFEB CC/C=C(/CCC)[C@@](C)(C#N)C(=O)OC 1716498 MLISISAHOURVHQ-MQGYJPLLSA-N 209.289 2.826 30 40 BFEB C/C(=N\Nc1nc2ccccc2[nH]1)c1ccco1 5070787 CMLRBMSWUGFPKU-CXUHLZMHSA-N 240.266 2.992 30 40 BFEB O=C(O)c1ccccc1/C=N\N1CCCCCC1 12416689 DYZZVFLQWYKPIO-PTNGSMBKSA-N 246.310 2.595 30 40 BFEB N#Cc1cccc(C(=O)C(F)(F)Cl)c1 306226401 GACCFIPSKUDEDK-UHFFFAOYSA-N 215.586 2.573 30 40 BFEB CCc1nc(S[C@@H](C#N)c2ccccc2)n[nH]1 562964727 NSCPPACZTMBKKM-JTQLQIEISA-N 244.323 2.724 30 40 BFEB CCCCOC(=O)[C@@]1(C)O[C@H]1c1ccccc1 1734144 BUSAPNYJIMUSIH-JSGCOSHPSA-N 234.295 2.860 30 40 BFEB O=C(O)c1ccc(/C=N\N2CCCCCC2)cc1 31659205 UHJOUUWLRXZOND-PTNGSMBKSA-N 246.310 2.595 30 40 BFEB CN(Cc1ccc(C#N)cc1)Cc1cscn1 46528281 GLWOTKDCPGGCLE-UHFFFAOYSA-N 243.335 2.647 30 40 BFEB N#Cc1ccc2c(Br)ccnc2c1 49582020 KDVXRLZYRFHOAX-UHFFFAOYSA-N 233.068 2.869 30 40 BFEB Cc1cc(/C=N/O)cnc1NCc1ccccc1 72222319 FBNHZAOBEUBXHL-LICLKQGHSA-N 241.294 2.810 30 40 BFEB CCO[C@H](C)OCC#Cc1ccccc1CC 95632110 RJIJBABPEWUTCM-ZDUSSCGKSA-N 232.323 3.000 30 40 BFEB C=CCCNc1cccc(C[S@](C)=O)c1 95990864 WIIYLUZMDUBOKV-OAHLLOKOSA-N 223.341 2.553 30 40 BFEB O=[N+]([O-])c1cccc(C=[N+]([O-])c2ccccc2)c1 103754980 MVRJCWHZAFUMPZ-UHFFFAOYSA-N 242.234 2.856 30 40 BFEB C=CCN(CC=C)CCCN(CC=C)CC=C 2563347 KKAIREMKWOORCU-UHFFFAOYSA-N 234.387 2.725 30 40 BFEB C=CCNC(=S)Nc1cccc2cnccc12 3244412 AZDZNXMYPHDMDJ-UHFFFAOYSA-N 243.335 2.707 30 40 BFEB C[C@@H](C#N)OC(=O)c1ccc(-n2cccc2)cc1 5260990 SWTKUTBLHVVLPZ-NSHDSACASA-N 240.262 2.546 30 40 BFEB CC(C)c1ccccc1NC(=O)CC#N 5913222 OZKZUSINEUZVFR-UHFFFAOYSA-N 202.257 2.662 30 40 BFEB O=c1c2ccccc2ncn1N=C1CCCCC1 6536081 KUIYLFWRQRUJOF-UHFFFAOYSA-N 241.294 2.565 30 40 BFEB CC/C(=N\O)c1ccccc1OC(F)F 20283392 XJXZDQNJNZGBPN-MDWZMJQESA-N 215.199 2.876 30 40 BFEB N#C[C@H]1CCCC[C@H]1OC(=O)c1ccoc1 71883862 OHSLNKRPXXEFTF-MWLCHTKSSA-N 219.240 2.519 30 40 BFEB CC(C)CC/C(O)=N/S(=O)(=O)CC(C)(C)C 79037003 NTOORJOJIZQHEC-UHFFFAOYSA-N 249.376 2.755 30 40 BFEB Cc1csc(N/N=C/c2ccc(C)o2)n1 210968502 KWAUMJNMHVPMFN-VZUCSPMQSA-N 221.285 2.799 30 40 BFEB CSC(=NC#N)Sc1ccccc1 256080871 DFCMEHPDGATCFE-UHFFFAOYSA-N 208.311 2.979 30 40 BFEB C(#CCN1CCCCC1)COCc1ccccc1 1895799 TZFNYGOXMIZWJC-UHFFFAOYSA-N 243.350 2.693 30 40 BFEB N#Cc1cccc(C(=O)Cc2ccccc2)c1 2392948 SJUJLORYVIDRGF-UHFFFAOYSA-N 221.259 2.984 30 40 BFEB CC[C@@H](C)N/C(C)=C1\C(=O)C[C@@H]2[C@H]1C2(C)C 3985056 BTZAUNXBRRRYSC-ZYWZBSKPSA-N 221.344 2.894 30 40 BFEB biogenic Nc1ccccc1/C=C1\Sc2cc[nH]c2C1=O 17014581 SAQRGAQZQZOAKX-XFFZJAGNSA-N 242.303 2.926 30 40 BFEB N#CCCCSc1ccccc1C#N 34569361 JYUPBBYYAUJZBD-UHFFFAOYSA-N 202.282 2.954 30 40 BFEB C=C(C)CSc1nncn1Cc1ccco1 48399400 WSWGSKOIWBDQMW-UHFFFAOYSA-N 235.312 2.588 30 40 BFEB Cc1c(C(=O)NCC#N)sc2cccc(F)c12 58208479 JVMPYJGGNHHMHA-UHFFFAOYSA-N 248.282 2.602 30 40 BFEB Cc1nc(C(=O)Oc2ccc(C#N)cc2)cs1 69312078 RSAXVTMUOJEAAA-UHFFFAOYSA-N 244.275 2.542 30 40 BFEB COC(=O)[C@H](C)CSCc1ccc(C#N)cc1 78824456 WWFRCVZJKLWKJO-SNVBAGLBSA-N 249.335 2.601 30 40 BFEB CCC(=O)OCC#Cc1cc(F)cc(Cl)c1 95633328 ICWLCYBWJCQTRK-UHFFFAOYSA-N 240.661 2.784 30 40 BFEB O=C1CCC/C(=N\Nc2ccc([N+](=O)[O-])cc2)C1 103919783 KEDYRZLMUGGAQM-GXDHUFHOSA-N 247.254 2.506 30 40 BFEB O=C[C@@H]1C(=O)c2ccccc2[C@@H]1c1ccccc1 105637655 GOMJDSFBVGLJBG-GJZGRUSLSA-N 236.270 2.830 30 40 BFEB CC(C)COc1c(C#N)cc(F)cc1[N+](=O)[O-] 225286490 HGSNXMKZZJDUSM-UHFFFAOYSA-N 238.218 2.640 30 40 BFEB N#Cc1cnccc1Oc1ccc(F)cc1 260349951 YFBDTNUFWOUVMU-UHFFFAOYSA-N 214.199 2.885 30 40 BFEB COC(=O)c1cccc(C(=O)C=C(C)C)c1 309180624 CXEVBYXUARCPIX-UHFFFAOYSA-N 218.252 2.622 30 40 BFEB N#Cc1ccccc1NC(=O)[C@@H]1CC=CCC1 68233506 BUVHBFFDVKDURM-LLVKDONJSA-N 226.279 2.853 30 40 BFEB C=CCNCc1cc(OC)ccc1OC(C)C 95094941 MSNIKJAWSGVGSK-UHFFFAOYSA-N 235.327 2.758 30 40 BFEB N#CC1(c2ncc(Cl)cc2Cl)CC1 306647089 PBPCWFMRHSGHDD-UHFFFAOYSA-N 213.067 2.944 30 40 BFEB O=C(O)CC12C[C@@H]3C[C@@H](CC(S)(C3)C1)C2 186844 CHSPPLSPXOFYII-LRSDLPTKSA-N 226.341 2.730 30 40 BFEB CNc1sc2c(c1C#N)CC(C)(C)OC2 1005561 FFIBIQUTKQNLSH-UHFFFAOYSA-N 222.313 2.513 30 40 BFEB N#C[C@@H]1OC1(c1ccccc1)c1ccccc1 4280457 OCTGGDPNHOTSIG-AWEZNQCLSA-N 221.259 2.853 30 40 BFEB CCOC(=O)[C@@H](C#N)[C@@H]1CCC[C@H](C)CC1 4691796 MLKBVLYMGYYCCS-TUAOUCFPSA-N 223.316 2.906 30 40 BFEB N#Cc1cc(Br)cc2cccnc12 95929743 TZRKTJCKHMMRLR-UHFFFAOYSA-N 233.068 2.869 30 40 BFEB CN(C)CCC/N=C\c1ccccc1Cl 109056886 IDICIXMXBBLHIV-UVTDQMKNSA-N 224.735 2.711 30 40 BFEB CCOc1cc(C#N)ccc1Br 2383964 GQIYEMYPXFLQSY-UHFFFAOYSA-N 226.073 2.719 30 40 BFEB CCC(C)(C)/N=C(/S)Nc1cccnc1 13724819 ZRJSTZBAOVVDIH-UHFFFAOYSA-N 223.345 2.968 30 40 BFEB [N-]=[N+]=Nc1ncnc2c1cnn2-c1ccccc1 16523971 SIAKLKRWGQVBSC-UHFFFAOYSA-N 237.226 2.757 30 40 BFEB CCCCCC[C@@H]1/C(=N/O)CC[C@@H]1C(=O)OC 17751632 PGALRUISDKOHMZ-AXNDHVTISA-N 241.331 2.986 30 40 BFEB C=C(Cl)CSc1nnc(-c2ccc[nH]2)o1 18366795 YZQNSCJTLIUSPA-UHFFFAOYSA-N 241.703 2.909 30 40 BFEB N#CCCN(CC1CC1)[C@H]1C=CCCC1 78993134 YEDSSGUUMACNFF-ZDUSSCGKSA-N 204.317 2.721 30 40 BFEB COC(=O)[C@@]1(C)O[C@@]1(C)c1ccccc1Cl 85657727 AXURWAIICNXNSI-NWDGAFQWSA-N 240.686 2.517 30 40 BFEB COc1ccc(/C=N/c2ccc(O)cc2)cc1O 62893 XVGMUPQFDSWEHS-OQLLNIDSSA-N 243.262 2.857 30 40 BFEB CCCOc1ccccc1/C=C1/C(=O)ON=C1C 4320963 SIYMBPAHGILLAM-FMIVXFBMSA-N 245.278 2.792 30 40 BFEB Oc1ccc(/C=N\N=C/c2ccc(O)cc2)cc1 12410286 UKWBKIBZVTUBQP-VULZFCBJSA-N 240.262 2.551 30 40 BFEB O=C(/C=C\c1cccnc1)c1ccccc1 16890787 MHYINARESROASH-HJWRWDBZSA-N 209.248 2.978 30 40 BFEB N#Cc1c(C(F)(F)F)ccnc1Cl 35822743 FCYFQKPMNQFMKA-UHFFFAOYSA-N 206.554 2.625 30 40 BFEB C[C@H]1CCCCN1C(=O)Nc1ccc(C#N)cc1 45026988 WJZQDVYZGNNODR-NSHDSACASA-N 243.310 2.965 30 40 BFEB Cc1ccc(-c2[nH]c(C#N)nc2Cl)cc1 95830599 AHLIZUWPYRQFHY-UHFFFAOYSA-N 217.659 2.910 30 40 BFEB C[C@H](c1ccccn1)N(C)Cc1ccc(C#N)o1 97113668 XXBQKONBQRXTNB-LLVKDONJSA-N 241.294 2.739 30 40 BFEB CC1(C)C[C@H]2C[C@@](C)(CN2CCC#N)C1 103418968 LUCWNPPGMFMIEZ-WCQYABFASA-N 206.333 2.801 30 40 BFEB O=C(/C=C\c1ccccc1)[C@]12CCCC[C@@H]1O2 106084664 NGZQTNPQEMVTTL-VUFKQPGHSA-N 228.291 2.981 30 40 BFEB CCCCOC(=O)[C@@H](C#N)Cc1ccccc1 3159547 ZRYGZYFWJAKWQY-CYBMUJFWSA-N 231.295 2.712 30 40 BFEB C=C[C@](F)(OC(F)(F)F)C(F)(F)F 16125581 WBIQBVWPTRRHCM-VKHMYHEASA-N 212.064 2.937 30 40 BFEB C=CCN(CC=C)Cc1cccc(C#N)c1 31945963 RIBAQFDLNITDTR-UHFFFAOYSA-N 212.296 2.732 30 40 BFEB O=[N+]([O-])c1ccccc1N/N=C1/C[C@@H]2CC=C[C@@H]12 35418431 MQGJLLGDRSSQQU-ASYFJWBASA-N 243.266 2.959 30 40 BFEB CC[C@H](C)C(=O)N[C@H](C#N)c1ccccc1C 66406091 ZSLZNQVOJHSMSY-GXFFZTMASA-N 230.311 2.722 30 40 BFEB COc1cc(C(F)(F)F)cc(F)c1C#N 97447213 UPGLGNRBJPUOBE-UHFFFAOYSA-N 219.137 2.725 30 40 BFEB O=C1CCCC2=C1[C@H](c1ccccc1)/C(=N/O)O2 104195304 VHQDEJKTZUTIGP-VCHHOEMESA-N 243.262 2.595 30 40 BFEB Cc1ccsc1COc1cnccc1C#N 585651095 ACGXCEBMJPDZDR-UHFFFAOYSA-N 230.292 2.902 30 40 BFEB C#C[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 606301677 VWORSLRRUJYZOT-JTQLQIEISA-N 223.316 2.513 30 40 BFEB O=C(/C=C\c1ccccc1O)c1cccc(O)c1 5722876 KAMRNYCNWDARJA-HJWRWDBZSA-N 240.258 2.994 30 40 BFEB O=C(C/C=N\O)Nc1ccc(Cl)c(Cl)c1 11535986 LYFYCCVNZQBRJZ-QCDXTXTGSA-N 247.081 2.782 30 40 BFEB C[C@@H]1c2ccsc2CCN1CCC#N 32814859 PVRWJNKBZCUKHN-SECBINFHSA-N 206.314 2.581 30 40 BFEB CC(C)(C)OC(=O)N1CCCC[C@H]1CC#N 40448883 JWSIENSNGUDMIG-JTQLQIEISA-N 224.304 2.690 30 40 BFEB N#Cc1cnc(NCc2ccco2)c(Cl)c1 71893850 UATCAASLORTETN-UHFFFAOYSA-N 233.658 2.812 30 40 BFEB N#Cc1cccc(SCc2ccon2)c1 95409284 OIFJVCIDRFZCED-UHFFFAOYSA-N 216.265 2.839 30 40 BFEB CC[C@](C)(O)C#Cc1cc(F)ccc1C 95632388 YLXULWHEIOBQSG-ZDUSSCGKSA-N 206.260 2.647 30 40 BFEB CCOC(=O)N1c2ccccc2S[C@H]1C#N 5765548 MZHDSXVXBKAJGQ-JTQLQIEISA-N 234.280 2.605 30 40 BFEB CCCCOc1ccc(Cl)cc1/C(N)=N\O 52860845 CXZYRWJHDUYIKU-UHFFFAOYSA-N 242.706 2.613 30 40 BFEB N#C[C@H](c1ccccc1)N1CCC(F)(F)CC1 71257241 DPTQIWCUTDHOIM-GFCCVEGCSA-N 236.265 2.982 30 40 BFEB O=CCC(=O)c1c(Cl)ccc(F)c1Cl 100866982 OWRJIOMMGWYRIQ-UHFFFAOYSA-N 235.041 2.904 30 40 BFEB C/C=C/C(=O)c1ccc(C(=O)OCC)cc1 205576743 HFGSYJSHXKXKPI-HWKANZROSA-N 218.252 2.622 30 40 BFEB N#Cc1ccc2nc3c(nc2c1)[C@@H]1CC[C@@H]3C1 217623127 BMAGCBRVXMSIOK-NXEZZACHSA-N 221.263 2.866 30 40 BFEB C=C(C)c1nc(C#N)c(NC2CCCC2)o1 8916878 JHRNRZMAEWVDKU-UHFFFAOYSA-N 217.272 2.934 30 40 BFEB C[C@@H](NCc1cccnc1)c1ccc(C#N)cc1 20140760 DYFDPMWBDMNTHZ-GFCCVEGCSA-N 237.306 2.804 30 40 BFEB C=C(C)CN(CC)C(=O)c1ccc(C)o1 57158159 SDWAQKZTPUYPNE-UHFFFAOYSA-N 207.273 2.626 30 40 BFEB C=C(C)CSc1nnc(N(C)C)n1C(C)C 69592752 ABPVXYLQCGHWBE-UHFFFAOYSA-N 240.376 2.593 30 40 BFEB C=CCN(C(=O)[C@H]1C[C@H]1C)c1ccccc1 71186266 SUHYTVGQTVCYTK-YPMHNXCESA-N 215.296 2.862 30 40 BFEB CCOC(=O)[C@@]1(CC)O[C@@]1(C)C(C)(C)C 86166096 NGUCTUCFTUGNFT-NWDGAFQWSA-N 214.305 2.533 30 40 BFEB COc1ccc(CC#N)c(C2(O)CCCCC2)c1 87491421 FVXZCUNGWGVTNG-UHFFFAOYSA-N 245.322 2.913 30 40 BFEB CCCC[C@@H](O)C#Cc1ccc(N(C)C)cc1 95633030 RLCMMJLBAQXDSZ-OAHLLOKOSA-N 231.339 2.655 30 40 BFEB N#Cc1ccc2[nH]c(-c3cscn3)nc2c1 96874405 DTQNURVJUCHZDE-UHFFFAOYSA-N 226.264 2.558 30 40 BFEB in-vitro CCCCCCCNCCCNCC 100016239 WANOHQFDYKUULD-UHFFFAOYSA-N 200.370 2.546 30 40 BFEB CC/C=C(\C)C(=O)[C@H](C#N)c1nc(C)cs1 102941951 LNBPTHOICDAITA-YVFTVSHDSA-N 234.324 2.984 30 40 BFEB N#Cc1ccnc(SCc2cncc(F)c2)c1 185193789 NHAKRFONYUGUKI-UHFFFAOYSA-N 245.282 2.780 30 40 BFEB Cc1ccc2c(c1)[C@@H](CC#N)C(=O)N2CC1CC1 218779959 OXSAZGYBJNNAST-GFCCVEGCSA-N 240.306 2.749 30 40 BFEB CCCSc1nc(N)c(C#N)c(C(C)C)n1 225892211 TVHCQFHUYCAAEM-UHFFFAOYSA-N 236.344 2.556 30 40 BFEB CC#CCCCCN[C@H]1CSC1(C)C 308677783 WOYLZNSDJJECFV-NSHDSACASA-N 211.374 2.664 30 40 BFEB CC(COc1ccccc1OC(C)C)=NO 2362797727 XBLPYCUANLRHSA-UHFFFAOYSA-N 223.272 2.703 30 40 BFEB O=CC1(c2ccco2)SCCCS1 1572557 WBFWGZNHRYHCHF-UHFFFAOYSA-N 214.311 2.501 30 40 BFEB CCOC(=O)N=C(C(F)(F)F)C(F)(F)F 2159462 HRXXRHLTFHWCCM-UHFFFAOYSA-N 237.099 2.709 30 40 BFEB C=CCSc1nc2ccccc2n2cnnc12 3052365 NEFIACXFKDDCJP-UHFFFAOYSA-N 242.307 2.556 30 40 BFEB C=CCn1cc(C=O)c2ccc(F)cc21 4998965 AMPNCCBPCSVJER-UHFFFAOYSA-N 203.216 2.779 30 40 BFEB in-vitro Fc1ccc(N/N=C/c2ccncc2)cc1 6242009 QJDUEHVLFCIGTA-OQLLNIDSSA-N 215.231 2.667 30 40 BFEB CN1CCCCC/C1=N\C(=O)c1ccccc1 18045815 DAEHWFKWZFKPNF-FYWRMAATSA-N 230.311 2.731 30 40 BFEB N#Cc1ccc(NC(=O)OCC(F)(F)F)cc1 20281440 JANVIWCHIMGIJK-UHFFFAOYSA-N 244.172 2.669 30 40 BFEB in-vitro CC(C)CC(=O)N(C)Cc1cccc(C#N)c1 40498630 DFOBFXPLRMPQSM-UHFFFAOYSA-N 230.311 2.563 30 40 BFEB C=C(Cl)Cc1ccc2c(c1)OCCO2 43209582 CAYVELWTNHXFHZ-UHFFFAOYSA-N 210.660 2.753 30 40 BFEB Cn1cc(C(=O)/C=C/c2ccccc2Cl)cn1 49151450 XXNMVIMUEXLPAO-VOTSOKGWSA-N 246.697 2.970 30 40 BFEB Cc1nc(SCCC#N)nc2ccccc12 51367090 ZLCQYAYCXXQTTD-UHFFFAOYSA-N 229.308 2.944 30 40 BFEB CC(=O)c1ccc2cc(OCC#N)ccc2c1 96452653 IDKNKYAOXOSNCN-UHFFFAOYSA-N 225.247 2.945 30 40 BFEB CCOc1cc(/C=N\O)cc(Cl)c1OC 100220085 KSIQIJQOBJLICW-SDQBBNPISA-N 229.663 2.555 30 40 BFEB CC(=O)/C(Sc1ccccc1)=C(/C)N 100385111 LVAMHABPNPNFBS-DHZHZOJOSA-N 207.298 2.558 30 40 BFEB C(=N/c1ccc2c(c1)OCO2)\c1ccco1 571295 ILSSRUWOTIABDM-NTUHNPAUSA-N 215.208 2.759 30 40 BFEB C=COCC(F)(F)C(F)(F)C(F)(F)F 2572061 UDAAMHMYEJUEDJ-UHFFFAOYSA-N 226.091 2.979 30 40 BFEB O/N=C(/Cc1nc2ccccc2[nH]1)c1ccco1 12505205 FHEQCGZTZCRMLB-WJDWOHSUSA-N 241.250 2.577 30 40 BFEB C=C1CC[C@H]2[C@](C)(O)CC[C@@H](C(C)C)[C@]2(O)C1 14918650 AHNGXHRYFGQWSL-BYNSBNAKSA-N 238.371 2.891 30 40 BFEB endogenous,in-man N#C[C@@H](c1c[nH]c2ccccc12)N1CCCC1 19795660 YKSGJXAQYQUFJD-AWEZNQCLSA-N 225.295 2.828 30 40 BFEB C#CCn1c([C@H]2CCCO2)nc2ccccc21 20867766 QDKDHUSJFWCZLT-CYBMUJFWSA-N 226.279 2.521 30 40 BFEB C=CCN(CC)Cc1ccc(OC)c(OC)c1 44889312 DPBSUXBPDQCBQC-UHFFFAOYSA-N 235.327 2.712 30 40 BFEB C=C(C)CN(CC)C(=O)Cc1ccc(F)cc1 57157927 UAZWLDAFUCQWGU-UHFFFAOYSA-N 235.302 2.793 30 40 BFEB CC[C@H](C)C(=O)N[C@@H](C#N)c1ccccc1F 71889077 BBLSDWXNFANPKJ-CABZTGNLSA-N 234.274 2.553 30 40 BFEB OC1(C#Cc2cccc(Cl)c2)CCCC1 95631785 AOKRPIOJTQSTLY-UHFFFAOYSA-N 220.699 2.997 30 40 BFEB COc1ccc(Cl)cc1/C=C/C=N/N(C)C 1709654 HZBWYAATRDJXJH-DLBFRJOTSA-N 238.718 2.909 30 40 BFEB O=CCCOc1ccc(Cl)c(Cl)c1 11569684 OCEBIPWORSHUFM-UHFFFAOYSA-N 219.067 2.961 30 40 BFEB in-vitro O=C(O)c1ccc(/N=C/c2ccccc2O)cc1 13940414 CZNXQJHAMQNIHB-OQLLNIDSSA-N 241.246 2.841 30 40 BFEB biogenic N#Cc1cccnc1OCc1ccccc1F 62613616 HMHAHAXFTJNYSS-UHFFFAOYSA-N 228.226 2.671 30 40 BFEB O=C(/C=C/c1ccccc1)[C@@]12CCC[C@@H]1O2 3129363 NZXHLNNSFKUNFN-CFYKVZDHSA-N 214.264 2.590 30 40 BFEB O=C(O)C(=O)/C=C\c1ccc(Cl)c(Cl)c1 12416419 MNASQCXSZQNYJN-RQOWECAXSA-N 245.061 2.660 30 40 BFEB N#Cc1c[nH]nc1-c1cccc(Br)c1 16698736 FWXZRLNKNRBURO-UHFFFAOYSA-N 248.083 2.711 30 40 BFEB CCOC(=O)c1ccc(-c2ccccc2C#N)o1 22124236 GUDCFZWVYLMQED-UHFFFAOYSA-N 241.246 2.995 30 40 BFEB O=CCCc1cc(F)cc(Br)c1 84193857 PMBPUMYFFOPDFB-UHFFFAOYSA-N 231.064 2.720 30 40 BFEB CCN(CC)CC#Cc1cc(C)cc(C)c1 95633060 AMBDDAXKHBXGHG-UHFFFAOYSA-N 215.340 2.997 30 40 BFEB C[C@@H](NCC#N)c1c(F)cccc1Cl 95985941 JMBHTJHYCAFNBF-SSDOTTSWSA-N 212.655 2.653 30 40 BFEB N#CCC(=O)c1ccc(F)c(OC(F)(F)F)c1 98210918 OXAGLGKDVWKLHS-UHFFFAOYSA-N 247.147 2.821 30 40 BFEB CCCCCCCC(=O)SCCO 217591140 QRCABVSWUFXOSN-UHFFFAOYSA-N 204.335 2.599 30 40 BFEB Cc1cc(C#N)c(C)n1-c1cccc(C(=O)O)c1 223715389 FUNWPCCIXXRBTD-UHFFFAOYSA-N 240.262 2.664 30 40 BFEB C/C=C/c1ccc(OC[C@@H]2CO2)c(OC)c1 1717385 GRKBETVXAMQRSR-UFFNRZRYSA-N 220.268 2.506 30 40 BFEB in-vitro Cc1cc(=O)n2c(ccc3ccccc32)c1C#N 3310780 SACCNDZQNYUJGM-UHFFFAOYSA-N 234.258 2.633 30 40 BFEB aggregator N/N=C/c1ccc(Oc2ccccc2)cc1 6864376 FANKQKCSICUNKS-XNTDXEJSSA-N 212.252 2.772 30 40 BFEB Cc1ccc(C(=O)OCc2ccc(C#N)cc2)o1 20862921 QFFXUUZOGGDZFV-UHFFFAOYSA-N 241.246 2.817 30 40 BFEB Nc1cccc(C#Cc2cc(F)cc(F)c2)c1 37547752 GXAZSSFXGIFNGB-UHFFFAOYSA-N 229.229 2.947 30 40 BFEB N#Cc1cc(F)ccc1CSc1ncc[nH]1 79003659 DMSDUVAVSVLRSI-UHFFFAOYSA-N 233.271 2.713 30 40 BFEB N#Cc1nc2c(Br)cccc2s1 83338558 LMJCONZUVMGTSU-UHFFFAOYSA-N 239.097 2.930 30 40 BFEB in-vitro C=C1C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CO 252517106 ZQCMGJAUFDKKDX-QVHKTLOISA-N 238.371 2.748 30 40 BFEB biogenic,in-vitro C(=N/Cc1ccco1)\c1ccc2c(c1)OCO2 67236 ZRGUWQDVIMYVPJ-VGOFMYFVSA-N 229.235 2.627 30 40 BFEB C/C(=N\Nc1ccccc1)c1cccnc1 4964976 PFVJRCXZDDAHRM-RVDMUPIBSA-N 211.268 2.918 30 40 BFEB Oc1cccc(/C=N/n2cnc3ccccc32)c1 7809978 PMPPDSAHZLUVHG-CXUHLZMHSA-N 237.262 2.624 30 40 BFEB Cc1cc(N/C=C\C(=O)c2ccc(F)cc2)on1 16284064 RATHQAOVGQSZFV-SREVYHEPSA-N 246.241 2.931 30 40 BFEB N#CCCN1CCC(Nc2ccccc2F)CC1 72688307 HZDTVAWQEVAQJX-UHFFFAOYSA-N 247.317 2.616 30 40 BFEB C[C@@H]1CC/C(=N/[N+](C)(C)C)c2ccccc21 104138335 YITGCHRPMDLEQI-PHIZWAGYSA-N 217.336 2.994 30 40 BFEB O=C[C@@H]1C(=O)c2ccccc2[C@H]1c1ccccc1 105637653 GOMJDSFBVGLJBG-LSDHHAIUSA-N 236.270 2.830 30 40 BFEB C(=N\OCc1ccccc1)\c1cccnc1 4758426 KZWHYRYIEHREEV-GDNBJRDFSA-N 212.252 2.632 30 40 BFEB C#CCOC(=O)Nc1cc(Cl)ccc1C 4775333 VFRTXLLPFLJJGO-UHFFFAOYSA-N 223.659 2.830 30 40 BFEB CC(C)/C(=N/[N+](C)(C)C)c1ccccc1 4984524 UCOCRPQUUKUJSR-YPKPFQOOSA-N 205.325 2.753 30 40 BFEB in-vitro O=C(/C=C/c1ccccc1[N+](=O)[O-])C1CC1 6926815 UUUUCZDRDYDZDG-BQYQJAHWSA-N 217.224 2.587 30 40 BFEB Cc1c(C(=O)O[C@@H](C)C#N)oc2c(F)cccc12 8545418 OYAMTUFESGEJBG-ZETCQYMHSA-N 247.225 2.949 30 40 BFEB O/N=C(\c1ccc(O)cc1)c1ccc(F)cc1 16400125 VJHHPJYOQKSWTR-SQFISAMPSA-N 231.226 2.758 30 40 BFEB CCc1c(Br)cccc1C#N 49582124 FOSAFYKPMWNNNT-UHFFFAOYSA-N 210.074 2.883 30 40 BFEB CC(C)CCC(=O)N[C@H](C#N)c1ccccc1F 71889057 DOTNJKVWBISVOW-CYBMUJFWSA-N 248.301 2.943 30 40 BFEB Cc1cc(/C=N/O)cnc1Nc1ccccc1 72222265 PBGMASHRFXWOMR-OQLLNIDSSA-N 227.267 2.942 30 40 BFEB Cc1cc2c(cc1C#N)ncn2[C@H]1CCCCO1 95630769 CCQPCCTXUSPAEZ-CQSZACIVSA-N 241.294 2.916 30 40 BFEB C[C@@](CO)(NCCCCC#N)C1CCCCC1 96420067 GRWMYIGSHKZPKC-AWEZNQCLSA-N 238.375 2.601 30 40 BFEB C=CCc1cc(C(=O)NC(C)C)ccc1OC 408705278 BBNWTXUZLODDIZ-UHFFFAOYSA-N 233.311 2.562 30 40 BFEB c1ccc2sc(SC[C@@H]3CO3)nc2c1 97414 OXLSQBAQJGFJTJ-ZETCQYMHSA-N 223.322 2.787 30 40 BFEB O=[N+]([O-])c1cccc(/N=C/c2ccncc2)c1 297046 XWCLLBLSKAZUBQ-NTEUORMPSA-N 227.223 2.740 30 40 BFEB C=CCNC(=O)c1cccc2ccccc12 5899210 MNDXIAYSFXOWKG-UHFFFAOYSA-N 211.264 2.756 30 40 BFEB CCCC/C(C=O)=N\Nc1ccccc1 15938374 HPXYCGKXITVUDB-WYMLVPIESA-N 204.273 2.844 30 40 BFEB C=CCNC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1 44905016 PRLMWBHWXJSNJM-CQSZACIVSA-N 247.338 2.763 30 40 BFEB CCCCc1nc(CN(CC#N)C2CC2)cs1 58431196 WAGNIZKGGIDLPE-UHFFFAOYSA-N 249.383 2.974 30 40 BFEB C[C@H]1C[C@H](c2ccc(F)cc2)CN1CC#N 76811582 NOJHQCNRNULPKZ-JQWIXIFHSA-N 218.275 2.527 30 40 BFEB C=C(C)C(=O)c1ccccc1C(=O)OCC 309193572 QTXLNYVHXMGSMC-UHFFFAOYSA-N 218.252 2.622 30 40 BFEB Cc1ccc(-c2ccc(C=NO)o2)cc1C(=O)O 408850574 OINYZXNSJRINAA-UHFFFAOYSA-N 245.234 2.761 30 40 BFEB COC(=O)Nc1sc2c(c1C#N)CCCC2 3162942 XOLIWKFHMCRDCQ-UHFFFAOYSA-N 236.296 2.677 30 40 BFEB C[C@H]1C[C@H](C)CN([C@H]2/C(=N/O)[C@H]3CC[C@@H]2C3)C1 16608496 APPXPFIAWDFJGB-DRLHUHSNSA-N 236.359 2.593 30 40 BFEB Cc1nc(C#N)c(NCCc2ccccc2)o1 26688718 FSKBEICRFZDSBN-UHFFFAOYSA-N 227.267 2.509 30 40 BFEB CN1CCC/C1=C\C(=O)c1ccc(F)cc1 32936446 KVMMNQIIRKTVHB-FMIVXFBMSA-N 219.259 2.618 30 40 BFEB N#CC1(c2cccc(F)c2)CCC(=O)CC1 77324644 BFLZLPZXLOXUHM-UHFFFAOYSA-N 217.243 2.730 30 40 BFEB CC/C=C(/C)C(=O)Nc1cc(C#N)ccc1O 95443680 UPSLWFQMOVYFBP-WTKPLQERSA-N 230.267 2.559 30 40 BFEB COCC[C@H](NCC#N)c1ccc(Cl)cc1 96492416 ZTRAHQQDJKHGIA-LBPRGKRZSA-N 238.718 2.531 30 40 BFEB CC(C)(C#N)CCCn1nnnc1C1CCCC1 97011117 ICBBXMLLVIESBG-UHFFFAOYSA-N 247.346 2.661 30 40 BFEB C=CCCC(=O)c1cccc(N(C)C)c1 160430694 QREAIVXVGVBUHK-UHFFFAOYSA-N 203.285 2.902 30 40 BFEB Cc1csc(-n2c(C)cc(C#N)c2C)n1 223719229 MIOFWRQUBCHVCS-UHFFFAOYSA-N 217.297 2.731 30 40 BFEB CSc1nc(-c2cccnc2)ccc1C#N 523370 SJZQEZBXADQUQT-UHFFFAOYSA-N 227.292 2.737 30 40 BFEB Cc1cccc(/N=C/c2ccc(O)cc2)n1 12341514 VUKJYEIKSVJRKV-NTEUORMPSA-N 212.252 2.846 30 40 BFEB C(#Cc1ccccc1)CNCc1cccs1 16451171 YOINQXJNUZZOIL-UHFFFAOYSA-N 227.332 2.889 30 40 BFEB C=CCNC(=O)[C@H](CC)Oc1cccc(C)c1C 30758268 RKKPKUMCPPSNPJ-ZDUSSCGKSA-N 247.338 2.763 30 40 BFEB C=C(Cl)CN1CCC[C@H]1CN1CCCCC1 69607979 JRCOGXVVRMAVPL-ZDUSSCGKSA-N 242.794 2.689 30 40 BFEB O=C(NO)c1cc(Cl)cc(Cl)c1Cl 226289827 NMFRWOFEXSZWMK-UHFFFAOYSA-N 240.473 2.766 30 40 BFEB Cc1cc(N2CCCC2)c(F)cc1C=NO 409371852 AAHYUVDTPCNMIH-UHFFFAOYSA-N 222.263 2.542 30 40 BFEB O=C1ON=C(c2cccs2)/C1=C/c1ccco1 32243 IOZMFGXWDDCMCB-CLFYSBASSA-N 245.259 2.686 30 40 BFEB O=C(C#Cc1ccccc1)C#Cc1ccccc1 3184478 RPDMTPXOTVBOHB-UHFFFAOYSA-N 230.266 2.659 30 40 BFEB C=CCN(CC=C)c1cccc(Cl)n1 42783659 SBGXOEOQIFRMEC-UHFFFAOYSA-N 208.692 2.913 30 40 BFEB CS[C@H]1CCC[C@@H]1N(C)CCCCC#N 76147377 LWKZJABMWPGPEN-RYUDHWBXSA-N 226.389 2.896 30 40 BFEB N#C/C(=N/Nc1ccc(Cl)cc1)C(=O)C1CC1 104245335 GQAPBPRFQIFNNV-WJDWOHSUSA-N 247.685 2.611 30 40 BFEB N#Cc1cc(C=O)cn1-c1ccc(Cl)cc1 223753586 PAGUAQWBELZMFG-UHFFFAOYSA-N 230.654 2.815 30 40 BFEB N#CC1(c2ccc([N+](=O)[O-])cc2)CCCC1 241534 ANLABNUUYWRCRP-UHFFFAOYSA-N 216.240 2.930 30 40 BFEB C=CCNC(=O)CSc1ccccc1Cl 3125516 KHSUXGFPVBKLOX-UHFFFAOYSA-N 241.743 2.734 30 40 BFEB N#Cc1ccc(C(=O)Nc2cccc(F)c2)cc1 3430720 LEOQQFIHIDKSIM-UHFFFAOYSA-N 240.237 2.950 30 40 BFEB O=C1C(=Cc2ccco2)C(=O)[C@@H]2CCCC[C@H]12 102921280 IVEWSCQJZRUAHP-PHIMTYICSA-N 230.263 2.621 30 40 BFEB COC(=O)c1ccc(/N=C/c2cccn2C)cc1 409097597 MNVSITCGWPVPPM-XNTDXEJSSA-N 242.278 2.562 30 40 BFEB CCNC(=S)NN=C(CC(C)C)CC(C)C 5416032 UODFPTGEISZUSM-UHFFFAOYSA-N 243.420 2.919 30 40 BFEB C=CCNC(=O)[C@H](CC)Oc1ccc(C)c(C)c1 44905014 PRLMWBHWXJSNJM-AWEZNQCLSA-N 247.338 2.763 30 40 BFEB N#Cc1cc(Oc2ccccc2C#N)ccn1 61815294 HKRAJHZXIHZLQN-UHFFFAOYSA-N 221.219 2.617 30 40 BFEB C=C(C)C(=O)c1ccc(C(=O)OC)cc1C 309180606 CUKKSZWHNLPSPV-UHFFFAOYSA-N 218.252 2.540 30 40 BFEB CC(=O)Oc1ccc(C(=O)C=C(C)C)cc1 309227400 URSXWAJVQHDKPV-UHFFFAOYSA-N 218.252 2.761 30 40 BFEB C=CCCC(=O)c1ccccc1N(C)C 382687195 GKCNXJDBRGGZGS-UHFFFAOYSA-N 203.285 2.902 30 40 BFEB Cc1ccsc1COc1ncccc1C#N 585655195 WLUNFWIOBVXKKB-UHFFFAOYSA-N 230.292 2.902 30 40 BFEB CCCCCCCNC(C)(C)/C=N/O 3162474 YYBCRELLTLWQPF-JLHYYAGUSA-N 200.326 2.785 30 40 BFEB C=CCNc1ccc([N+](=O)[O-])c2cccnc12 13633021 FFRXPDTWBSTTBR-UHFFFAOYSA-N 229.239 2.741 30 40 BFEB N#C[C@@H](N)c1cccc(Cl)c1Cl 19473979 ISPSTNYXZBXKOU-SSDOTTSWSA-N 201.056 2.517 30 40 BFEB in-vitro C/C=C/C=C/C(=O)Nc1sccc1C#N 40049318 JCMOGVVGJLBBRU-MQQKCMAXSA-N 218.281 2.691 30 40 BFEB C=CCOc1c(Cl)cc(OC)cc1C=O 225272847 SVKPZTNIPMEAPA-UHFFFAOYSA-N 226.659 2.726 30 40 BFEB N#Cc1nc(-c2ccccc2)c2ccccn12 225745099 COGDTVPECRAHGU-UHFFFAOYSA-N 219.247 2.873 30 40 BFEB CCCCCn1nc(CCCC)c(C#N)c1N 225835844 FCMJBNCIUVPERR-UHFFFAOYSA-N 234.347 2.870 30 40 BFEB Cc1cnccc1CCNC1CCC(C#N)CC1 585141608 XYFIFWYTAWQMKV-UHFFFAOYSA-N 243.354 2.605 30 40 BFEB C=CCNCCCCOc1cccc(OC)c1 4568373 YGXWGRBEMLDSDK-UHFFFAOYSA-N 235.327 2.630 30 40 BFEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1)C1CC1 4578168 JHNXFWFFOXWXJA-XYOKQWHBSA-N 219.244 2.793 30 40 BFEB Cc1ccc(/C=N/c2ccccc2C(N)=O)s1 13115156 VIKMQPPCYDUCPA-OVCLIPMQSA-N 244.319 2.906 30 40 BFEB C=CCNC(=O)Cc1c(C)[nH]c2ccc(C)cc12 29055523 MIAKCAZVWDXTQW-UHFFFAOYSA-N 242.322 2.629 30 40 BFEB CCC(=O)[C@H](C#N)c1ccccc1Cl 44268757 WSWCNOMTOVWMLG-SECBINFHSA-N 207.660 2.926 30 40 BFEB Cc1ccc2[nH]c3c(c2c1)CC/C3=N/O 49538574 FQBSVYUVIDQJLF-KAMYIIQDSA-N 200.241 2.601 30 40 BFEB CC(C)CC/N=C(\N)SCC(C)C 60943069 LMFKCKDHZITOAK-UHFFFAOYSA-N 202.367 2.736 30 40 BFEB Cc1ccccc1[C@H](C#N)NC(=O)c1ccoc1 66406191 NKXJBCXPLUTQRI-ZDUSSCGKSA-N 240.262 2.583 30 40 BFEB Cc1nc(N(C)Cc2ccccc2)ccc1C#N 72224431 ZBEUCPBDHARDLS-UHFFFAOYSA-N 237.306 2.898 30 40 BFEB CCOC(=O)[C@@H]1O[C@]1(C)c1cccc(Cl)c1 85657675 YWRCSMUQTFFBJZ-CMPLNLGQSA-N 240.686 2.517 30 40 BFEB OCCCC#Cc1cc(F)cc(Cl)c1 95633341 NIZUFECUXRFMCX-UHFFFAOYSA-N 212.651 2.603 30 40 BFEB COc1ccccc1[C@@H](CC(C)C)NCC#N 96492323 KHVKVQHGNSAXFC-CYBMUJFWSA-N 232.327 2.896 30 40 BFEB CC(C)(C)OC(=O)N1CC[C@H](C#N)C(C)(C)C1 217078292 BLHMMKLYSVDYKH-SNVBAGLBSA-N 238.331 2.793 30 40 BFEB C[C@H](N)[C@H](C#N)/N=N/c1ccccc1Cl 5515658 SDTSNYVMCFDKPY-ATTUNGCDSA-N 222.679 2.663 30 40 BFEB O/N=C1\CCCC[C@H]1[C@@H](NO)c1ccccc1 16957345 RJSSJDYQRKHLLZ-BHNPMLMFSA-N 234.299 2.727 30 40 BFEB COc1cccc([C@H](C#N)N2CCCCC2)c1 19934320 OACWYKQOEJKMRK-AWEZNQCLSA-N 230.311 2.746 30 40 BFEB COc1cccc(C(F)(F)F)c1C#N 38529851 OWJIFFRRYYZZTM-UHFFFAOYSA-N 201.147 2.586 30 40 BFEB CC[C@](C)(O)C#Cc1cccc(Cl)c1 95631768 LDIIZMCRVYPGCK-LBPRGKRZSA-N 208.688 2.853 30 40 BFEB COc1ccccc1/C=N/N1CCCCCC1 1627402 KJFAUMYHFWJGHH-NTCAYCPXSA-N 232.327 2.905 30 40 BFEB N#CCc1cc2ccccc2nc1Cl 11985259 KEEDGMFXMMMZEY-UHFFFAOYSA-N 202.644 2.954 30 40 BFEB in-vitro N#Cc1ccccc1CSc1nncs1 12911450 CNAUHGITYQEFCP-UHFFFAOYSA-N 233.321 2.702 30 40 BFEB C[C@H](C#N)CNCC[C@H](C)c1ccccc1 54181874 TWQGHZWRPWTFBH-OLZOCXBDSA-N 216.328 2.929 30 40 BFEB N#CCCCOc1ccc(F)c(F)c1F 95733855 BKWDMNGJSGCWOI-UHFFFAOYSA-N 215.174 2.786 30 40 BFEB COCCCC(=O)Oc1c(C)cc(C#N)cc1C 96425812 PDQVZIJKEUDJSE-UHFFFAOYSA-N 247.294 2.507 30 40 BFEB C1=C/C(=C2/C=Cc3ccccc3O2)[S+]=C1 409415765 DGNKSGZXXPCCGQ-OUKQBFOZSA-N 213.281 2.758 30 40 BFEB CC(C)(C)OC(=O)N1CC2(CCC[C@@H]2C#N)C1 953067597 IUMJTRGMPFSYRF-SNVBAGLBSA-N 236.315 2.547 30 40 BFEB CC(C)(C#N)C(=O)N1CC[C@@H](c2ccccc2)C1 50273094 AAQFFKLBQIAKEG-CYBMUJFWSA-N 242.322 2.552 30 40 BFEB C#CCn1c(C)nc(-c2cccc(Cl)c2)c1N 100761372 BRJNWURNOBTYRY-UHFFFAOYSA-N 245.713 2.727 30 40 BFEB COc1cc(Cl)c(C)cc1NC(=O)CS 111834 FEQNBZVPWDRKFW-UHFFFAOYSA-N 245.731 2.525 30 40 BFEB C=C(C)Cn1c(SC)nc2ccccc2c1=O 234107 PMJDNTCCOPJSEA-UHFFFAOYSA-N 246.335 2.695 30 40 BFEB C=C(CSCC(=O)O)c1ccccc1 1743752 WOWFMJSOQZSJGT-UHFFFAOYSA-N 208.282 2.518 30 40 BFEB CC1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 4905967 ARQUGHRNDSAGGM-UHFFFAOYSA-N 245.282 2.703 30 40 BFEB O=C1/C(=N\O)c2ccccc2-c2ccccc21 17285134 SFWCXJFWZCIEFJ-SQFISAMPSA-N 223.231 2.728 30 40 BFEB COc1cc(Br)cc(C)c1C#N 38540921 PHLGGJVINWUJRP-UHFFFAOYSA-N 226.073 2.638 30 40 BFEB CC(C)C(=O)Nc1ccc(C#N)c(Cl)c1 68682804 MNMGMEFUEAURLX-UHFFFAOYSA-N 222.675 2.806 30 40 BFEB N#Cc1cccc(NC(=O)N[C@@H]2CC=CCC2)c1 76779701 UHCYMFONALHDHV-GFCCVEGCSA-N 241.294 2.788 30 40 BFEB O=[N+]([O-])c1ccc(/N=C\[C@@H]2CCC=CO2)cc1 104365880 YVNSLTWZBTYCNC-VWLVURMCSA-N 232.239 2.990 30 40 BFEB Cc1cc(C(=O)O)ccc1/N=C/c1cccn1C 409102793 UDHFSVTWEZMDGI-OQLLNIDSSA-N 242.278 2.782 30 40 BFEB C=CCOC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 1608554 HWLGQBWMTVDBMJ-WDEREUQCSA-N 208.301 2.954 30 40 BFEB CC(C)(C)/N=C/c1cc2ccccc2[nH]c1=O 5026485 LIQZOJLNAXKEDV-OQLLNIDSSA-N 228.295 2.746 30 40 BFEB CC(C)=N/N=c1\sc2ccccc2n1C 5603524 RPVXHIUJWZMKNB-QBFSEMIESA-N 219.313 2.536 30 40 BFEB COc1ccc(/C(Cl)=C/C=[N+](C)C)cc1 15022379 VXXJGHGAWXHGNO-WQLSENKSSA-N 224.711 2.618 30 40 BFEB CC(=O)/C=C(/O)c1c(C)[nH]c2ccccc12 16952822 FDCJIQPOWYVSHN-KPKJPENVSA-N 215.252 2.964 30 40 BFEB C#CCNC(=O)c1cc2c(s1)CC[C@@H](CC)C2 22761307 YCCSUHKCLRVYHS-SNVBAGLBSA-N 247.363 2.626 30 40 BFEB CCC[C@@H](C)Nc1ccc(N)cc1C#N 41020310 DRNOKHSJTWBIRD-SECBINFHSA-N 203.289 2.741 30 40 BFEB CCOc1ccc(NC(=O)C(C)(C)C#N)cc1 42091532 DQXHLKTZSWHPHJ-UHFFFAOYSA-N 232.283 2.574 30 40 BFEB Cc1cc(C#N)cnc1N1CCc2ccccc2C1 72222839 MPTAUKJZQYKNGG-UHFFFAOYSA-N 249.317 2.824 30 40 BFEB C=CCOC(=O)c1ccc(-c2cccc(N)c2)o1 73640319 CUVHMXABHJZYLV-UHFFFAOYSA-N 243.262 2.872 30 40 BFEB Cc1cc(C)cc(C#C[C@H](O)C(C)C)c1 95633070 NVUMVSQJBBIHRL-AWEZNQCLSA-N 202.297 2.672 30 40 BFEB CCCCCCCC(=O)N[C@@H](C(=O)O)C(C)C 102008452 SZUMGHGZFKDFPU-GFCCVEGCSA-N 243.347 2.572 30 40 BFEB in-vitro C=CCc1c(C)[nH]c2c(OC)cccc2c1=O 3984200 MREMKIFUOFCTEK-UHFFFAOYSA-N 229.279 2.574 30 40 BFEB biogenic N#Cc1cccc(NC(=O)c2ccccc2O)c1 11371524 CRWSEWZNWQIQKJ-UHFFFAOYSA-N 238.246 2.516 30 40 BFEB Cc1ccc(Oc2ncccc2/C=N/O)cc1 13138801 ZZWGPROUKMWALT-OQLLNIDSSA-N 228.251 2.990 30 40 BFEB N#CC1CCN(Cc2cccc(F)c2)CC1 32013269 YLLDUFPFWOTVTL-UHFFFAOYSA-N 218.275 2.561 30 40 BFEB CN(C)c1ccc(C#Cc2cccc(N)c2)cc1 37547746 CITZVTOUMMDOGF-UHFFFAOYSA-N 236.318 2.735 30 40 BFEB CC[C@@](C)(O)C#Cc1cc(C)ccc1C 95633551 YBQFWPNYOKUHPF-CQSZACIVSA-N 202.297 2.816 30 40 BFEB CC(C)/C(N)=N/OCc1ccccc1Cl 95941862 WMVYOOVVZOGCMO-UHFFFAOYSA-N 226.707 2.785 30 40 BFEB O=C(O)C1(C#Cc2ccccc2)[C@H]2CCCC[C@@H]21 100672980 KBBYMOPPZJULCO-KBPBESRZSA-N 240.302 2.929 30 40 BFEB CC[C@]1(C)Cc2nc(Cl)c(C#N)cc2CO1 522013 XUHWEPPDKKDMRE-GFCCVEGCSA-N 236.702 2.848 30 40 BFEB N#Cc1ccccc1C[C@H]1CCCC(=O)C1 2514103 YTGHNPUEYKJZMS-LLVKDONJSA-N 213.280 2.860 30 40 BFEB COc1ccc2nc(/N=C3\CCCN3)sc2c1 2659498 MTGYYBOADJNISY-UHFFFAOYSA-N 247.323 2.718 30 40 BFEB CO[P@@](C)(=O)/C(Cc1ccccc1)=N\O 17254113 NFNSCRWAQXPMNQ-JQPIKURYSA-N 227.200 2.571 30 40 BFEB CC[C@@](C)(O)C#Cc1ccc(F)c(C)c1 95632343 LXTHGDUNYYGQFL-CYBMUJFWSA-N 206.260 2.647 30 40 BFEB Cc1ccc(F)cc1C#C[C@H](O)C(C)C 95632423 ILWSLLSEIZEKQT-ZDUSSCGKSA-N 206.260 2.503 30 40 BFEB COc1ccc2ccc(OC)c(C#N)c2c1 197508165 FSVASCVVFHHKAU-UHFFFAOYSA-N 213.236 2.729 30 40 BFEB CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H]2C#N)C1 216952776 HZWUQHSOFLEGHD-ZWNOBZJWSA-N 236.315 2.547 30 40 BFEB CCOc1ccc(NC(=O)C(C)(C)C)c(C#N)c1 225785448 UXIOVLAIKFQHDZ-UHFFFAOYSA-N 246.310 2.942 30 40 BFEB CC(C)Oc1c(N)cc(C#N)n1C1CCCC1 225874812 DGYMSCGJPPTGIN-UHFFFAOYSA-N 233.315 2.844 30 40 BFEB C=CCOc1ccc(Cl)cc1/C=N/O 38974583 HJIOCUQWOBEZMW-KPKJPENVSA-N 211.648 2.713 30 40 BFEB C=C(C)C1(O)[C@H]2CC[C@@H]1c1ccccc12 45028055 LXEQMQYXEKHOJG-PBWFPOADSA-N 200.281 2.968 30 40 BFEB CC[C@@H]1CN(CCCCC#N)CCS1 76072996 HNVLDJOAMSKXQH-LLVKDONJSA-N 212.362 2.508 30 40 BFEB CSc1nc(Cl)c(C#N)c(NC(C)C)n1 495493 LLMQMOORXJLLNL-UHFFFAOYSA-N 242.735 2.544 30 40 BFEB N#CCCCSc1nnc(-c2ccccn2)o1 4388550 FBSZGYKMWNEYLA-UHFFFAOYSA-N 246.295 2.527 30 40 BFEB C#Cc1cccc(NCc2ccncc2)c1 19876840 AZFIFDCGLHJVPY-UHFFFAOYSA-N 208.264 2.675 30 40 BFEB in-vitro CCN(CC)[C@H](C#N)c1ccc(F)cc1 19934223 MYFBQCNEASUYJR-GFCCVEGCSA-N 206.264 2.732 30 40 BFEB C/C(=N\NC(N)=S)c1ccc(C(C)(C)C)cc1 35104844 JHESMDRAHQLJII-OQLLNIDSSA-N 249.383 2.541 30 40 BFEB CCCN(CCC)c1ncc(/C=N/O)cc1C 72222238 MXOGDSFVALMKJH-XNTDXEJSSA-N 235.331 2.825 30 40 BFEB CC(C)N(C(C)C)[C@H]1/C(=N\O)[C@H]2CC[C@@H]1C2 100965947 MRFLHLYWXUCRMH-DDAWZUMGSA-N 224.348 2.734 30 40 BFEB O=[N+]([O-])c1ccccc1/C=N/c1ccccn1 101670252 FJJSFXAAPJZFHE-NTEUORMPSA-N 227.223 2.740 30 40 BFEB O=C(/C=C\c1ccccc1)[C@]12CCC[C@@H]1O2 109334606 NZXHLNNSFKUNFN-WFNIXHHISA-N 214.264 2.590 30 40 BFEB C(=N/N1CCCCCC1)\c1cccs1 1574978 FRPQKUWSXLTFKR-ZRDIBKRKSA-N 208.330 2.958 30 40 BFEB CC1=CC(=NC(=O)c2ccccc2)C=C(C)C1=O 3120936 MMAAXSSQLCASML-UHFFFAOYSA-N 239.274 2.743 30 40 BFEB CC1(C)C[C@@H](Nc2ccccc2)[C@H](C#N)C1=O 5607524 JEQBRSULBAZRLJ-NWDGAFQWSA-N 228.295 2.606 30 40 BFEB N#C[C@]12CCCC(=O)N1c1ccccc1S2 5765555 NJXIJTHQKPOMKI-GFCCVEGCSA-N 230.292 2.529 30 40 BFEB CC12C[C@@H]3C[C@H](C1)CC(C(/C=N/O)=N/O)(C3)C2 12341674 SRKGMMGPXWMXFH-IMNGKVSUSA-N 236.315 2.883 30 40 BFEB CC(C)(C)OC(=O)NCC1CCC(C#N)CC1 16697207 KOFJDBKWKCOOLP-UHFFFAOYSA-N 238.331 2.841 30 40 BFEB C[C@@H]1CCC[C@@H](Nc2ccc(C#N)cn2)C1 37251668 AHQYOMGHFQAWQW-ZYHUDNBSSA-N 215.300 2.944 30 40 BFEB CC[C@@](C)(O)C#Cc1ccc(F)cc1C 95632296 LXDWPPRRBJOSTK-CYBMUJFWSA-N 206.260 2.647 30 40 BFEB C/C=C/CC1=C(O)C(=O)c2ccccc2C1=O 8627344 VKFLFQDQIQVZMK-NSCUHMNNSA-N 228.247 2.844 30 40 BFEB N#CCc1cc(Cl)c(N)c(Cl)c1 40448115 VWGWNXCEKOBATM-UHFFFAOYSA-N 201.056 2.642 30 40 BFEB in-vitro Cc1ccc(CCC(=O)NC[C@@H](C)C#N)c(C)c1 71893479 QJVHRLBGZWLIDD-LBPRGKRZSA-N 244.338 2.512 30 40 BFEB C[C@H](C=O)c1ccc(OC(F)(F)F)cc1 84192453 GQETUZKVBQSAIA-SSDOTTSWSA-N 218.174 2.888 30 40 BFEB FC(F)COC(F)(F)[C@H](F)C(F)(F)F 103538415 ZECYXTJLYXGPOQ-GSVOUGTGSA-N 232.070 2.761 30 40 BFEB in-vitro C=CCCC(=O)c1cc(F)ccc1OC 106889618 SGIYWAZPSZELSL-UHFFFAOYSA-N 208.232 2.983 30 40 BFEB C=CCNC(=S)Nc1ccc2sncc2c1 225171545 DCXBJBHFSPVYQY-UHFFFAOYSA-N 249.364 2.769 30 40 BFEB C#CC[N+](CC)(CC)CC#Cc1ccccc1 1252155 DKQZGWKDCSGIRQ-UHFFFAOYSA-N 226.343 2.528 30 40 BFEB C=CCSc1nc(C)c(CC(C)C)c(=O)[nH]1 27532593 KMUCNJOBIPZQMR-UHFFFAOYSA-N 238.356 2.555 30 40 BFEB Cc1cccc(/C=C/C(=O)c2cnn(C)c2)c1 49151407 PNCNCCFMPJFCHM-VOTSOKGWSA-N 226.279 2.625 30 40 BFEB Cc1ccc([C@H](C#N)C(=O)C(C)C)cc1 49812272 FMHIJLLRUXZPRD-LBPRGKRZSA-N 201.269 2.827 30 40 BFEB C=C1C(=O)O[C@H]2[C@@H]3O[C@]3(C)CC/C=C(/C)CC[C@H]12 71789706 KTEXNACQROZXEV-ZKSNVIRWSA-N 248.322 2.762 30 40 BFEB biogenic,in-vitro O=C1c2ccccc2/C(=N\O)[C@@H]1c1ccccc1 98174786 FZRRFJVANVZWRS-YZGLPLCXSA-N 237.258 2.845 30 40 BFEB CC(C)C(=O)N1c2ccccc2[C@@H](C=O)C[C@@H]1C 217549691 ITIXEQRDDZXHDL-NWDGAFQWSA-N 245.322 2.750 30 40 BFEB CC[C@@H](C)n1c(C#N)cc(N)c1N1CCCCC1 225865147 GERYTGBMRFHGLP-LLVKDONJSA-N 246.358 2.903 30 40 BFEB C[C@H]1CCCC[C@@H]1Oc1cncc(C#N)c1 242648348 QTMMYRLZPKKTIZ-GWCFXTLKSA-N 216.284 2.911 30 40 BFEB C=CCCN1CCC[C@@H](COc2ccncc2)C1 1776001543 ZDPYTRZLJPZEKL-CQSZACIVSA-N 246.354 2.749 30 40 BFEB O=[N+]([O-])c1ccc(F)c(/N=C/c2cccnc2)c1 346958 VCFNANVIZPTPBG-OVCLIPMQSA-N 245.213 2.880 30 40 BFEB CCCCCCCCC(=O)N1CCOCC1 1666608 NBRDJXSTGSUITP-UHFFFAOYSA-N 227.348 2.596 30 40 BFEB in-vitro C=C(C)C[C@@H](C)OC(=O)C[N+]1(C)CCCCC1 1813583 GFUNUPBLVGVNED-CYBMUJFWSA-N 240.367 2.515 30 40 BFEB COc1ccccc1C(=O)c1cccc(C#N)c1 2574621 ZFGJNPBKNXWHML-UHFFFAOYSA-N 237.258 2.798 30 40 BFEB CCOC(=O)[C@@]1(CC)OC12CCC(C)CC2 86166144 PZCJHIDKOGTIQS-KGPNIALWSA-N 226.316 2.677 30 40 BFEB C=CCC[C@H](CC)N[C@@H](C)c1cnn(C)c1 96478358 XEQVQSOISNRFKL-AAEUAGOBSA-N 221.348 2.816 30 40 BFEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N/O)[C@@H]2[n+]1ccccc1 100731637 GOJSQMBDTXKYPT-CNVSRZSCSA-O 245.346 2.802 30 40 BFEB COc1ccc(NC(=O)C(C)(C)C)c(C#N)c1 225785413 MJLSEABXWPVMAD-UHFFFAOYSA-N 232.283 2.551 30 40 BFEB C=CCn1c(Cc2ccco2)ccc1C(=O)O 226031629 AGTNVEIMPXKEKU-UHFFFAOYSA-N 231.251 2.556 30 40 BFEB CSCCC(=O)c1ccc(F)c(C#N)c1 308826634 RPJBWSNAOVMSDD-UHFFFAOYSA-N 223.272 2.633 30 40 BFEB CCC/C=C(/CC)[C@H]1O[C@H]1C(=O)OC(C)C 4803862 COVXIMCIMZBJSV-NRCZCXPTSA-N 226.316 2.842 30 40 BFEB C=CCOc1nc2c(C)cccc2cc1/C=N/O 36624772 YGUUCHLRTNKZRF-OQLLNIDSSA-N 242.278 2.916 30 40 BFEB CC(=O)[C@@H](C#N)c1cccc(C(F)(F)F)c1 36931289 FHPOSGFPGROXIH-SNVBAGLBSA-N 227.185 2.902 30 40 BFEB N#CC1(c2ccc([N+](=O)[O-])cc2)CCC1 67802436 JHOHTGSVQASAEI-UHFFFAOYSA-N 202.213 2.540 30 40 BFEB N#Cc1cc(Cl)c(O)nc1-c1ccccc1 96510637 KWKOZJSLEFKUSF-UHFFFAOYSA-N 230.654 2.979 30 40 BFEB N#C[C@@H]1[C@H](C#N)[C@H]2CC[C@H]1[C@@H]1[C@@H]2N1c1ccccc1 102865936 ZBELJUULTIMALZ-GYABIVTFSA-N 249.317 2.563 30 40 BFEB CC[C@@H](CC#N)OC(=O)c1cscc1C 187949832 YZHVHBANGPHSOD-VIFPVBQESA-N 223.297 2.906 30 40 BFEB CCCCC[C@@H]1CC(=O)C=C(C)[C@@H]1C(=O)OC 1782950 UCVHXLNJLVTIKO-YPMHNXCESA-N 238.327 2.891 30 40 BFEB CSC(=S)N/N=C(\C)c1cccs1 5410394 RELVETABMLPGIV-RMKNXTFCSA-N 230.383 2.710 30 40 BFEB O/N=C1\CCC=CCC[C@@H]1N1CCCCC1 16138056 SIAYGCUYIOLJNN-DYUVYCLMSA-N 222.332 2.801 30 40 BFEB CC1=C(/C(C)=N\N)Sc2ccccc2N1 17176665 BKNSOYCDXKCGDE-ZSOIEALJSA-N 219.313 2.770 30 40 BFEB CC(C)=C[C@@H]1[C@H](C(=O)N(C)CCC#N)C1(C)C 58309408 IFOGRFAUJJLLKU-VXGBXAGGSA-N 234.343 2.597 30 40 BFEB COc1ccc(C[C@@H](C)S)cc1OC 70711757 CWMZSJPGTFOMSQ-MRVPVSSYSA-N 212.314 2.565 30 40 BFEB N#CCC1(COC(=O)C2CCCCC2)CC1 76090673 YDXLLYGUMJDPDF-UHFFFAOYSA-N 221.300 2.804 30 40 BFEB Cc1ccc(C[S@@](=O)CCCC#N)cc1C 97097888 SLOVQOBWWPTHCS-MRXNPFEDSA-N 235.352 2.856 30 40 BFEB C=CCN(CC=C)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 102583534 VQPSPKAMDKSVDU-RWMBFGLXSA-N 219.328 2.623 30 40 BFEB C[C@H]1CCC[C@H](Oc2cncc(C#N)c2)C1 242539059 JNCDTVCFMCUZJZ-JQWIXIFHSA-N 216.284 2.911 30 40 BFEB N#CC1(C(=O)N2CCCCCCC2)CCCC1 44293042 BMIQPLIETONFPZ-UHFFFAOYSA-N 234.343 2.863 30 40 BFEB CC(C)C/N=C(/N)Nc1ccc2c(c1)CCC2 52069523 KUGIKYMLAKADEG-UHFFFAOYSA-N 231.343 2.558 30 40 BFEB N#Cc1ccccc1NC(=O)/C=C/c1ccccn1 71795756 QBOWXMAIOCNBCI-CMDGGOBGSA-N 249.273 2.605 30 40 BFEB CC(C)(C)Sc1ccc(/C=N/O)cn1 72225736 HNARVZYCVLNLHU-KPKJPENVSA-N 210.302 2.780 30 40 BFEB C#C[C@H](Cc1ccccc1)OC(=O)CCC=C 89893939 AGOXCNWYFMFGQV-CQSZACIVSA-N 228.291 2.740 30 40 BFEB N#C/C(=N\Nc1ccccc1)C(=O)c1ccccc1 95628201 BSUQPKCNPVQHEV-NBVRZTHBSA-N 249.273 2.861 30 40 BFEB O/N=C1/CCC=CCC[C@@H]1Sc1ncccn1 100964712 HUHCAQVIYDUETR-PQVUFOGCSA-N 249.339 2.898 30 40 BFEB CCc1ccc(/N=C2/SCC(=O)N2CC)cc1 11535539 DFWHMTVXEXAPGH-BUHFOSPRSA-N 248.351 2.832 30 40 BFEB N#C[C@@H](c1ccc(O)cc1)C1(O)CCCCC1 22060693 HVHRRFPUUJSPLA-ZDUSSCGKSA-N 231.295 2.695 30 40 BFEB in-vitro C=CCSc1nnc(-c2cccnc2)s1 27579280 UUPDIBIVOYNJAI-UHFFFAOYSA-N 235.337 2.878 30 40 BFEB CCN(C(=O)Nc1cccc(C#N)c1)C1CC1 43329226 YSMBRZOPTPRNJK-UHFFFAOYSA-N 229.283 2.574 30 40 BFEB CCn1cc(C(=O)/C=C/c2cccc(O)c2)cn1 49274835 CXYBYJQAAPZRRS-VOTSOKGWSA-N 242.278 2.505 30 40 BFEB N#Cc1cncc(SC(F)(F)F)c1 91252744 KVTYOYSMIKSKNU-UHFFFAOYSA-N 204.176 2.565 30 40 BFEB Cc1cc(Sc2cccc(C#N)c2)ncn1 95412190 SCELFKDIGFEBIR-UHFFFAOYSA-N 227.292 2.808 30 40 BFEB Cc1cc(C)cc(C#C[C@@H](O)C(C)C)c1 95633071 NVUMVSQJBBIHRL-CQSZACIVSA-N 202.297 2.672 30 40 BFEB COc1cc(OC)cc(C(=O)C=C(C)C)c1 169155028 VTSAVTUPALHEAF-UHFFFAOYSA-N 220.268 2.853 30 40 BFEB O=C(O)c1cccc(N/N=C/c2cccs2)c1 5163291 NNIKHVCKOCYUQS-MDWZMJQESA-N 246.291 2.892 30 40 BFEB Nc1ccccc1C#CCOc1ccccc1 5338462 VZQMQJHXBPWASV-UHFFFAOYSA-N 223.275 2.699 30 40 BFEB O=C(/C=C/c1ccccc1C(=O)O)c1ccc[nH]1 5575332 UOKIJEKXWGCFBI-BQYQJAHWSA-N 241.246 2.609 30 40 BFEB C[C@H]1C/C(=N\O)[C@H](C)CN1Cc1ccccc1 9330860 VJXBICUWSHNVFV-HAPAKHMDSA-N 232.327 2.747 30 40 BFEB O=C1C2=C(CCCC2)C(=O)c2ccccc21 18179129 OTBHDFWQZHPNPU-UHFFFAOYSA-N 212.248 2.936 30 40 BFEB CC(C)(C)C(=O)/C(=C/C(=O)O)C(C)(C)C 31778169 GVJDDIHGDNPQGW-FPLPWBNLSA-N 212.289 2.659 30 40 BFEB Cc1ccccc1C(=O)NCC#Cc1ccccc1 57547684 ZOCSWQAYNFTHBB-UHFFFAOYSA-N 249.313 2.777 30 40 BFEB C[C@@H](c1cccnc1)N(C)Cc1ccc(C#N)o1 97375298 SWNADYMZACLQJP-NSHDSACASA-N 241.294 2.739 30 40 BFEB CCCCCS/C(N)=N/N=C(C)C 4566310 HTGDBVXOEWNMMI-UHFFFAOYSA-N 201.339 2.620 30 40 BFEB O=C1CCCC2=Nc3ccccc3NC=C12 16958091 HPHJJMGCDXAARC-UHFFFAOYSA-N 212.252 2.822 30 40 BFEB C=C(C)COc1ccc(C(C)(C)O)cc1 96496770 XIICKFZIWPIZAY-UHFFFAOYSA-N 206.285 2.869 30 40 BFEB Cl/N=C1/C=C/C(=N\Cl)C=C1Cl 104224615 IIGYYCVYWIGCPW-UTCXXODYSA-N 209.463 2.869 30 40 BFEB C=CCN(C)C(=O)N[C@@H]1CCc2ccc(F)cc21 195570640 DZIUMMBZBZEISL-CYBMUJFWSA-N 248.301 2.640 30 40 BFEB O=C(C#Cc1ccccc1)C(Cl)(Cl)Cl 196738580 BTKQFSQHOYIURM-UHFFFAOYSA-N 247.508 2.977 30 40 BFEB CCCCCC1(C)C(C#N)(C#N)C1(C#N)C#N 1643324 UKZJCVMDJAFGHL-UHFFFAOYSA-N 226.283 2.654 30 40 BFEB CC[C@]1(c2ccccc2)O[C@H]1C(=O)OCC(C)C 1734119 LOADONCHAMQULE-DZGCQCFKSA-N 248.322 2.890 30 40 BFEB CC[C@@]1(c2ccccc2)O[C@H]1C(=O)OCC(C)C 1734120 LOADONCHAMQULE-ZFWWWQNUSA-N 248.322 2.890 30 40 BFEB N#Cc1nc(CF)oc1NCc1ccccc1 3159772 MYIUEWSKJFYIMW-UHFFFAOYSA-N 231.230 2.628 30 40 BFEB C[C@H]1OC2=C(C(=O)c3ccccc3C2=O)C1(C)C 4934731 XWPLFOWMVZGBOX-MRVPVSSYSA-N 242.274 2.765 30 40 BFEB biogenic CCOC(=O)/C(=C\c1ccc(C)cc1)C(C)=O 5723024 DJAQTUIQHBGIGC-LCYFTJDESA-N 232.279 2.531 30 40 BFEB C=C(C)Cc1c(C)nc(SCCC)[nH]c1=O 8767763 BBMLUHQGSOEMGO-UHFFFAOYSA-N 238.356 2.699 30 40 BFEB CC(C)(CO)/N=C/c1ccc(Cl)cc1 12341592 NZAYXMRGZVTQMW-NTUHNPAUSA-N 211.692 2.530 30 40 BFEB O=C1/C(=C/c2ccccc2F)Cn2cccc21 25062390 OCODLGYECXRLAA-DHZHZOJOSA-N 227.238 2.907 30 40 BFEB Cc1ccccc1[C@H](C#N)C(=O)C(C)C 36930511 CQEYZNWRNOMFDL-LBPRGKRZSA-N 201.269 2.827 30 40 BFEB C#CC[C@@](C)(O)c1cccc(Br)c1 63076734 CTSKPUMKMYFJKS-LLVKDONJSA-N 239.112 2.680 30 40 BFEB N#CCc1c(F)ccc(Br)c1F 83593254 IWAMIZNQNATIKJ-UHFFFAOYSA-N 232.027 2.793 30 40 BFEB in-vitro COc1cccc2c(C)cc(CC#N)nc12 95096697 BOFKGTNJQGTEAA-UHFFFAOYSA-N 212.252 2.618 30 40 BFEB CCn1nc(C)c(/N=C/c2ccccc2O)c1C 1100272 IPWKXRIVFMMUAD-OQLLNIDSSA-N 243.310 2.976 30 40 BFEB CCOC(=O)/C(=C/c1ccc(C)cc1)C(C)=O 1625091 DJAQTUIQHBGIGC-UKTHLTGXSA-N 232.279 2.531 30 40 BFEB CC(C)CCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1 1734151 OHUOMSSDXQOJAR-DZGCQCFKSA-N 248.322 2.890 30 40 BFEB CCCCOc1ccc(C#N)cc1OC 2763789 GTVWJLHIMNZHPD-UHFFFAOYSA-N 205.257 2.746 30 40 BFEB O=[N+]([O-])c1cccc(-c2ccc(/C=N/O)o2)c1 4852320 OQNFGUGJYRQEJL-KPKJPENVSA-N 232.195 2.663 30 40 BFEB C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](Br)C1 36405721 PTFBZZASPUAQGZ-UTLUCORTSA-N 233.149 2.877 30 40 BFEB N#C[C@@H](C(=O)C1CC1)c1ccccc1Cl 44268761 JNFDHOHQAQWMGZ-SNVBAGLBSA-N 219.671 2.926 30 40 BFEB C=C(CN(C)C)C(=O)c1ccccc1Cl 73386098 RHRHXPIFODWSAP-UHFFFAOYSA-N 223.703 2.641 30 40 BFEB C#Cc1ccc(C#Cc2ccc(C(=O)O)cc2)cc1 82049687 IGDGMIRIOMACJD-UHFFFAOYSA-N 246.265 2.766 30 40 BFEB COc1ccc(CC2(C#N)CCOCC2)cc1 85652888 FGORSRKTURQGIR-UHFFFAOYSA-N 231.295 2.558 30 40 BFEB N#C[C@@H]1[C@H](C#N)[C@H]2CC[C@H]1[C@@H]1[C@H]2N1c1ccccc1 102865927 ZBELJUULTIMALZ-FXLOMCQVSA-N 249.317 2.563 30 40 BFEB CC(C)(C)C(=O)/C=C1/Nc2ccccc2OC1=O 106673478 IBBQAWOGIGVTQC-CSKARUKUSA-N 245.278 2.517 30 40 BFEB CCOc1cccc(C#N)c1OC(C)C 225289570 XFXUOQPNCADLEJ-UHFFFAOYSA-N 205.257 2.744 30 40 BFEB C[C@@H](C1CC1)N(CCC#N)C[C@H]1CCC=CO1 252539682 OIOUTVUEKAZJHD-GXTWGEPZSA-N 234.343 2.693 30 40 BFEB C=CC[C@H]1CC[C@@](CC=C)(C(=O)OCC)C1=O 1670409 ZGBUVLVLPHQJOR-SMDDNHRTSA-N 236.311 2.667 30 40 BFEB FC(F)C(F)(F)C(F)(F)C(F)F 1847479 LKLFXAVIFCLZQS-UHFFFAOYSA-N 202.044 2.787 30 40 BFEB in-vitro Cc1nc(SCC#N)c(C#N)c(C)c1Cl 3618826 COSBMRPKBVHLRM-UHFFFAOYSA-N 237.715 2.839 30 40 BFEB N#CCCCc1cccc2c1OC(F)(F)O2 34597792 XSBGCASZAAERSV-UHFFFAOYSA-N 225.194 2.854 30 40 BFEB CCN(C[C@@H](C)C#N)C(=O)C1CCCCC1 42296008 VETXLBCRWAZVTN-NSHDSACASA-N 222.332 2.575 30 40 BFEB CCC(=O)OCC#Cc1cc(C)ccc1C 95633569 PYCKKWPOKKTXCK-UHFFFAOYSA-N 216.280 2.608 30 40 BFEB N#CCC(=O)c1cc(F)ccc1C(F)(F)F 169801617 QPAUBGUCCOGEJX-UHFFFAOYSA-N 231.148 2.941 30 40 BFEB C=C(Br)Cc1cc(F)ccc1O 199552711 AMPPQRFGYJLKNH-UHFFFAOYSA-N 231.064 2.982 30 40 BFEB C=CCOc1ccc(CNC[C@H]2CCCO2)cc1 2178130 XVHCPCSBBWUDHC-OAHLLOKOSA-N 247.338 2.520 30 40 BFEB Fc1ccc(N/N=C/c2cccnc2)cc1 6242730 SUBCQWOUAVQDIU-OQLLNIDSSA-N 215.231 2.667 30 40 BFEB N#Cc1cccnc1N1CCc2sccc2C1 19432506 MBPBUYDROTVWTM-UHFFFAOYSA-N 241.319 2.577 30 40 BFEB N#Cc1cccc(COC(=O)c2ccsc2)c1 25118962 PFYYWUIIMOVGBI-UHFFFAOYSA-N 243.287 2.977 30 40 BFEB Cc1ccc(C#N)c(N(C)Cc2ccccc2)n1 43398991 YVHSKXPHNAHZBO-UHFFFAOYSA-N 237.306 2.898 30 40 BFEB CN(c1ccccc1)c1ccc(/C=N/O)cn1 72225317 UNWNPDPLRAHIIS-XNTDXEJSSA-N 227.267 2.658 30 40 BFEB C[C@@H](CO)CS[C@H](C)c1ccc(C#N)cc1 76092908 KSXICNVQXDHFLC-WDEREUQCSA-N 235.352 2.981 30 40 BFEB CC(=NO)c1cccc(C(F)(F)F)c1 252462205 QQGVWMIRCZEUBB-UHFFFAOYSA-N 203.163 2.904 30 40 BFEB Cc1ccc(C(=O)/C=C/n2ccc(=N)cc2)cc1 409415748 ZNGPJJAGBYHAKN-DHZHZOJOSA-N 238.290 2.630 30 40 BFEB O=C1c2ccccc2C[C@]12O[C@@H]2c1ccccc1 159883 BPRSFVHQRNUUPG-CVEARBPZSA-N 236.270 2.936 30 40 BFEB C=C(C)C#CC[N+](C)(C)CC#Cc1ccccc1 2337885 CBYFKHZDHMZZMQ-UHFFFAOYSA-N 238.354 2.694 30 40 BFEB N#Cc1cccc(CNCCc2ccccc2)c1 19919779 RXFAERCYRFRHFG-UHFFFAOYSA-N 236.318 2.891 30 40 BFEB N#Cc1c(Cl)nsc1-c1cccnc1 45930456 OFGRLFVTQSMNJG-UHFFFAOYSA-N 221.672 2.730 30 40 BFEB C=CCCC(=O)c1ccc2c(c1)OCCO2 84485459 WCUFCBNDSODMHO-UHFFFAOYSA-N 218.252 2.607 30 40 BFEB N#CC1(COCc2ccccc2)CCOCC1 85390510 XCWUYAWWRULXFT-UHFFFAOYSA-N 231.295 2.524 30 40 BFEB C[C@H](CC#N)NC1CCN(c2ccccc2)CC1 95946794 RVRFIFCAPYKSJG-CYBMUJFWSA-N 243.354 2.547 30 40 BFEB CC[C@@H](C)C(=O)c1cccc(F)c1C#N 308816633 VQGKJRIOSREMOJ-MRVPVSSYSA-N 205.232 2.926 30 40 BFEB Cc1ccc(/C=N/c2cccc(C(N)=O)c2)s1 561339 NYAFKDFFKCJCGG-OVCLIPMQSA-N 244.319 2.906 30 40 BFEB CCCCOC(=O)[C@H]1O[C@]1(C)c1ccc(C)cc1 1733585 NCXFPBKPSJBSBJ-UKRRQHHQSA-N 248.322 2.952 30 40 BFEB CC(=O)Nc1[nH]cc(-c2ccccc2)c1C#N 4015329 RPVHKLUSNRRNNK-UHFFFAOYSA-N 225.251 2.512 30 40 BFEB O=CCn1c2ccccc2c2ccccc21 20397559 OLGVUHDMFDNDOU-UHFFFAOYSA-N 209.248 2.993 30 40 BFEB C[C@H]1CCCC[C@@H]1NC(=O)C1(C#N)CCCC1 44290551 SNMSYEXEBXQHRC-RYUDHWBXSA-N 234.343 2.765 30 40 BFEB N#Cc1cccc(NC(=O)C2(C#N)CCCC2)c1 44292410 UCJYTIDZYBKMNQ-UHFFFAOYSA-N 239.278 2.581 30 40 BFEB N#Cc1ccc2c(cnn2Cc2ccccc2)c1 72482114 KPUOASXDQNSWLF-UHFFFAOYSA-N 233.274 2.956 30 40 BFEB COc1cccc(CC2(C#N)CCOCC2)c1 85652886 FQNGLIFTCYATOZ-UHFFFAOYSA-N 231.295 2.558 30 40 BFEB CN1CCCS/C1=N/c1ccccc1F 100454388 UNFVPGGLCOIHOH-ACCUITESSA-N 224.304 2.882 30 40 BFEB Cn1cc(C#C[Si](C)(C)C)c(C2CC2)n1 203600084 QJEBOSZYJSEGPR-UHFFFAOYSA-N 218.376 2.526 30 40 BFEB N#Cc1cnn(C2CCCC2)c1Br 252499941 SJOLJHLRQLNBBC-UHFFFAOYSA-N 240.104 2.632 30 40 BFEB C=CCNc1oc(-c2ccccc2)nc1C#N 1792954 HIIHEMAEQSDMFR-UHFFFAOYSA-N 225.251 2.811 30 40 BFEB O=C1[C@H](c2ccccc2Cl)[C@H]2CC=C[C@@H]2N1O 4962589 BVCMTZOEWVSYCE-ZMLRMANQSA-N 249.697 2.600 30 40 BFEB Cc1ccc(C(=O)Nc2ccc(C#N)cc2)cn1 12871500 KEFWFAJYVZKEJZ-UHFFFAOYSA-N 237.262 2.514 30 40 BFEB N/N=C/C(=O)c1ccc(Oc2ccccc2)cc1 16490838 DOMBUCSALXNLCL-MHWRWJLKSA-N 240.262 2.606 30 40 BFEB CN(CCC#N)Cc1ccc(Cl)cc1 19834117 VACDHMANNQZEKX-UHFFFAOYSA-N 208.692 2.685 30 40 BFEB C=CCN(CC=C)c1ccc(C)cc1N 42783214 CCYCSGZBIIDUMM-UHFFFAOYSA-N 202.301 2.756 30 40 BFEB Cc1ccc(CN(CC#N)C2CC2)cc1C 77361081 CVZKMLJYDSVEES-UHFFFAOYSA-N 214.312 2.791 30 40 BFEB C#CCn1cc(-c2ccc(OC(C)C)cc2)cn1 85390988 BZACNFJWWAWYKW-UHFFFAOYSA-N 240.306 2.971 30 40 BFEB O=C[C@@H]1C[C@H]1c1cccc(Br)c1 96530098 PMWAAQNRSYMNAH-WPRPVWTQSA-N 225.085 2.752 30 40 BFEB C#C[C@H](OC(=O)c1cc(C(C)=O)cs1)C1CC1 97032388 YYIIKWHADIDLAP-NSHDSACASA-N 248.303 2.519 30 40 BFEB CCCCCCCCCCNC(N)=O 3165615 HHCZYYBKCPWBMS-UHFFFAOYSA-N 200.326 2.795 30 40 BFEB C/C(=N\[N+](C)(C)C)c1ccc(C)c(C)c1 3954225 MAEVSQFHGKHDDI-WYMLVPIESA-N 205.325 2.734 30 40 BFEB in-vitro N#Cc1cnc2c([N+](=O)[O-])cccc2c1Cl 16697580 NNTCMTUMEUDZFP-UHFFFAOYSA-N 233.614 2.668 30 40 BFEB Oc1ccccc1/C=N\N1CCCCCC1 17354156 CEMKEHGRUBOXAS-KAMYIIQDSA-N 218.300 2.602 30 40 BFEB C=CCOc1ccc(/N=N/C(C#N)C#N)cc1 17857887 IDYNHRPKSJCWNY-FOCLMDBBSA-N 226.239 2.751 30 40 BFEB C=CCOc1ccc2cc(C(=O)O)oc2c1 72219720 XKTGBWLGSPKCEH-UHFFFAOYSA-N 218.208 2.696 30 40 BFEB O=C(O)C#Cc1ccc(-c2ccccc2)cc1 84496209 MVYPVLFGHHYWMI-UHFFFAOYSA-N 222.243 2.790 30 40 BFEB CCOc1ccc(NC(=O)C(C)(C)C)cc1C#N 225785274 LXBLWBVXIRABOI-UHFFFAOYSA-N 246.310 2.942 30 40 BFEB Cc1nc2ccccc2n1/N=C/c1cccnc1 196153 HMIFVUHADIRVRG-MHWRWJLKSA-N 236.278 2.622 30 40 BFEB CS/C(=N\N=C(C)C)NCc1ccccc1 6186070 DFJMSPOMANZYKT-UHFFFAOYSA-N 235.356 2.891 30 40 BFEB CC(=O)/C=C\C1=C(C)CCC(=O)C1(C)C 12495186 LXKZETAGHZUBOQ-SREVYHEPSA-N 206.285 2.837 30 40 BFEB N#CCCOc1cccc(C(F)(F)F)c1 19841218 HXTSLEPUGSDLQG-UHFFFAOYSA-N 215.174 2.998 30 40 BFEB CCOC(=O)/C([N+]#N)=C1\Nc2ccccc2S1 33368156 CYKOXDBOROUQQO-UHFFFAOYSA-O 248.287 2.789 30 40 BFEB N#CCCN1CCC[C@H]1Cc1ccccc1 55472096 AJRLRYLKXVYRSY-AWEZNQCLSA-N 214.312 2.607 30 40 BFEB N#Cc1cc(Br)c(F)c(F)c1F 75842727 GAHJQDHPDKXJSK-UHFFFAOYSA-N 235.990 2.738 30 40 BFEB Cc1cc(C)n(Cc2ccc(F)cc2C#N)n1 77239765 DGTQDZKMYNYZKM-UHFFFAOYSA-N 229.258 2.559 30 40 BFEB CC(C)(C)Oc1ccc(C(=O)CC#N)cc1 84931519 HYFIIJUFFBGJLQ-UHFFFAOYSA-N 217.268 2.960 30 40 BFEB N#Cc1cccn1-c1ccc(F)cc1F 196178712 YABFZLJAMFRWIP-UHFFFAOYSA-N 204.179 2.627 30 40 BFEB O=C(NO)c1cc(Cl)c(Cl)c(Cl)c1 226289796 WVOUACMQALNJAW-UHFFFAOYSA-N 240.473 2.766 30 40 BFEB CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@H]2C#N)C1 306604399 NYJHPPAGCNEVSD-GWCFXTLKSA-N 236.315 2.547 30 40 BFEB N#Cc1ccccc1C(=O)C(F)(F)C(F)(F)F 575242978 POUSXKGATIRCIJ-UHFFFAOYSA-N 249.138 2.939 30 40 BFEB COc1ccccc1N/C=C/C(=O)C(F)(F)F 2366937 IUUHYRVWUIVZGM-VOTSOKGWSA-N 245.200 2.752 30 40 BFEB COc1c(Cl)cc(Cl)cc1/C=N/O 3190650 XUDNHMGPRVVARS-NYYWCZLTSA-N 220.055 2.810 30 40 BFEB CCC/C(=N\Nc1ccccc1)C(C)=O 16102034 DUCFSTCMZHSBRJ-WYMLVPIESA-N 204.273 2.844 30 40 BFEB C[C@@H](O)CN(CCCCC#N)C1CCCCC1 69918633 OAWSXLDWFDKCPS-CYBMUJFWSA-N 238.375 2.696 30 40 BFEB CC1CCC(CNc2cnc(C#N)cn2)CC1 71178153 RFPRJWZCUBODEA-UHFFFAOYSA-N 230.315 2.586 30 40 BFEB CN(Cc1ccccc1)c1ccc(/C=N/O)cn1 72225362 KLKKSLUKXZYTOA-MHWRWJLKSA-N 241.294 2.526 30 40 BFEB C=CCc1c(F)c(F)c(C#N)c(F)c1F 91252195 CXPKUIPIVFVLBE-UHFFFAOYSA-N 215.149 2.843 30 40 BFEB O=CCc1ccc(F)c(C(F)(F)F)c1 95631414 QOOYHOHPLWWYNX-UHFFFAOYSA-N 206.138 2.586 30 40 BFEB C=CCC[C@@H](C)N[C@H]1CCOC(C)(C)C1 97375369 JPOXPGYEXYAHTR-NEPJUHHUSA-N 211.349 2.888 30 40 BFEB Cc1ccc(N/N=C2\COC(C)(C)CC2=O)cc1 100668127 NJKOKKQZGZQPAS-FOWTUZBSSA-N 246.310 2.531 30 40 BFEB CC(=O)C=C1CCN(C(=O)OC(C)(C)C)CC1 114694293 DVXZTYVDRMTHSV-UHFFFAOYSA-N 239.315 2.533 30 40 BFEB N#Cc1cccc(CN2C[C@H]3CCC[C@H]3C2)c1 148084602 WESRSVLKXDMEFP-GASCZTMLSA-N 226.323 2.790 30 40 BFEB C=CCOc1c(Cl)cc(F)cc1C(=O)O 223323832 IIXGQDJLCLEONH-UHFFFAOYSA-N 230.622 2.742 30 40 BFEB N#Cc1c(N)sc2c1-c1ccccc1OC2 1658165 ONCNPQUIOLSGMJ-UHFFFAOYSA-N 228.276 2.761 30 40 BFEB in-vitro O=C(/C=C/Cl)c1ccc([N+](=O)[O-])cc1 2018661 ADRDHEFLWUEGCY-AATRIKPKSA-N 211.604 2.530 30 40 BFEB O=C(/C=C/c1ccc2nccnc2c1)c1ccc[nH]1 32912330 FGPKIRVDMGNDBD-GQCTYLIASA-N 249.273 2.854 30 40 BFEB N#CC(=O)c1ccc(Cl)cc1Cl 77291398 MJJCNUBDKYFMHM-UHFFFAOYSA-N 200.024 2.700 30 40 BFEB in-vitro N#CC1(C(=O)c2ccccc2Cl)CCOCC1 85395799 PMHMMHPWYFVTLZ-UHFFFAOYSA-N 249.697 2.843 30 40 BFEB Cc1cc(F)cc(C#C[C@@H](O)C(C)C)c1 95632285 OMIGWOQTZZHROQ-CYBMUJFWSA-N 206.260 2.503 30 40 BFEB C[C@@]1(C(=O)/C=C\c2ccc(Cl)cc2)CO1 33378741 FTICWRZAOPJWHT-KMSCOEIWSA-N 222.671 2.711 30 40 BFEB C#Cc1cccc(NCc2ncc(Cl)n2C)c1 36903417 AJHXFLPTHQBNFL-UHFFFAOYSA-N 245.713 2.667 30 40 BFEB CC[C@](C)(C#N)NC(=O)c1ccc(C)c(F)c1 40357928 SJQSNRRBRJUKOO-CYBMUJFWSA-N 234.274 2.556 30 40 BFEB C=CC[C@@H](O)/C=C/c1ccc(OC)cc1 83294306 NQZFURRAMALGHE-FZKGZDJFSA-N 204.269 2.645 30 40 BFEB Cc1cc(C)c(C#N)c(OCC2CC2)c1 96526166 SWZQXGGFZKVGOQ-UHFFFAOYSA-N 201.269 2.964 30 40 BFEB c1ccc2sc(SC[C@H]3CO3)nc2c1 97411 OXLSQBAQJGFJTJ-SSDOTTSWSA-N 223.322 2.787 30 40 BFEB CN(C)c1ccc(/C=N/c2ccccn2)cc1 8654430 VGYPCJHBOMREJA-LFIBNONCSA-N 225.295 2.898 30 40 BFEB Cc1cc(C)nc(Oc2cccc(C#N)c2)n1 12874248 CUIZDLYNEUSECS-UHFFFAOYSA-N 225.251 2.757 30 40 BFEB N#CC(C#N)/N=N/c1ccc(Br)cc1 17286701 CIFOXOQVWXRACF-BUHFOSPRSA-N 249.071 2.949 30 40 BFEB CCc1ccc(C(=O)/C=C\[n+]2ccccc2)cc1 33373993 ONEPPQANKMFCPU-RAXLEYEMSA-N 238.310 2.890 30 40 BFEB C=CCSc1nncn1-c1ccccc1C 39978317 QUCXSSXZWJJLOI-UHFFFAOYSA-N 231.324 2.854 30 40 BFEB Cc1cccc(/N=C2\SCCN2C)c1C 84213479 CSWNMJIKBALGRJ-SEYXRHQNSA-N 220.341 2.970 30 40 BFEB COC(=O)[C@@H]1O[C@@]12CCCC[C@@H]2C(C)(C)C 84324283 GPGIASUOVDWLLN-GBIKHYSHSA-N 226.316 2.533 30 40 BFEB C[C@@H](NCCCC#N)c1cccc(F)c1F 95986047 FKDYBWAYWPDLQO-SECBINFHSA-N 224.254 2.919 30 40 BFEB CS/C(=N/C1CC1)N1CCC(C)CC1 97094335 ZMPQXGPBCKJIRV-VAWYXSNFSA-N 212.362 2.600 30 40 BFEB C=CCOCC(F)(F)[C@H](F)C(F)(F)F 98210629 QTTFAPJIPLUWAL-YFKPBYRVSA-N 222.128 2.725 30 40 BFEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/O)[C@@H]2[n+]1ccccc1 504235 GOJSQMBDTXKYPT-IXHAZIBZSA-O 245.346 2.802 30 40 BFEB C(#CCNC1CCCCC1)CNC1CCCCC1 1732097 JQWHLLPKEHHOJP-UHFFFAOYSA-N 248.414 2.834 30 40 BFEB CC(=O)c1ccc(/N=C2\NCCCS2)cc1 3268192 KTABGNRIOKVTMS-UHFFFAOYSA-N 234.324 2.603 30 40 BFEB C=CCn1c(=N)sc2cccc(OCC)c21 100968719 XMMITTPNRCVVMV-UHFFFAOYSA-N 234.324 2.767 30 40 BFEB C#Cc1cccc(N[C@@H](C)CCn2cccn2)c1 188077902 WGPMVQSMCHXEDZ-ZDUSSCGKSA-N 239.322 2.755 30 40 BFEB N#Cc1ccc(CN[C@H]2CCC[C@H]2F)cc1 336039897 UTKOPKMSLPRDKL-OLZOCXBDSA-N 218.275 2.538 30 40 BFEB C[C@](C#N)(Nc1ccccc1)c1ccccn1 344074 NJYLPSJRWYRWLG-CQSZACIVSA-N 223.279 2.932 30 40 BFEB CN(CCC#N)C(=O)Nc1cccc(Cl)c1 5719608 LZUDZIVNKRMMDH-UHFFFAOYSA-N 237.690 2.717 30 40 BFEB CC(C)c1nc(C#N)c(NCc2ccncc2)o1 26458825 ZVUDLKZPYJMUFQ-UHFFFAOYSA-N 242.282 2.677 30 40 BFEB C=CCOc1ccc(NC(=O)OCC)cc1 89984755 SGCCNDQKLZBJHB-UHFFFAOYSA-N 221.256 2.820 30 40 BFEB CC[C@@](C)(O)C#Cc1cc(C)cc(C)c1 95633037 GDSJUKCVGXIOFD-CQSZACIVSA-N 202.297 2.816 30 40 BFEB O=C1CCCC/C1=C/Nc1ccccc1C(=O)O 100882171 WHUMOBXATILIPN-KTKRTIGZSA-N 245.278 2.824 30 40 BFEB COc1ccc(SC(=NC#N)SC)cc1 256080967 WBSGUYYVNOJHJF-UHFFFAOYSA-N 238.337 2.987 30 40 BFEB C[C@](C#N)(Cc1c(F)cccc1Cl)C(=O)O 57533748 HQORKNISIHNFGE-LLVKDONJSA-N 241.649 2.636 30 40 BFEB C#CCOc1ccccc1-c1nccs1 97103800 DPVAVMHWWSGYPU-UHFFFAOYSA-N 215.277 2.822 30 40 BFEB CO/C=C/C(=O)/C=C(\O)C(C)(C)C(F)(F)F 101928758 MUCCCUFWFHLCOP-LMJRQTCTSA-N 238.205 2.746 30 40 BFEB CO[P@](C)(=O)/C(Cc1ccccc1)=N/O 104310113 NFNSCRWAQXPMNQ-NKSUMMKUSA-N 227.200 2.571 30 40 BFEB N#Cc1c(Cl)ncnc1Nc1ccc(F)cc1 225740418 HSXYHDOSRRQHRT-UHFFFAOYSA-N 248.648 2.884 30 40 BFEB Cc1c(C#N)c2nc(N)c3ccccc3n2c1C 1579441 JJKCMUFGDWIFOU-UHFFFAOYSA-N 236.278 2.558 30 40 BFEB CCCCCCCc1cc(=O)[nH]c(=S)[nH]1 1585429 MTRAJDWJDQTNEO-UHFFFAOYSA-N 226.345 2.945 30 40 BFEB FC(F)(Cl)[C@](F)(Cl)C[C@@H]1CO1 1681825 SWHAYLLTYQCEPK-DMTCNVIQSA-N 208.994 2.512 30 40 BFEB O=C(CS)Nc1ccc2c3c(cccc13)CC2 3991818 OAPHGFKZPOGIJM-UHFFFAOYSA-N 243.331 2.807 30 40 BFEB Cc1ccc(-c2nnc(SCC#N)o2)cc1 5042870 GPDSAEKESVPJFN-UHFFFAOYSA-N 231.280 2.661 30 40 BFEB C[C@H](C#N)OC(=O)c1cc2ccccc2s1 6113376 FOSCPAXPOGVCQW-MRVPVSSYSA-N 231.276 2.970 30 40 BFEB CCCCNc1nc(C)c(C(C)=O)cc1C#N 20219154 QOHJZYYCTCJTGZ-UHFFFAOYSA-N 231.299 2.676 30 40 BFEB CCSCC[C@H](C)N(C)c1ncccc1C#N 74770843 HRBPNGZDHYIBOY-NSHDSACASA-N 249.383 2.921 30 40 BFEB CCOc1ccc(C(=O)CC#N)c(OCC)c1 84914203 BRSHWGVBXMGAFD-UHFFFAOYSA-N 233.267 2.580 30 40 BFEB Cc1cscc1C(=O)N(CC#N)C1CCCC1 94216903 SXEXGLCKOHQUON-UHFFFAOYSA-N 248.351 2.965 30 40 BFEB C[C@H](SCc1cccc(C#N)c1)[C@@H](C)O 96430293 QIDFWXTZGNZNEF-ZJUUUORDSA-N 221.325 2.561 30 40 BFEB CCCCn1c(C#N)cc(N)c1CCC 225851900 HCHCIVRHLQGJGQ-UHFFFAOYSA-N 205.305 2.695 30 40 BFEB N#Cc1cccc(C(=O)C(F)(F)C(F)(F)F)c1 575243240 YCJLQLBJGNVUBH-UHFFFAOYSA-N 249.138 2.939 30 40 BFEB C#CC[C@](C)(O)c1cccc(C(F)(F)F)c1 575447619 LTKYXOFDKAZRIE-NSHDSACASA-N 228.213 2.936 30 40 BFEB C=C(Br)C(F)(F)Br 2555167 XWOGOZVYKBOSPJ-UHFFFAOYSA-N 235.853 2.883 30 40 BFEB C/C(Cn1nc(C)cc1C)=N\Nc1ccccc1 5960780 ZPGOFSIOYWPTLP-NTCAYCPXSA-N 242.326 2.988 30 40 BFEB CCSCC[C@H](C)N(C)c1cc(C#N)ccn1 283777762 PURONNJSMYMCQW-NSHDSACASA-N 249.383 2.921 30 40 BFEB Cc1c(C=O)c2ccccn2c1CCC#N 2522270 DKTHVRWRUQESHK-UHFFFAOYSA-N 212.252 2.516 30 40 BFEB O=[N+]([O-])c1cccc(/C=N\N=C\c2ccco2)c1 5030341 TUFHPZLBLIAGJU-NBPWYHHBSA-N 243.222 2.641 30 40 BFEB C[C@H]1CCCCN1CC#CCN1CCCC[C@@H]1C 5742839 DTWOOFHEPRSPPW-HOTGVXAUSA-N 248.414 2.739 30 40 BFEB N#C[C@H](C(=O)C1CC1)c1ccc(Cl)cc1 36930816 MWLSLJZSFWYWSL-NSHDSACASA-N 219.671 2.926 30 40 BFEB Cc1cc(C#N)ccc1N1CC[C@@H](C)C1 40724867 NARAHNAVWNUYDQ-SNVBAGLBSA-N 200.285 2.713 30 40 BFEB in-vitro C=CCOC(=O)c1cc(Cl)cc2nc[nH]c12 73633946 YSDAGIAVKHLMFL-UHFFFAOYSA-N 236.658 2.559 30 40 BFEB N#Cc1cccc(SC(F)(F)F)n1 91252737 UPDICFWJZFEVBT-UHFFFAOYSA-N 204.176 2.565 30 40 BFEB CCC(=O)OCC#Cc1cc(C)c(C)cc1C 95633881 UGEVISASBNQCDJ-UHFFFAOYSA-N 230.307 2.917 30 40 BFEB COCc1ccc([C@H]2CCCN2CCCC#N)o1 97161864 SLGWFGFSWZBXNQ-CYBMUJFWSA-N 248.326 2.867 30 40 BFEB C=C(C)C/N=C\c1ccc(OC)c(OC)c1 104361600 DJHSYQDIGJJXKX-ZROIWOOFSA-N 219.284 2.699 30 40 BFEB O=C1C=C(n2cnc(Cl)c2Cl)CCC1 161134 WFWXRGMIAZPZHD-UHFFFAOYSA-N 231.082 2.784 30 40 BFEB CN(C)/C=N/Cc1ccccc1OC(F)(F)F 165248 KDGFCKNYXGAXCE-OVCLIPMQSA-N 246.232 2.675 30 40 BFEB C[n+]1ccc(/C(O)=N/c2ccccc2Cl)cc1 318176 IZEFIJGAHTWUKW-UHFFFAOYSA-O 247.705 2.801 30 40 BFEB CN(C)CC(C)(C)C(=O)/C=C/c1ccccc1 1590703 OFYZAIZRLXHEOE-ZHACJKMWSA-N 231.339 2.857 30 40 BFEB CC1=NN([C@H](C#N)c2ccco2)C(C)(C)C1 4700088 TZFOOVNOXXHIRZ-SNVBAGLBSA-N 217.272 2.704 30 40 BFEB COc1ccc([C@H](C#N)C(C)=O)c(Cl)c1 12359139 PBMDCUAGVOXBMF-SNVBAGLBSA-N 223.659 2.545 30 40 BFEB in-vitro C[C@H]1CCC[C@@H](C)N1[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2 16608865 FJTNUHLQJBBRRC-JCXAMMAUSA-N 236.359 2.878 30 40 BFEB C=CCNC(=O)N[C@H](C)c1ccc(OCC)cc1 32862648 MOPAWMYUZFGKHZ-LLVKDONJSA-N 248.326 2.632 30 40 BFEB CCCN(CCC)c1ccc(/C=N/O)c(C)n1 72224319 GJTRMVFZHUYKEU-GXDHUFHOSA-N 235.331 2.825 30 40 BFEB OCCC#Cc1cc(Cl)cc(Cl)c1 95632908 DOYMYVNXTGQSTB-UHFFFAOYSA-N 215.079 2.727 30 40 BFEB N#CCCC[S@](=O)CC1CCCCC1 187070604 VNGPCCBBIZRPJL-AWEZNQCLSA-N 213.346 2.619 30 40 BFEB C[C@@H]1CCC[C@@H](Oc2cncc(C#N)c2)C1 242539062 JNCDTVCFMCUZJZ-ZYHUDNBSSA-N 216.284 2.911 30 40 BFEB C[C@@H]1C(=O)C=C2CCCC[C@@H]2[C@@H]1CCC(=O)O 252516494 SURAKSVUYKMLLE-WCQGTBRESA-N 236.311 2.803 30 40 BFEB biogenic,in-vitro C[C@@H]1CCC[C@@H](C)N1[C@H]1/C(=N/O)[C@H]2CC[C@H]1C2 257345259 FJTNUHLQJBBRRC-RVUMNRQBSA-N 236.359 2.878 30 40 BFEB N#Cc1c(CN2CCCCC2)cn2ccccc12 3300909 ONYDNIDNWPFJAA-UHFFFAOYSA-N 239.322 2.797 30 40 BFEB OCCC#Cc1ccc(Cl)c(Cl)c1 37470657 YRYGQDJVUHPGPZ-UHFFFAOYSA-N 215.079 2.727 30 40 BFEB C=CCN(CC=C)Cc1cc(F)ccc1N 42783832 CUAMLMXCEOPSIJ-UHFFFAOYSA-N 220.291 2.582 30 40 BFEB CC[C@H](CC(=O)N[C@@H](C)C#N)c1ccccc1 78418917 IQMFBAGMVXIFQH-NWDGAFQWSA-N 230.311 2.599 30 40 BFEB O/N=C/c1c[nH]c2ccc(Br)cc12 83302153 ZZXVMIJXDSHTOF-LFYBBSHMSA-N 239.072 2.739 30 40 BFEB Cc1c(Cl)cccc1C#CC[C@@H](C)O 95631602 GPXZLASIRCVIFD-SECBINFHSA-N 208.688 2.771 30 40 BFEB CCCCCCCC[C@H](O)CC(=O)OC 100501503 ODWHGFYACOPLGF-NSHDSACASA-N 216.321 2.661 30 40 BFEB in-vitro N#Cc1cccc(NC(=O)Cc2cccs2)c1 2647061 NFVYQWHBHYPRTC-UHFFFAOYSA-N 242.303 2.801 30 40 BFEB Cn1cccc1[C@@H](C#N)c1ccccc1C#N 3133302 RQYHARWMUZXTQY-ZDUSSCGKSA-N 221.263 2.552 30 40 BFEB Cc1nc(Cl)c(C#N)c2c1CCCC2 3628077 FYNCNVGZPPZNPY-UHFFFAOYSA-N 206.676 2.794 30 40 BFEB CCOc1ccc(-c2cn(CCC#N)cn2)cc1 13116398 FQMGCFXFJRYSPP-UHFFFAOYSA-N 241.294 2.862 30 40 BFEB CCO/N=C1\C(O)=Nc2ccc(Cl)cc21 17695960 XJHYKPPIHBRCQP-UHFFFAOYSA-N 224.647 2.682 30 40 BFEB C=CCNC(=O)[C@@H](CC)Oc1cc(C)ccc1C 20459769 HKXZNVJMOKMEHW-CYBMUJFWSA-N 247.338 2.763 30 40 BFEB Cc1c(C#N)c(C=O)c(C)n1-c1ccccc1 32918590 UQEFMCJAZBAKJU-UHFFFAOYSA-N 224.263 2.778 30 40 BFEB C[C@@H](NC(=S)Nc1ccccc1C#N)C1CC1 44057671 STPASLQCBONRBP-SECBINFHSA-N 245.351 2.643 30 40 BFEB C=C(Cl)CN(C)Cc1cnc(C)s1 52101327 HRHGWJZXKAWKDA-UHFFFAOYSA-N 216.737 2.636 30 40 BFEB Cc1cc(F)cc(C#C[C@H](O)C(C)C)c1 95632284 OMIGWOQTZZHROQ-ZDUSSCGKSA-N 206.260 2.503 30 40 BFEB CCO[C@@H](C)OCC#Cc1ccc(N(C)C)cc1 95632994 HGPDTXKMRVLGSS-CYBMUJFWSA-N 247.338 2.503 30 40 BFEB Cc1sc(-n2cccc2CO)c(C#N)c1C 223743633 KXBSTNVTOSVOBE-UHFFFAOYSA-N 232.308 2.520 30 40 BFEB C=CCOC(=O)c1snnc1-c1ccccc1 223832643 SMJGZQANOIXCRX-UHFFFAOYSA-N 246.291 2.548 30 40 BFEB CCn1c(C#N)cc(N)c1Cc1ccccc1 225851209 UTOHOHQNLSFBFX-UHFFFAOYSA-N 225.295 2.553 30 40 BFEB O=C(OC1CCC(=NO)CC1)c1ccccc1 339718 KOWWXOPRRFVSPZ-UHFFFAOYSA-N 233.267 2.616 30 40 BFEB C/N=C(/Nc1cccnc1)c1ccccc1 4051203 CNHDKUXDRMPWOY-UHFFFAOYSA-N 211.268 2.570 30 40 BFEB CC[C@@]1(C)C(=O)C=Cc2c1oc(C)c(C)c2=O 5924101 QMMMQWRPZIJGPT-AWEZNQCLSA-N 232.279 2.520 30 40 BFEB biogenic,in-vitro N#Cc1cc2c(nc1Cl)CCCCC2 9280545 NQKCGOVUCISJBI-UHFFFAOYSA-N 206.676 2.876 30 40 BFEB N#Cc1cccc(COc2ccccc2C=O)c1 15423234 RZSFVCYQQYQCGR-UHFFFAOYSA-N 237.258 2.950 30 40 BFEB N#Cc1cc(F)ccc1NCc1ccccn1 71533036 ASRNJSKJDOCPLE-UHFFFAOYSA-N 227.242 2.704 30 40 BFEB CC(=O)Oc1ccc2cc(N=[N+]=[N-])c(=O)oc2c1 72219791 YVWSHWUPTFLTIE-UHFFFAOYSA-N 245.194 2.660 30 40 BFEB CC[C@@]1(c2ccc(Cl)cc2)O[C@H]1C(=O)OC 85657562 MMUHJHYWWDKJFA-JQWIXIFHSA-N 240.686 2.517 30 40 BFEB C[C@@H](O)CC#Cc1ccccc1OC(F)(F)F 95633942 HXQDAEBXOTXSDO-SECBINFHSA-N 244.212 2.708 30 40 BFEB CC[C@@H]1C[C@H](C)CN1C[C@@H](C#N)CCC#N 195532101 MKPAVUYJAQDDIT-YNEHKIRRSA-N 219.332 2.550 30 40 BFEB CC[C@H](C)n1nc(C(C)(C)C)c(C#N)c1N 225832704 OSVKBQUMECKEEL-QMMMGPOBSA-N 220.320 2.605 30 40 BFEB C=C(C)C(=O)O[C@@H]1C[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1 263584123 KFVLPEIMNOGRJP-QWQWKMKNSA-N 220.312 2.930 30 40 BFEB in-vitro CC1=CC[C@H](C#N)N(C)[C@@H]1c1ccccc1 1577769 LOSAOWRVOAFYHN-KGLIPLIRSA-N 212.296 2.902 30 40 BFEB N#Cc1ccc(C(=O)NCc2cccs2)cc1 3557922 RJRFPXMXIKXULK-UHFFFAOYSA-N 242.303 2.550 30 40 BFEB N=C(CS)NCC1C2CC3CC(C2)CC1C3 5007981 AMMVENNVNPXCAE-UHFFFAOYSA-N 238.400 2.555 30 40 BFEB COc1ccc([C@H]2C[C@H]2/C(C)=N\O)cc1 5382199 ZGVGXXXPBAOTHH-WJOSTPCTSA-N 205.257 2.649 30 40 BFEB CNC(=S)NN=C1CCC(C(C)(C)C)CC1 6298123 KWTWIBFHQKKWQK-UHFFFAOYSA-N 241.404 2.673 30 40 BFEB N#C/C(=N/O)c1nc(-c2ccc(F)cc2)cs1 13118530 DHDKUEHKQOOXKD-DHDCSXOGSA-N 247.254 2.651 30 40 BFEB C/N=C(/Nc1ccc(N(C)C)cc1)SC 16929434 XZTLFBSHPHCQCU-UHFFFAOYSA-N 223.345 2.513 30 40 BFEB c1ccc2c(c1)CCCC/C2=N\OC[C@H]1CO1 17189156 LTMIGQKLRCCGLK-XROPSADXSA-N 231.295 2.533 30 40 BFEB N#CCCN(Cc1ccccn1)Cc1ccco1 81517452 GCXOJXRZNLESCX-UHFFFAOYSA-N 241.294 2.590 30 40 BFEB Cc1cc(Br)cc(/C=N/O)c1 83316638 QGFDAQUYCKMJMV-BJMVGYQFSA-N 214.062 2.566 30 40 BFEB FC(F)(F)c1ccc(COC[C@H]2CO2)cc1 95096168 SCFAYXHXUBBHOS-JTQLQIEISA-N 232.201 2.621 30 40 BFEB CCOC(=O)C/C(C)=N/c1ccc(OC)cc1 100004464 KVVDNEVSULFNHB-GXDHUFHOSA-N 235.283 2.741 30 40 BFEB CC(C)Oc1ccc(N/C(N)=N/[C@H]2C[C@H]2C)cc1 104174186 DIFJRWZTBPUZIN-MFKMUULPSA-N 247.342 2.609 30 40 BFEB O/N=C1/CCCC[C@H]1[C@@H](NO)c1ccccc1 104285482 RJSSJDYQRKHLLZ-XWFGAXGKSA-N 234.299 2.727 30 40 BFEB C=C(Cl)Cn1ccnc1[C@H](O)c1ccccc1 154773731 DHXYTZSBADOZAN-GFCCVEGCSA-N 248.713 2.717 30 40 BFEB COc1ccc(/N=C\c2cc(C)n(C)c2C)cn1 408789906 ONMPDVDQQNAHAV-NVNXTCNLSA-N 243.310 2.796 30 40 BFEB N#Cc1ccc(-c2ccc(C(=O)O)cc2)o1 2554008 XJVGHHWEBYFZEX-UHFFFAOYSA-N 213.192 2.516 30 40 BFEB Cc1ccccc1N/N=C/c1ccc([N+](=O)[O-])o1 6566173 WRHKGLHWWZKOBQ-MDWZMJQESA-N 245.238 2.942 30 40 BFEB C#Cc1cccc(NC(=O)c2ccc(C#N)cc2)c1 15545299 CEOQRNHNQOTMRT-UHFFFAOYSA-N 246.269 2.792 30 40 BFEB CCO[C@H](C)OCC#Cc1ccc(F)cc1 95632476 PSVGJUOLACERBD-NSHDSACASA-N 222.259 2.576 30 40 BFEB COC(=O)CC[C@@H](C#N)c1ccccc1Cl 575440535 PCSVFKYHDJOSFL-VIFPVBQESA-N 237.686 2.900 30 40 BFEB CC(=O)/C=C(\C)NC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 4027666 WLUZYKNLIBMHCU-SOWQLTKDSA-N 249.354 2.834 30 40 BFEB biogenic C=C(C)/C=C(/C)[C@](C)(C#N)C(=O)OC(C)C 5082579 YTWQJICNKCWVEC-YLBKJLTLSA-N 221.300 2.990 30 40 BFEB N#Cc1ccccc1NC(=O)Cc1cccs1 5771476 UJCMTTVBGJPIDX-UHFFFAOYSA-N 242.303 2.801 30 40 BFEB C=CCNC(=O)c1cc2cc(F)ccc2s1 8271383 XXGJJPFDABZVQH-UHFFFAOYSA-N 235.283 2.956 30 40 BFEB C[C@H](N)c1nc(-c2ccc(C#N)cc2)cs1 41059188 VFIFVTFLNDXWMW-QMMMGPOBSA-N 229.308 2.701 30 40 BFEB in-vitro COC(=O)C#Cc1ccc(C(C)(C)C)cc1 70835453 LQXGWENPCGENTO-UHFFFAOYSA-N 216.280 2.509 30 40 BFEB C=CCNC(=O)N1CC[C@H](c2ccccc2F)C1 95389715 YYLFEXYAYSYYIF-NSHDSACASA-N 248.301 2.511 30 40 BFEB CCCCC[C@@H](C)CC(=O)NC1(C#N)CC1 96431070 LPKIXWYZVWCBGE-LLVKDONJSA-N 222.332 2.765 30 40 BFEB C=CCO[C@@H]1[C@H]2CC[C@H]1N(Cc1ccsc1)C2 253377419 XATRRDKZXBTEIT-BFHYXJOUSA-N 249.379 2.914 30 40 BFEB Cc1ccc(O)c([C@@H]2C[C@@H](C#N)CCN2C)c1 1588027 YEGJVIHJYPGMMW-AAEUAGOBSA-N 230.311 2.607 30 40 BFEB C=CC[C@H](OC(C)=O)c1ccc2c(c1)OCO2 5432008 SEPMDINTZXVARF-NSHDSACASA-N 234.251 2.596 30 40 BFEB C=C(C)CN(CC)Cc1nc(C(C)C)no1 40489585 YZKRPFGEKGXZQW-UHFFFAOYSA-N 223.320 2.591 30 40 BFEB CCC(CC)C(=O)NCc1cccc(C#N)c1 40510492 KSAVJMZMQPUNGF-UHFFFAOYSA-N 230.311 2.611 30 40 BFEB CCCC/N=C(/N)Nc1ccc(C)c(F)c1 71847200 APJGRVYFOZRTOE-UHFFFAOYSA-N 223.295 2.661 30 40 BFEB CC(C)N(Cc1ccccc1C#N)CC(C)(C)O 89869632 IDQQNMKKOHTMCA-UHFFFAOYSA-N 246.354 2.540 30 40 BFEB O=C(C=Cc1ccccc1)C(F)(F)F 1857775609 ADEYYFREIBSWFP-UHFFFAOYSA-N 200.159 2.831 30 40 BFEB N#Cc1cc([N+](=O)[O-])cnc1NC1CCCCC1 24970703 LEAWBQWCRBBZNM-UHFFFAOYSA-N 246.270 2.606 30 40 BFEB N#Cc1ccc(-c2ccccc2Cl)nc1O 38764118 SSTNHBXIZOZHLP-UHFFFAOYSA-N 230.654 2.979 30 40 BFEB in-vitro Cc1ccc(C#CC(C)(C)O)cc1Cl 95631610 ATJSXSGGUIAZLY-UHFFFAOYSA-N 208.688 2.771 30 40 BFEB C/C(=N\O)c1ccc(-n2cccc2)cc1 100497071 PXPFQUACXGFCRJ-JLHYYAGUSA-N 200.241 2.676 30 40 BFEB O/N=C1/CCC=CCC[C@H]1Sc1ncccn1 100964711 HUHCAQVIYDUETR-QKKLHOSSSA-N 249.339 2.898 30 40 BFEB Nc1ccccc1S[C@H]1/C(=N\O)[C@H]2CC[C@H]1C2 100965182 PISNIZCRWOGPJQ-SVBXSFSUSA-N 248.351 2.990 30 40 BFEB CCC(C)(C)/C=N/[S@](=O)C(C)(C)C 691991680 ISTZVHFMPABYQN-RUNBWSAHSA-N 203.351 2.956 30 40 BFEB N#Cc1c(-c2sccc2Cl)c[nH]c1N 1382260 KUQNZIMKBZUULR-UHFFFAOYSA-N 223.688 2.850 30 40 BFEB C=CC[C@@H](OC(C)=O)c1ccc2c(c1)OCO2 1874297 SEPMDINTZXVARF-LLVKDONJSA-N 234.251 2.596 30 40 BFEB Cc1ccc(C(=O)/C=C/c2cn(C)nc2C)o1 6924009 FYNMKIFSYHCVNB-AATRIKPKSA-N 230.267 2.526 30 40 BFEB C[C@H]1CCC[S@+](c2cc(O)ccc2O)C1 8396658 XCTARICEHHHDSF-BJOHPYRUSA-O 225.333 2.505 30 40 BFEB Cc1cc(C=O)c(C)n1-c1ccccc1C#N 9261751 CGILGHJSTBSYAZ-UHFFFAOYSA-N 224.263 2.778 30 40 BFEB Cc1c(C#N)c(N)n(Cc2cccs2)c1C 34171239 WSAFWGURKLPHDZ-UHFFFAOYSA-N 231.324 2.669 30 40 BFEB C=CCCC(=O)Nc1cccc(-n2cccn2)c1 65549309 FXIYJLWPQTXKFY-UHFFFAOYSA-N 241.294 2.777 30 40 BFEB N#Cc1cc(Br)c2ncccc2c1 85386710 OLPUZUFNPYAXDD-UHFFFAOYSA-N 233.068 2.869 30 40 BFEB in-vitro O/N=C(\c1ccccc1)[C@@H]1C2C[C@H]3C1[C@@H]3C2 100950828 GPCIBKLTPNYOQB-PUTUJTESSA-N 213.280 2.767 30 40 BFEB O/N=C1/CCCC[C@@H]1N1CCCCCC1 100965245 KFRJJSBGGIDOSI-KLDSGFLGSA-N 210.321 2.635 30 40 BFEB CCn1cccc1/C=N/c1cccc(C(=O)O)c1 408933433 JPRMJNZLJXMGEH-XNTDXEJSSA-N 242.278 2.957 30 40 BFEB C=CCNC(=O)c1ccc2sc(C)nc2c1 408978606 NBZZFUWWEZJBPF-UHFFFAOYSA-N 232.308 2.521 30 40 BFEB COc1ccc([N+](=O)[O-])cc1/N=C/c1ccc[nH]1 46232 KNTPEHUNPOHULQ-RIYZIHGNSA-N 245.238 2.682 30 40 BFEB N#Cc1cc(-c2ccc(F)cc2)oc1N 5579638 PWVFOQJSCOFXFO-UHFFFAOYSA-N 202.188 2.540 30 40 BFEB N#Cc1ccccc1/C=C/C(=O)Nc1cccnc1 12543455 LNDZPGSDAWUEFD-BQYQJAHWSA-N 249.273 2.605 30 40 BFEB O=C1CCCC/C1=N/Nc1ccccc1 17820358 JKGRWIYJFZVNFM-KAMYIIQDSA-N 202.257 2.598 30 40 BFEB Cc1cc(N2CCc3ccccc3C2)ncc1C#N 72223883 KTNYWYQXVSIARZ-UHFFFAOYSA-N 249.317 2.824 30 40 BFEB CCN(CC)CC#Cc1cc(F)ccc1OC 95633665 DIKDSLCRMRGUJI-UHFFFAOYSA-N 235.302 2.528 30 40 BFEB Cc1ccc(N(C)C(=O)C2(C#N)CC2)cc1C 225992328 HEHGFQORRYAMNA-UHFFFAOYSA-N 228.295 2.570 30 40 BFEB N#Cc1ccccc1COc1ccccc1C=O 586148 DXUKAKAZKCWGIK-UHFFFAOYSA-N 237.258 2.950 30 40 BFEB in-vitro CC(C)N(/C=C/C(=O)C(F)(F)F)C(C)C 3097783 XFISMIXAIHTZNT-AATRIKPKSA-N 223.238 2.750 30 40 BFEB CCn1cc(/C=C/C(=O)c2ccccc2O)cn1 6490275 RITCXRYFGAKILJ-BQYQJAHWSA-N 242.278 2.505 30 40 BFEB C=C(Cl)CN1CCN(C)CC12CCCCC2 98018754 GDYMIEHSUVGEKX-UHFFFAOYSA-N 242.794 2.689 30 40 BFEB CC[C@H](CC#N)OC(=O)c1ccsc1 188056255 UZCPGXMIUFAWJF-SECBINFHSA-N 209.270 2.597 30 40 BFEB C=CCOc1c(C)cc(C)cc1C(=O)O 225283050 PFTPGMKXJQZCQD-UHFFFAOYSA-N 206.241 2.566 30 40 BFEB C=CCOc1ccc(/C=N\O)cc1Cl 6262112 PVVYXFJRXJOEIM-GHXNOFRVSA-N 211.648 2.713 30 40 BFEB C=CC[C@@H]1Cc2c(N)cccc2[C@@H](CC=C)N1 19860597 BTXLHLDPUHBVCS-IAQYHMDHSA-N 228.339 2.976 30 40 BFEB CC(=O)[C@H](C#N)c1c(F)cccc1Cl 33610901 DARQRNNQPWWWJT-ZETCQYMHSA-N 211.623 2.675 30 40 BFEB in-vitro C=CCCC(=O)NC[C@H](OC)c1ccsc1 96119930 PMBSIXYPWDOKMA-NSHDSACASA-N 239.340 2.518 30 40 BFEB C[C@@H](C#N)COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 107529921 JKZOXMMCZBROLG-BJDJZHNGSA-N 221.300 2.516 30 40 BFEB CSC(=N/N=C/c1ccccc1O)SC 1729149 UJNVMSNYMSTLMD-YRNVUSSQSA-N 240.353 2.808 30 40 BFEB C=CCN(CC=C)C(=O)c1cccc(C)c1 3195228 BLDQGBMFWGXLQO-UHFFFAOYSA-N 215.296 2.809 30 40 BFEB Cc1oc(-n2c(C)cc(C=O)c2C)c(C#N)c1C 8548925 FPCJBOFNZMKRGK-UHFFFAOYSA-N 242.278 2.988 30 40 BFEB N#Cc1ccc(CN2CCCCCC2)cc1 8730523 BRDXQCQJDWRZDL-UHFFFAOYSA-N 214.312 2.934 30 40 BFEB CC(C)(O)C#Cc1ccc(Cl)c(F)c1 95633352 SNHJVECXICDYLN-UHFFFAOYSA-N 212.651 2.602 30 40 BFEB O=CCc1cc(F)cc(C(F)(F)F)c1 96125943 LQROJIVWCSJFNQ-UHFFFAOYSA-N 206.138 2.586 30 40 BFEB Oc1ccc(/C=N\c2ccccc2)c(O)c1O 104333085 VHOVVVIQTPGKFP-ZSOIEALJSA-N 229.235 2.554 30 40 BFEB CCCCCCCCC/C(C)=N/NC(=N)N 104393648 DRNVHXQZZSAUHM-RVDMUPIBSA-N 226.368 2.986 30 40 BFEB Cc1cccc(/C=N/OCCc2ccccc2)n1 1681045 MPPVJGPJOIUGCV-FOWTUZBSSA-N 240.306 2.983 30 40 BFEB COc1ccc(/C(N)=C/C(=O)C(C)(C)C)cc1 16667801 QTDHDKDEHYFTRI-XFXZXTDPSA-N 233.311 2.610 30 40 BFEB C=C(Br)COc1ccc(N)cc1 38055867 FYDPTAQXOZMNAN-UHFFFAOYSA-N 228.089 2.556 30 40 BFEB CC(C)CCC(=O)NCc1ccc(C#N)cc1 40069735 SRPSUAPCEODAEJ-UHFFFAOYSA-N 230.311 2.611 30 40 BFEB C=C(Cl)Cc1ccc(OC)cc1OC 43208787 YWMITLLGLFNCBC-UHFFFAOYSA-N 212.676 2.999 30 40 BFEB CC(C)c1ccc(-c2noc(N)c2C#N)cc1 84017617 DJMQMYZQBBXQKG-UHFFFAOYSA-N 227.267 2.919 30 40 BFEB CCCC1CCC2(CC1)O[C@@H]2C(=O)OCC 84324421 UUVNEAPZWXNHIS-QWKFWESOSA-N 226.316 2.677 30 40 BFEB C=CCN(CC=C)C(=O)Nc1cccc(C)n1 97378726 MYWCSDVLLLZBRG-UHFFFAOYSA-N 231.299 2.596 30 40 BFEB COc1ccc([C@@H]2CC(=O)C=C(O)C2)cc1OC 100276155 HHGCQGVWCGDBGO-JTQLQIEISA-N 248.278 2.592 30 40 BFEB CC(C)[C@](C)(C#N)NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 104895268 WEGZHHBJAQPHKN-ABHRYQDASA-N 248.370 2.867 30 40 BFEB CCCn1cc(CNc2ccc(C#N)cc2)cn1 123949998 YAEPLNFJOYRXRY-UHFFFAOYSA-N 240.310 2.777 30 40 BFEB C=C(C)CNC(=O)[C@@H]1CC(C)=C[C@H](C)[C@H]1C 1675048 PJHLTAMDZJWCNG-YNEHKIRRSA-N 221.344 2.917 30 40 BFEB C=CCc1cc(CNCC)cc(OC)c1OCC 13731198 IKCYDQKRYCJDNU-UHFFFAOYSA-N 249.354 2.932 30 40 BFEB CC(C)(C)OC(=O)/N=C/c1ccc(C#N)cc1 18179363 RALNCPSAHALXIV-OQLLNIDSSA-N 230.267 2.912 30 40 BFEB Cn1cc(CC#N)c2ccc(Cl)cc21 82593253 BIQDLQVNIHSVPS-UHFFFAOYSA-N 204.660 2.898 30 40 BFEB in-vitro C=CCOc1ccc(Br)c(N)c1 85389599 JNJZSRDCCQMVJP-UHFFFAOYSA-N 228.089 2.596 30 40 BFEB CCN(CC)c1cc(C(F)(F)F)cnc1C#N 95829751 FKNDCYUJEIBFRR-UHFFFAOYSA-N 243.232 2.818 30 40 BFEB CCCC(=O)n1cc(C#N)c2ccccc21 226361371 KGSSCCGZVAOAEP-UHFFFAOYSA-N 212.252 2.953 30 40 BFEB O/N=C(\Cl)c1c[nH]c2cc(F)ccc12 228914628 NWIMSMSYRYDRLN-LCYFTJDESA-N 212.611 2.682 30 40 BFEB C=C(C)[C@@H]1Cc2c(C)nn(-c3ccccn3)c2C1 506444 DPMQKEJDXWBHGI-GFCCVEGCSA-N 239.322 2.867 30 40 BFEB C[C@@H]1CCC[S@@+](c2cc(O)ccc2O)C1 4578116 XCTARICEHHHDSF-PSLIRLAXSA-O 225.333 2.505 30 40 BFEB C[C@@H]1CCC[C@@H](C)N1/N=C/c1ccc(O)cc1 5518110 OYEOHKHOGJSXGY-SJIAUZAASA-N 232.327 2.989 30 40 BFEB N#Cc1cccc(NC(=O)C[C@@H]2C=CCC2)c1 8135490 SEZWGVFPGMSOCY-LLVKDONJSA-N 226.279 2.853 30 40 BFEB C/C(=N\O)C1CCN(Cc2ccccc2)CC1 12417627 BBXXJNOTZHIEIQ-NTCAYCPXSA-N 232.327 2.749 30 40 BFEB CC1CCN([C@@H](C#N)c2ccco2)CC1 41212834 BLCRIRAIBJMBPZ-NSHDSACASA-N 204.273 2.576 30 40 BFEB N#C[C@H](C(=O)c1ccc(F)cc1)c1ccncc1 59687251 CLZJQEOIICYYMR-ZDUSSCGKSA-N 240.237 2.711 30 40 BFEB Cc1cc(N2CCCCCC2)ncc1/C=N/O 72223514 VUEYLJHGWAKYLV-XNTDXEJSSA-N 233.315 2.579 30 40 BFEB Cc1cc(O)ccc1N/C=C1/CCCC1=O 95471739 QXIVNFQRTMMDGH-NTMALXAHSA-N 217.268 2.749 30 40 BFEB CC#CCSc1nnc(-c2ccc(F)cc2)o1 525190787 SUACWXUZLATAIM-UHFFFAOYSA-N 248.282 2.991 30 40 BFEB CC(C)=NOC(=S)Nc1ccccc1 4015174 AYISXZITOSXLKX-UHFFFAOYSA-N 208.286 2.796 30 40 BFEB C=COC(=O)C(F)(F)C(F)(F)C(F)(F)F 16125511 CJABYGHRZGXUKQ-UHFFFAOYSA-N 240.074 2.506 30 40 BFEB N#C[C@@H](C(=O)C1CC1)c1ccc(Cl)cc1 36930815 MWLSLJZSFWYWSL-LLVKDONJSA-N 219.671 2.926 30 40 BFEB N#Cc1cc(N)ccc1NCCc1cccs1 41020392 SZQNAJAHCIHYDK-UHFFFAOYSA-N 243.335 2.857 30 40 BFEB O/N=C/c1ccc(Oc2ccccc2)nc1 72225173 QLOZSFZRXXWOMR-NTEUORMPSA-N 214.224 2.682 30 40 BFEB CCCC/N=C(/NCc1ccccc1)NC(C)C 72283277 SBLGBRCPPDDANF-UHFFFAOYSA-N 247.386 2.930 30 40 BFEB CC(C)(O)C#Cc1cc(F)cc(Cl)c1 95633302 LQZFDXBNUTVLCM-UHFFFAOYSA-N 212.651 2.602 30 40 BFEB CC(C)CCC(=O)NCc1cccc(C#N)c1 40069718 ROXCPJALEQZYBD-UHFFFAOYSA-N 230.311 2.611 30 40 BFEB CCOC(=O)[C@@H](C#N)/N=N/c1ccc(C)cc1C 103550041 QDBYTVYAHNJNIV-IUDBQGPFSA-N 245.282 2.842 30 40 BFEB CCOc1cccc(OCC)c1C(=O)CC#N 113704495 CBMRXSYLCOMUHW-UHFFFAOYSA-N 233.267 2.580 30 40 BFEB NN=C1C[C@@H](c2ccccc2)Oc2ccccc21 299888492 LTYOJFOTFBGRPP-HNNXBMFYSA-N 238.290 2.873 30 40 BFEB C=CCN1c2cccc3cccc(c23)S1(=O)=O 48972170 BPPWBXNIWGFSBO-UHFFFAOYSA-N 245.303 2.535 30 40 BFEB CCCCCn1c(C#N)cc(N)c1N1CCCC1 225864580 FWUNFYDHRMFIRI-UHFFFAOYSA-N 246.358 2.732 30 40 BFEB CCCCOc1c(N)cc(C#N)n1CCCC 225874126 IVTOYVFHRDEVMG-UHFFFAOYSA-N 235.331 2.921 30 40 BFEB Cc1ccc(/N=C/c2cccc(O)c2O)c(O)c1 282523 GPIFSVXVHNSZHR-OVCLIPMQSA-N 243.262 2.862 30 40 BFEB O[C@@H](C/N=C/c1ccccc1)c1ccccc1 298098 UMUCAPZOOJAILZ-KFXIKWRMSA-N 225.291 2.839 30 40 BFEB CCCCCCCCNC(=O)c1cnccn1 2088201 PQEJCOFTIZLXHC-UHFFFAOYSA-N 235.331 2.567 30 40 BFEB CSC(=S)N/N=C(\C)CC(C)C 5715408 RCJLEQDTBCNKBB-VQHVLOKHSA-N 204.364 2.646 30 40 BFEB N#Cc1ccc(N2CCc3ccccc32)nc1 14205845 NWSVMJGHRISZND-UHFFFAOYSA-N 221.263 2.647 30 40 BFEB N#Cc1cccc(COc2cccc(N)c2)c1 19261458 XRNLICHNZSWAFL-UHFFFAOYSA-N 224.263 2.719 30 40 BFEB C[C@H]1CCCCN1c1ccc(N)cc1C#N 20135188 IHQYMXMXICGDSF-JTQLQIEISA-N 215.300 2.519 30 40 BFEB O=C(/C=C/C(F)(F)F)c1ccccc1 21998905 VJLGQFKEZZRPDE-VOTSOKGWSA-N 200.159 2.988 30 40 BFEB N#Cc1ccc(N[C@@H]2C[C@@H]2c2ccccc2)nc1 44416858 IWLNXDMOVXQCDA-ZIAGYGMSSA-N 235.290 2.921 30 40 BFEB O=C[C@@H]1C[C@H]1c1ccccc1Br 75422306 QPUOVWMSNKRPBF-IONNQARKSA-N 225.085 2.752 30 40 BFEB CC1(C)CC(=O)C2=C(C1)O[C@@]1(N)CCC[C@H]2C1 100360544 KDMVKKFCTZDLDP-XPTSAGLGSA-N 235.327 2.505 30 40 BFEB Nc1ccccc1S[C@@H]1/C(=N\O)[C@H]2CC[C@@H]1C2 100965178 PISNIZCRWOGPJQ-PZOVHJICSA-N 248.351 2.990 30 40 BFEB CC(C)(C#N)Nc1cncc(Br)c1 225737862 JIRTXEASQMWMFO-UHFFFAOYSA-N 240.104 2.558 30 40 BFEB C#CCOC(=O)c1cccc(-n2cccc2)c1C 226244611 MOBWNJVLAGPNOR-UHFFFAOYSA-N 239.274 2.576 30 40 BFEB N#CCc1csc(Cc2ccccc2)n1 1670695 FNLCLORKYLQWGJ-UHFFFAOYSA-N 214.293 2.800 30 40 BFEB OCCC[C@@](F)(OC(F)(F)F)C(F)(F)F 2530914 IIBSDQLPUUEGOR-SCSAIBSYSA-N 244.106 2.523 30 40 BFEB N#C[C@H](C(=O)C1CC1)c1ccccc1Cl 44268765 JNFDHOHQAQWMGZ-JTQLQIEISA-N 219.671 2.926 30 40 BFEB Cc1sc(CC#N)cc1Br 215836653 UMVVDTJCDRCJLJ-UHFFFAOYSA-N 216.103 2.885 30 40 BFEB CC[C@@](C#N)(C(=O)OC)/C(C)=C/C(C)C 1600431 XLCORFACLFITSK-PMDBQALLSA-N 209.289 2.682 30 40 BFEB C[C@@H](C#N)Cn1nc(C(F)(F)F)cc1C1CC1 4290997 USVNBIIDBLDFJY-ZETCQYMHSA-N 243.232 2.939 30 40 BFEB Clc1ccc(N/N=C/c2cccs2)nn1 4976623 MKWRCDZPGOWOMA-IZZDOVSWSA-N 238.703 2.638 30 40 BFEB C(=N/N1CCCCC1)\c1ccc2c(c1)CCC2 6473238 FNOORQYQLPKKLV-FOWTUZBSSA-N 228.339 2.995 30 40 BFEB N#Cc1cccc(OCCOCC(F)(F)F)c1 34674894 LOYVCCSWZGLWQJ-UHFFFAOYSA-N 245.200 2.516 30 40 BFEB C=CCNC(=O)[C@@]12CC[C@@H](C1)C(C)(C)C2=C 72242865 HIXCMJQKRMGHHF-FZMZJTMJSA-N 219.328 2.671 30 40 BFEB C#Cc1cc2c(o1)CCN(C(=O)OC(C)(C)C)C2 96509844 RASWIRPCBKXSKK-UHFFFAOYSA-N 247.294 2.554 30 40 BFEB C=CCN(CC=C)C[C@@H]1Cc2ccccc2N1 96524024 JJWSIQVNPYHIJW-AWEZNQCLSA-N 228.339 2.697 30 40 BFEB CCCCCCCCO[C@H]1C=CS(=O)(=O)C1 100848245 BWHTUHWTDRPLAO-LBPRGKRZSA-N 246.372 2.674 30 40 BFEB O=C1C2=C(C(=O)C3=C1[C@@H]1CC[C@@H]3C1)[C@@H]1CC[C@H]2C1 104186386 WDWXKSFSXJJWIR-KYXWUPHJSA-N 240.302 2.591 30 40 BFEB Cc1cc([N+](=O)[O-])cc(C#N)c1OCC(C)C 225287619 SAWBRQSMGIRECD-UHFFFAOYSA-N 234.255 2.810 30 40 BFEB Cc1ccc(/N=C2/NCCS2)c(C)c1 13835947 PMDCFIKMSPLBMG-UHFFFAOYSA-N 206.314 2.627 30 40 BFEB O=[N+]([O-])c1ccc(N/N=C2\C[C@@H]3C=CC[C@@H]23)cc1 20823179 DWBVNUYMYUVDPD-MKDQNAHJSA-N 243.266 2.959 30 40 BFEB N#Cc1cccc(-c2nc(N)cc3cccnc23)c1 39187953 SBMDNJKKPUCYBG-UHFFFAOYSA-N 246.273 2.751 30 40 BFEB CCC[C@H](C)Nc1nnc(C)c(C)c1C#N 40217718 BQOHGWRFUZBSHA-QMMMGPOBSA-N 218.304 2.566 30 40 BFEB N#CCC(=O)c1cccc(Br)c1F 75903717 NJRKFWCKFGIQSI-UHFFFAOYSA-N 242.047 2.685 30 40 BFEB C[C@H]1Cc2cc(CC#N)cc(Cl)c2O1 95863141 GPBXNQLLQPHTKD-ZETCQYMHSA-N 207.660 2.729 30 40 BFEB in-vitro C[C@H](NCCCC#N)c1cccc(F)c1F 95986046 FKDYBWAYWPDLQO-VIFPVBQESA-N 224.254 2.919 30 40 BFEB C[C@@H]1C(=O)C=C2CCCC[C@H]2[C@H]1CCC(=O)O 230140887 SURAKSVUYKMLLE-ZMLRMANQSA-N 236.311 2.803 30 40 BFEB biogenic,in-vitro Clc1ccc(N/N=C/c2ccsc2)nn1 4978442 XDFUFFJBEVIVGH-VZUCSPMQSA-N 238.703 2.638 30 40 BFEB C=C(C(=O)O)[C@@H]1CC[C@@H](C)[C@H]2CC(=O)C(C)=C2C1 59098211 ZFHSKBJBODQVBX-GGZOMVNGSA-N 248.322 2.969 30 40 BFEB biogenic,in-vitro C=CCNC(=O)N[C@H]1CCC[C@H](SCC)C1 84811930 DRRBRSPMHLEPOR-QWRGUYRKSA-N 242.388 2.536 30 40 BFEB COc1ccc2oc([C@H](C)NCC#N)c(C)c2c1 96502750 FBDWUJLMDYAAHO-JTQLQIEISA-N 244.294 2.924 30 40 BFEB Cc1cnc([C@H](C)NCCCCC#N)s1 97371377 ZQEQFGNJYPFSSO-JTQLQIEISA-N 223.345 2.796 30 40 BFEB C=CCOCC(F)(F)[C@@H](F)C(F)(F)F 98210630 QTTFAPJIPLUWAL-RXMQYKEDSA-N 222.128 2.725 30 40 BFEB O/N=C1\[C@H]2CCC[C@H]1[C@@]1(O)CCCC[C@@H]1C2 100748894 PEDZZUSWXHDLGV-UQOJHRKSSA-N 223.316 2.558 30 40 BFEB biogenic O=[N+]([O-])c1ccc(ON=C2CCCC2)cc1 339720 YZWPFPDRPFAUIC-UHFFFAOYSA-N 220.228 2.904 30 40 BFEB C=CCn1c(C)nc2sc(CC)cc2c1=O 20158476 FKDHFUDWUCIJBW-UHFFFAOYSA-N 234.324 2.515 30 40 BFEB C=C(C)CN(CC)C(=O)Cc1cccs1 40489495 AIVLTGWFXUOMCO-UHFFFAOYSA-N 223.341 2.715 30 40 BFEB C=CCN(CC=C)C(=O)c1ccc(F)c(F)c1 68741441 VIHHPYVHDQHAAJ-UHFFFAOYSA-N 237.249 2.779 30 40 BFEB C[C@H](O)[C@H](C)SCc1ccccc1C#N 79064610 FHARQWVSXHHYCT-UWVGGRQHSA-N 221.325 2.561 30 40 BFEB N#CCCOc1cc(F)cc(Br)c1 84192573 VAGXSHIHJXEHQA-UHFFFAOYSA-N 244.063 2.881 30 40 BFEB CC[C@@](C)(O)C#Cc1ccc(Cl)cc1 95631808 VAGVXHSDZMJFPZ-GFCCVEGCSA-N 208.688 2.853 30 40 BFEB C/N=C1\c2ccccc2[C@@]2(c3ccccc3)[C@@H]1N2C 104099876 QEXUUISPQMKPAE-NTZSICJUSA-N 248.329 2.677 30 40 BFEB COc1ccc(C(=O)/C=C/c2ccco2)c(O)c1 4350061 HYFUNIRTCZNDOT-FNORWQNLSA-N 244.246 2.890 30 40 BFEB CC1=NN=C(O)/C1=N\Nc1c(C)cc(C)cc1C 5818160 SOPLYGNWFQLDFE-UHFFFAOYSA-N 244.298 2.726 30 40 BFEB N#CCc1cc(-c2ccccc2F)on1 26421090 TZAOGZDSTWKQNF-UHFFFAOYSA-N 202.188 2.547 30 40 BFEB N#Cc1ccc(-c2nc3ncccc3o2)cc1 75872991 IXLICQMJLQAWEN-UHFFFAOYSA-N 221.219 2.761 30 40 BFEB CC(C)CC/N=C(/N)SC/C=C/Cl 84510010 HOLUPKAKBMLWSG-HWKANZROSA-N 220.769 2.833 30 40 BFEB CC(C)(C)[C@@H](C#N)OC(=O)c1cccc(F)c1 96013290 QZIMAGFWUIWQOU-LLVKDONJSA-N 235.258 2.921 30 40 BFEB CCCCCCCCN[C@H](C)CC(=O)OC 100408976 IDZPZGMOEWHPRR-GFCCVEGCSA-N 229.364 2.888 30 40 BFEB C[C@H](CN(C)C)C(=O)/C=C/c1cccc(F)c1 1611364 ORZYYCXOZVDYBY-WSKFYRRCSA-N 235.302 2.606 30 40 BFEB C[C@@]1(/[N+]([O-])=C/c2ccccc2F)CCCCC1=O 2272349 YXZNAPPRZBRYDY-KWZJRMENSA-N 249.285 2.657 30 40 BFEB C=CCNC(=O)c1ccc2ccccc2c1 5494994 YZFDWLUZNJQIGJ-UHFFFAOYSA-N 211.264 2.756 30 40 BFEB C=C1C(=O)O[C@@H]2C[C@@H](C)C(CCC(C)=O)=CC[C@@H]12 14620390 AVFIYMSJDDGDBQ-BIGNPOOSSA-N 248.322 2.810 30 40 BFEB biogenic,in-vitro CC(C)CCNc1ccc(N)cc1C#N 20135132 VBAPNLPJUJDNIS-UHFFFAOYSA-N 203.289 2.598 30 40 BFEB N#Cc1nc(-c2ccccc2)n2ccccc12 20222710 YBNNERARPITANK-UHFFFAOYSA-N 219.247 2.873 30 40 BFEB CCCCCCCCCC[C@H](O)CN 43574785 VIXJLJIOHUCFAI-LBPRGKRZSA-N 201.354 2.837 30 40 BFEB C=CCOc1cc(C)nc2ccc(C(=O)O)cc12 62725394 JRLFEFTVYZSPOZ-UHFFFAOYSA-N 243.262 2.806 30 40 BFEB C[C@@H]1c2c(sc(N)c2C#N)CC[C@H]1C 82857246 DHTPZYJOIMPIQC-RQJHMYQMSA-N 206.314 2.888 30 40 BFEB in-vitro C#CCCCOc1ccc2c(C)cc(=O)oc2c1 95452040 REPSGCFMBLDAAK-UHFFFAOYSA-N 242.274 2.894 30 40 BFEB C(=N/OCCc1ccccc1)\c1ccccn1 1693881 KBIACYAMUCSGOF-FOWTUZBSSA-N 226.279 2.675 30 40 BFEB CCC1(CC)COP(=O)(OCCC#N)OC1 1842782 BBMLINAJZCJNQH-UHFFFAOYSA-N 247.231 2.878 30 40 BFEB Cc1nc(-c2cccc(C#N)c2)cs1 4277292 GTYJGNFTLCURAQ-UHFFFAOYSA-N 200.266 2.990 30 40 BFEB in-vitro Cc1cc(C(F)(F)F)nn1[C@H](C)CC#N 4290993 OTYVAIHIHBTAHM-ZCFIWIBFSA-N 217.194 2.685 30 40 BFEB O/N=C1\[C@@H]2CCC[C@H]1[C@@]1(O)CCCC[C@@H]1C2 11536009 PEDZZUSWXHDLGV-CVIHHMOCSA-N 223.316 2.558 30 40 BFEB C/C=C(\CC)[C@@](C#N)(CC)C(=O)OCC 17162129 BNJALDIQJCOAEB-DJTWPOEFSA-N 209.289 2.826 30 40 BFEB C=C(C)CNC(=S)N1CCCC[C@@H]1CC 35585836 ZKCFEWBIZIUASR-NSHDSACASA-N 226.389 2.702 30 40 BFEB CC[C@](C)(C#N)NC(=O)c1cc(C)cc(C)c1 40358352 LESWBHWTXMMLAQ-CQSZACIVSA-N 230.311 2.726 30 40 BFEB CN(C)[C@H](C#N)c1ccc(Cl)c(F)c1 43391424 SWWAMZQEFPRSJP-SNVBAGLBSA-N 212.655 2.605 30 40 BFEB C=CCCC(=O)Nc1nc(C(C)(C)C)ns1 68071743 HKPMNURMFKPLEI-UHFFFAOYSA-N 239.344 2.740 30 40 BFEB Cc1cc([N+](=O)[O-])ccc1-n1cccc1C#N 159980645 QUYJVGJSVSSCDQ-UHFFFAOYSA-N 227.223 2.566 30 40 BFEB C(=N/OCCc1ccccc1)\c1ccncc1 1670332 KSSSPNXPNSIVQI-FOWTUZBSSA-N 226.279 2.675 30 40 BFEB in-vitro N#Cc1cc(-c2ccccc2)nc(Cl)n1 2285125 HFULKVTYBDMKBE-UHFFFAOYSA-N 215.643 2.669 30 40 BFEB N#CCCOC1CCN(Cc2ccccc2)CC1 2557557 XTUAIKRVIJDPCZ-UHFFFAOYSA-N 244.338 2.581 30 40 BFEB C[C@H](N)[C@@H](C#N)/N=N/c1ccccc1Cl 5515644 SDTSNYVMCFDKPY-WJICIBMSSA-N 222.679 2.663 30 40 BFEB Cc1ccccc1/C=N/Nc1ccncc1 6789547 MNLNLCDSBNMJLS-XNTDXEJSSA-N 211.268 2.836 30 40 BFEB O=C(/C=C\c1ccncc1)c1ccccc1 17212270 MSXXXMPYLQXAKL-SREVYHEPSA-N 209.248 2.978 30 40 BFEB N#Cc1cc(NC(=O)C2CC2)ccc1Cl 48824356 RVNUQWQTJKKDDO-UHFFFAOYSA-N 220.659 2.560 30 40 BFEB CCCc1ccc(C(=O)N(CC#N)C2CC2)cc1 58342244 DIPBJQFDUWPLEL-UHFFFAOYSA-N 242.322 2.767 30 40 BFEB CCCC[C@@H](O)C#Cc1ccc(OCC)cc1 95632099 WTGXIIBLSOPNFF-CQSZACIVSA-N 232.323 2.988 30 40 BFEB CC(C)(C)[C@H]1CCCN1C(=O)c1cc(C#N)c[nH]1 195533957 GQFVTDQGEFTTJS-GFCCVEGCSA-N 245.326 2.537 30 40 BFEB C=CCOC(=O)C[C@H](O)/C(=C/CCC)CC 1696892 RHAXPQPOCPMQGW-OBIHZWKSSA-N 226.316 2.603 30 40 BFEB C/[N+]([O-])=C\CC(=O)/C=C\c1ccc(Cl)cc1 5184742 RHHLAUFDBPPMTK-JTMBQFMYSA-N 237.686 2.523 30 40 BFEB O=C(/C(=N/O)Nc1ccccc1)c1ccccc1 17430574 ZJVQOULJQDAZOH-UHFFFAOYSA-N 240.262 2.769 30 40 BFEB Nc1cccc(C#Cc2cccc(F)c2)c1 37471003 CYVHAUOXNQKYBK-UHFFFAOYSA-N 211.239 2.808 30 40 BFEB CCOc1c(F)cc(CC#N)cc1Cl 38529987 SYLGCFDLLYOKTE-UHFFFAOYSA-N 213.639 2.944 30 40 BFEB Cc1ccc(Oc2c(N)cc(C#N)n2C)cc1 225880319 HDZPCVFOMWJMMO-UHFFFAOYSA-N 227.267 2.580 30 40 BFEB CC(=O)[C@@H](C#N)Cc1ccc(Cl)cc1F 228981164 CHQCEXVEPLNVRR-SECBINFHSA-N 225.650 2.750 30 40 BFEB C/C(=N\OC(=O)C1CCCCC1)C1CC1 13510156 BIYYDXWYFSHDNA-UKTHLTGXSA-N 209.289 2.896 30 40 BFEB N#Cc1ccc(-c2ccc(OCCO)cc2)cc1 19075567 UBKICSCGCBTPCC-UHFFFAOYSA-N 239.274 2.596 30 40 BFEB CCc1nc(C#N)c(NCCc2ccccc2)o1 26688822 GTQPZNIABSMKIP-UHFFFAOYSA-N 241.294 2.763 30 40 BFEB C=C(C)CN(CC)C(=O)Cc1cccc(F)c1 57158065 XRGRHMCKBDFFIE-UHFFFAOYSA-N 235.302 2.793 30 40 BFEB N#CCN(Cc1ccccc1)Cc1ccccn1 69595010 CHXGNKFUYXTVBI-UHFFFAOYSA-N 237.306 2.607 30 40 BFEB C[C@H](O)CN(CCCCC#N)C1CCCCC1 69918631 OAWSXLDWFDKCPS-ZDUSSCGKSA-N 238.375 2.696 30 40 BFEB O/N=C/c1ccc(NCc2ccccc2)nc1 72225338 LXINSSMNMZLMCY-MHWRWJLKSA-N 227.267 2.502 30 40 BFEB CCN(CC)CC#Cc1cc(F)ccc1C 95632413 LYGBETVIBIVHJS-UHFFFAOYSA-N 219.303 2.827 30 40 BFEB O/N=C1/CCCc2[nH]c3ccc(F)cc3c21 100553630 UBDNOZUFIFEYOX-PTNGSMBKSA-N 218.231 2.822 30 40 BFEB COc1ccc(O)c(/C=N\c2ccccc2O)c1 104211878 ZSKAQEGIDOMWSO-DHDCSXOGSA-N 243.262 2.857 30 40 BFEB C=CCNC(=S)Nc1ncc(Cl)cc1C 223919144 AAAQGSZLCPCQHU-UHFFFAOYSA-N 241.747 2.516 30 40 BFEB CCCCn1c(C#N)cc(N)c1N(CC)CC 225863893 VBQVIUJREKOSIC-UHFFFAOYSA-N 234.347 2.588 30 40 BFEB CC[C@@H](CO)/N=C/c1ccc(Cl)cc1 431417 VDQBJXFTXLPDIX-DELQEKLWSA-N 211.692 2.530 30 40 BFEB N#CCC(=O)c1cc(F)c(F)cc1Cl 2579821 HCJYLNKSHNGRII-UHFFFAOYSA-N 215.586 2.715 30 40 BFEB N#Cc1ccc(C(=O)OC2CCCC2)cc1 3258323 PKXUFRZXFHKLEK-UHFFFAOYSA-N 215.252 2.658 30 40 BFEB CC(C)(O)C#CC[C@H]1C[C@@H]2C=C[C@H]1CC2 5379428 FDBFQDFYWXKSEH-AGIUHOORSA-N 204.313 2.753 30 40 BFEB C=CCNC(=S)N[C@H](C)CCc1ccccc1 6267336 NMVPDWXROHJWBE-GFCCVEGCSA-N 248.395 2.658 30 40 BFEB C=CCNC(=O)c1cc2ccc(F)cc2s1 20900598 UEXOXHBSCQRULY-UHFFFAOYSA-N 235.283 2.956 30 40 BFEB CC(C)[C@@H](O)C#Cc1ccc(Cl)cc1 95631833 FGAKKOZPFIATLL-LBPRGKRZSA-N 208.688 2.708 30 40 BFEB C=C(C)CNC(=O)Nc1cc(F)cc(OC)c1 157593277 ZWCIYLIDLAGVLD-UHFFFAOYSA-N 238.262 2.532 30 40 BFEB CC(=O)c1ccc(C#N)cc1Br 169799901 KYIGKPZOSZSXGB-UHFFFAOYSA-N 224.057 2.523 30 40 BFEB O=C(Nc1ccccc1)ON1CCCCC1 255190311 WJOGWIOGXFIRMU-UHFFFAOYSA-N 220.272 2.636 30 40 BFEB C[C@H]1C[C@@H](C)CN([C@@H]2/C(=N/O)[C@H]3CC[C@H]2C3)C1 257345248 APPXPFIAWDFJGB-MFLXDJDPSA-N 236.359 2.593 30 40 BFEB N#CCc1nc(-c2cccs2)cs1 818323 AQWPRUDIOFZNDF-UHFFFAOYSA-N 206.295 2.938 30 40 BFEB Cc1cc(OC(F)(F)F)ccc1CC#N 16125770 YQTMGMGJQACTFN-UHFFFAOYSA-N 215.174 2.960 30 40 BFEB Nc1cccc(C(=O)/C=C\c2ccccc2O)c1 17197634 OPHLVZKAACFNSN-HJWRWDBZSA-N 239.274 2.871 30 40 BFEB CC1(C)[C@H]2CC=C(Br)C(=O)[C@@H]1C2 45071414 UPPAJWJACJKKNB-BQBZGAKWSA-N 229.117 2.900 30 40 BFEB C=CCNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 53462867 PFMUWFIFGQEAQH-WDEREUQCSA-N 207.317 2.527 30 40 BFEB N#CC(F)(F)c1ccc(F)c(F)c1F 71619328 SRTXZZKWLKQKMR-UHFFFAOYSA-N 207.101 2.719 30 40 BFEB Cc1noc(/N=C/c2ccc3c(c2)OCO3)c1C 95101090 TYUZSOJNNKXDCR-MKMNVTDBSA-N 244.250 2.771 30 40 BFEB N#CC[C@H]1CCCCN1Cc1ccccc1 115680177 KPASZXJUWNSDJQ-CQSZACIVSA-N 214.312 2.955 30 40 BFEB Cc1cccc2[nH]cc(/C(Cl)=N/O)c12 228914942 RNIYPLIPTKNEQU-RAXLEYEMSA-N 208.648 2.851 30 40 BFEB C[C@H](F)COC(F)(F)[C@H](F)C(F)(F)F 1083807007 NZLUZXMZNARKII-IUYQGCFVSA-N 228.107 2.854 30 40 BFEB N#Cc1ccccc1NC(=O)Cc1ccccc1 142255 JJPHVTNXDLOCHU-UHFFFAOYSA-N 236.274 2.739 30 40 BFEB CCOCC(=O)[C@H](C#N)c1ccc(Cl)cc1 1592321 KZQHLLNKTAFEIL-LLVKDONJSA-N 237.686 2.553 30 40 BFEB Nc1ccccc1/C=C1/Sc2cc[nH]c2C1=O 1621761 SAQRGAQZQZOAKX-YRNVUSSQSA-N 242.303 2.926 30 40 BFEB CC(C)C[C@@H](C#N)NC(=O)OCc1ccccc1 2243523 NUAFACVILYYUDG-ZDUSSCGKSA-N 246.310 2.851 30 40 BFEB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CC#N 3846264 KCZNYQIXVJEFPW-GRYCIOLGSA-N 223.316 2.904 30 40 BFEB biogenic C/C(=C/NC(C)C)C(=O)c1ccccc1 4262718 HHRKTKYHSQZMND-LUAWRHEFSA-N 203.285 2.771 30 40 BFEB CC[C@@H]1CS/C(=N/Cc2ccccc2)N1 5468243 UZCXNNALJXBHPI-LLVKDONJSA-N 220.341 2.658 30 40 BFEB CCC(/C=N\Nc1ccc([N+](=O)[O-])cn1)CC 17302204 ADDXFCCKFSVDLB-QPEQYQDCSA-N 236.275 2.824 30 40 BFEB CC(C)=N/N=c1\[nH]c2ccc(C)cc2s1 45951667 VMAFIMYKXPASOW-UHFFFAOYSA-N 219.313 2.834 30 40 BFEB CC(C)[C@H](C#N)NC(=O)C[C@@H](C)C(C)(C)C 70981081 OIPWYTZJZRJUIN-MNOVXSKESA-N 224.348 2.723 30 40 BFEB CCCCCCCCC[C@@H](O)CCO 100097288 GVEPAEOOBURRFW-GFCCVEGCSA-N 202.338 2.870 30 40 BFEB N#CC1(C#N)[C@H]2C=C[C@@H](C2)[C@]1(Cl)C(F)(F)F 100144115 KRHAKENVBIAMEX-ACLDMZEESA-N 246.619 2.766 30 40 BFEB O/N=C1\[C@H]2CC[C@@H](C2)[C@H]1N1CCc2ccccc21 257345335 DDKRBZOPNHMSEE-YZELZXQXSA-N 242.322 2.678 30 40 BFEB Cc1ccc(-n2c(C)cc(C)c(C#N)c2=O)cc1 81479 XWONKHMPCMMDPM-UHFFFAOYSA-N 238.290 2.634 30 40 BFEB CCCCCCCC(=O)Nc1ccon1 2872737 IASUANWSAIZUFM-UHFFFAOYSA-N 210.277 2.974 30 40 BFEB C=C(C)CNC(=S)N(C)C1CCCCC1 6022344 VTAYVPVJLQRDIK-UHFFFAOYSA-N 226.389 2.702 30 40 BFEB Cc1noc(C)c1CNc1cccc(C#N)c1 20253016 LVEUDRBFFLMOSX-UHFFFAOYSA-N 227.267 2.775 30 40 BFEB COc1cc(C#N)ccc1OCCCCC#N 42220363 HAABYJBUZVANIO-UHFFFAOYSA-N 230.267 2.640 30 40 BFEB C#CCNC(=O)C1(c2cccc(Cl)c2)CCC1 44906980 ZGVYEQTUIHFAFA-UHFFFAOYSA-N 247.725 2.511 30 40 BFEB Cc1cc(C#N)c(C)n1CC(F)(F)F 78405606 LHABYMDAPCNSPJ-UHFFFAOYSA-N 202.179 2.539 30 40 BFEB N#Cc1cc(-c2ccco2)nc(Cl)c1C#N 78549538 FJPKCDFKCJVXDD-UHFFFAOYSA-N 229.626 2.738 30 40 BFEB C[C@@H](O)CC#Cc1ccc(OC(C)(C)C)cc1 95631461 KYTAOMPGQBFPPF-GFCCVEGCSA-N 232.323 2.986 30 40 BFEB CCCc1ccc2c(c1)[C@@H](CC#N)C(=O)N2C 218779231 XKQLVMWLKWOAPD-LLVKDONJSA-N 228.295 2.613 30 40 BFEB C=C1C(=O)O[C@@H]2C=C(C)[C@@H](O)CC=C(C)CC[C@@H]12 1081701743 XQVSREKNQZKAKU-MELADBBJSA-N 248.322 2.522 30 40 BFEB biogenic,in-vitro C/C(=N\NC(C)(C)C)c1ccc([N+](=O)[O-])cc1 4933428 BDZRPFBRARFULI-UKTHLTGXSA-N 235.287 2.707 30 40 BFEB CCC(=N/O)/C(=N\O)c1ccc2c(c1)CCCC2 5414428 IASHQMMTVLHSGK-VMNXYWKNSA-N 246.310 2.984 30 40 BFEB O=C(/C=C\c1ccccc1O)c1ccccc1O 13523388 KSHCTKZLHCSARH-KTKRTIGZSA-N 240.258 2.994 30 40 BFEB Cc1ccc(C(=O)N(C)[C@@H](C)CC#N)cc1C 63093964 KMMNFTCRNJRVCZ-LBPRGKRZSA-N 230.311 2.678 30 40 BFEB COc1ccc(Br)c(C#N)c1C 91294527 RALOTEFFPYWJCT-UHFFFAOYSA-N 226.073 2.638 30 40 BFEB CC(C)N(C[C@@H](O)c1ccc(C#N)cc1)C(C)C 96497139 PHXDRTHYHACPRA-OAHLLOKOSA-N 246.354 2.710 30 40 BFEB C[C@H]1CCC[C@H](Cn2ccnc2C#N)C1 97376710 DFZUBTLBFYYBJQ-QWRGUYRKSA-N 203.289 2.581 30 40 BFEB CC(=O)/C=C(\C)NC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 5976165 WLUZYKNLIBMHCU-AXCOZDIOSA-N 249.354 2.834 30 40 BFEB biogenic C=CCN/C(=N\C#N)SCCc1ccccc1 13115931 JJQQLNGWJPOSAB-UHFFFAOYSA-N 245.351 2.575 30 40 BFEB COc1ccc(C#Cc2cccc(N)c2)cc1F 37547801 PIAVFIWWAJWEQD-UHFFFAOYSA-N 241.265 2.816 30 40 BFEB C=C(C)CN(CC)C(=O)CCc1ccco1 55206991 AWJKNYYMNZEJRZ-UHFFFAOYSA-N 221.300 2.637 30 40 BFEB Cc1n[nH]c(C)c1CNc1ccc(C#N)cc1F 78987909 OJGIRLWZPGQAOL-UHFFFAOYSA-N 244.273 2.649 30 40 BFEB C=CCN(CC=C)C(=O)[C@@H]1C[C@@H]2CC[C@@H]1C2 100987514 VQPSPKAMDKSVDU-JHJVBQTASA-N 219.328 2.623 30 40 BFEB COc1ccc2c(c1)/C(=N/O)CCCC2 104368916 MMIAGPZIXNLYII-OUKQBFOZSA-N 205.257 2.600 30 40 BFEB C#C[C@]1(O)CC[C@@H](c2ccccc2)CC1 239562611 FUFMQDPEADAKMD-OKILXGFUSA-N 200.281 2.709 30 40 BFEB C[C@H]1C[C@@H](C)CN([C@H]2/C(=N/O)[C@H]3CC[C@H]2C3)C1 257345247 APPXPFIAWDFJGB-FGINWZODSA-N 236.359 2.593 30 40 BFEB C=CCNC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C 2317113 NVEKSCIIIWJEKA-VXNVDRBHSA-N 248.153 2.880 30 40 BFEB C=C(C)[C@@H]1CC[C@]2(C)CCC(=O)C[C@]2(O)C1 4974872 IPKALXMMEORCDC-MRVWCRGKSA-N 222.328 2.853 30 40 BFEB C#CCNC(=O)Nc1ccc(C(C)C)cc1 6359016 RCFAJUDYBTVURT-UHFFFAOYSA-N 216.284 2.565 30 40 BFEB COc1ccccc1/C=N\N=C\c1ccco1 16919053 FJUGALZOMBNFCB-RRFADNKVSA-N 228.251 2.741 30 40 BFEB Cc1cccc(/C=N\OCc2ccccc2)n1 16982959 CISKZGJZNWBKSC-GDNBJRDFSA-N 226.279 2.941 30 40 BFEB CCN(CC)[C@H](C#N)c1ccc(OC)cc1 19934344 SQVZIVSZCKAATP-CYBMUJFWSA-N 218.300 2.602 30 40 BFEB Cc1nc2ccccc2nc1S[C@H](C)C#N 29282277 WQBCGXRQDSBWKA-MRVPVSSYSA-N 229.308 2.942 30 40 BFEB CN(Cc1cccc(C#N)c1)Cc1ccco1 35122323 RPUAJCLIBQJILG-UHFFFAOYSA-N 226.279 2.783 30 40 BFEB N#CCn1c(-c2ccccn2)nc2ccccc21 40537897 IIHTWTNYIUMJJI-UHFFFAOYSA-N 234.262 2.622 30 40 BFEB Cc1ccc(NC(=O)N(C)C[C@@H](C)C#N)cc1F 58326985 KMMSMGICYMCOJL-VIFPVBQESA-N 249.289 2.758 30 40 BFEB N#Cc1cc2ccc(Br)cc2[nH]1 83305308 MMTZWOPSFGBVSK-UHFFFAOYSA-N 221.057 2.802 30 40 BFEB O/N=C\c1ccc(Cc2ccccc2)o1 104127760 BSPQWRTYKWHYSW-LCYFTJDESA-N 201.225 2.679 30 40 BFEB Cc1cc(OC[C@H]2CO2)ccc1C(C)C 525414 PPXMLAKSCDVFAI-LBPRGKRZSA-N 206.285 2.896 30 40 BFEB C=CCC1=C(C)[C@H](OC(=O)C=C(C)C)CC1=O 1711281 KOQJNCZDVLZJIM-CYBMUJFWSA-N 234.295 2.730 30 40 BFEB N#CCCn1cccc1C(=O)c1ccccc1 67665128 GNXCXNKMDVRJJR-UHFFFAOYSA-N 224.263 2.633 30 40 BFEB in-vitro ON=C(C(=NO)c1ccccc1)c1ccccc1 254289752 JJZONEUCDUQVGR-UHFFFAOYSA-N 240.262 2.743 30 40 BFEB N#Cc1cncc(Oc2ccccc2C=O)c1 685937890 ZGJYNAIGVDVVCS-UHFFFAOYSA-N 224.219 2.558 30 40 BFEB Cc1cccc(/C=N/OCCC(C)C)n1 1670323 NDDRFVVJLAAPDP-UKTHLTGXSA-N 206.289 2.787 30 40 BFEB in-vitro N#CCSc1nc2c(cc1C#N)CCCCC2 4954125 WXSLFCWKKXGJSS-UHFFFAOYSA-N 243.335 2.838 30 40 BFEB C=CCOC(=O)/C(C)=C/c1ccccc1 8622524 ZMSRPUQGLIJHCY-ZHACJKMWSA-N 202.253 2.819 30 40 BFEB CCC(C)(C)NCc1cccc(C#N)c1 19879778 URXLXFUQAVATLS-UHFFFAOYSA-N 202.301 2.836 30 40 BFEB C=CCNC(=O)N[C@H]1CCCc2ccccc21 48289101 RWBSCKKKUUWBAP-ZDUSSCGKSA-N 230.311 2.549 30 40 BFEB C=CCN(CC=C)Cc1nnc(C(C)(C)C)o1 51766667 SSKJCRNYPAWZJK-UHFFFAOYSA-N 235.331 2.541 30 40 BFEB CCN(C(=O)C1CC1)[C@@H](C)c1ccc(C#N)cc1 58712754 GJGVNLDXTXICFU-NSHDSACASA-N 242.322 2.878 30 40 BFEB N#Cc1ccnc(SC2CCCC2)c1 60935511 APDYYHLSQCGBGA-UHFFFAOYSA-N 204.298 2.988 30 40 BFEB CN[C@]12CCC[C@@H](C1)C1=C(CC(C)(C)CC1=O)O2 100360532 KFZLQUOKCXPTIA-BONVTDFDSA-N 249.354 2.766 30 40 BFEB CC1(C)OB(c2ccsc2Cl)OC1(C)C 199595027 GZLUJQFFGCXPDN-UHFFFAOYSA-N 244.552 2.701 30 40 BFEB CCc1c(N)cc(C#N)n1Cc1ccc(F)cc1 225855096 XQGKOCJNJHVOHN-UHFFFAOYSA-N 243.285 2.692 30 40 BFEB N#Cc1ccc2c(c1)[C@@H]1CCC[S@]1(=O)=N2 1503350606 DODDSMNPOPGJFY-XHDPSFHLSA-N 218.281 2.506 30 40 BFEB CCOC(=O)[C@H]1O[C@@]1(C)c1ccc(Cl)cc1 1696022 DDQDBXJPGCKWGR-PWSUYJOCSA-N 240.686 2.517 30 40 BFEB CCCCCCCCCN1CCNC1=S 1724623 ZGMZJXKLYQLNJN-UHFFFAOYSA-N 228.405 2.927 30 40 BFEB CN1CCC(=NNc2ccc(Cl)cc2)CC1 82169973 CFJICHBIXGDIEB-UHFFFAOYSA-N 237.734 2.834 30 40 BFEB C[C@@H](CCN=C(N(C)C)N(C)C)c1ccccc1 225547687 MOXOKHHWKGWBMI-ZDUSSCGKSA-N 247.386 2.659 30 40 BFEB C(=N/OCCc1ccccc1)\c1cccnc1 1670334 JCVYFJONAJNXEU-FOWTUZBSSA-N 226.279 2.675 30 40 BFEB CCCCC#Cc1ccc(C(=O)OC)o1 2298972 SIYWROIEEUJYIS-UHFFFAOYSA-N 206.241 2.608 30 40 BFEB Oc1ccccc1N/N=C/c1ccccc1 5257607 FMAMDZRNZSELMT-GXDHUFHOSA-N 212.252 2.838 30 40 BFEB C=CC#Cc1ccc(C(C)(C)C(=O)OC)cc1 35653284 FKTKKTAEYVTDJB-UHFFFAOYSA-N 228.291 2.675 30 40 BFEB in-vitro Cc1ccc(/C=C/C(=O)c2cn(C)nc2C)cc1 47380259 LGUPRVRZOYBWQQ-CMDGGOBGSA-N 240.306 2.933 30 40 BFEB N#Cc1ccc(Oc2ccccc2C=O)nc1 70453827 NAZWTVNREJRGJT-UHFFFAOYSA-N 224.219 2.558 30 40 BFEB CC(C)(O)C#CC[C@@H]1C[C@H]2C=C[C@H]1CC2 101633836 FDBFQDFYWXKSEH-RWMBFGLXSA-N 204.313 2.753 30 40 BFEB COc1ccc(C2=CC(=O)[C@](C)(C#N)CC2)cc1 2042147 DADUAZNFXZZKRI-HNNXBMFYSA-N 241.290 2.971 30 40 BFEB N/C(=N\c1cccnc1)c1ccc(Cl)cc1 6392273 DKTHSNCRHRGGRP-UHFFFAOYSA-N 231.686 2.772 30 40 BFEB CC1(C)CCC[C@](C)(C#CCN2CCCC2)O1 6668121 OHBXFAJTBJTMHD-OAHLLOKOSA-N 235.371 2.823 30 40 BFEB Cc1cccnc1NC(=O)c1ccc(C#N)cc1 12538391 VFWBSFVUWITIMF-UHFFFAOYSA-N 237.262 2.514 30 40 BFEB CSCC(=O)Nc1ccc(C(C)(C)C#N)cc1 26036683 UMFVAQJZZYOHOJ-UHFFFAOYSA-N 248.351 2.789 30 40 BFEB COC(=O)c1ccc(-c2ccc(/C=N\O)o2)cc1 138127752 ABZLYYUUCHUIRT-ZSOIEALJSA-N 245.234 2.541 30 40 BFEB CCCCCCC(=O)/C=C/c1[nH]c(=O)[nH]c1C 196723895 CYYKZCKHTOHFLO-CMDGGOBGSA-N 236.315 2.564 30 40 BFEB CC(=O)Nc1oc(-c2ccccc2)cc1C#N 144035 VKOXUTOFNWGXKP-UHFFFAOYSA-N 226.235 2.777 30 40 BFEB CC[C@]1(c2ccccc2)O[C@@H]1C(=O)OCC(C)C 1734117 LOADONCHAMQULE-UKRRQHHQSA-N 248.322 2.890 30 40 BFEB CS/C(S)=N/N=C(/C)Cc1ccccn1 5498571 WUSIBFMGQLGUPZ-WQLSENKSSA-N 239.369 2.649 30 40 BFEB C=CCOc1ccccc1/C=C1/C(=O)ON=C1C 100552467 REAUHPQBEWXBLD-FMIVXFBMSA-N 243.262 2.568 30 40 BFEB O=CCCc1c(F)ccc(F)c1Cl 106491129 NPAYYCZRGRROFC-UHFFFAOYSA-N 204.603 2.750 30 40 BFEB O/N=C\c1cc2ccccc2nc1Cl 3091438 KTZXCDZMISQMMF-SDQBBNPISA-N 206.632 2.696 30 40 BFEB CC(C)[C@@H](C)NCc1cccc(C#N)c1 20302371 YLDIHABHKPYLKN-LLVKDONJSA-N 202.301 2.692 30 40 BFEB SC1(S)CCCN(Cc2ccccc2)C1 31960423 KSUUPZRGMYIMFE-UHFFFAOYSA-N 239.409 2.838 30 40 BFEB CC(C)=NN(C)C(=S)c1ccccc1 59366478 VUMGVCAUQSTWKY-UHFFFAOYSA-N 206.314 2.690 30 40 BFEB C=CCCC(=O)Nc1ccc(CCC(=O)O)cc1 95970768 CBEYSKFSAQXHQX-UHFFFAOYSA-N 247.294 2.609 30 40 BFEB CCCCCCCCNCCOCC 100923484 UUHFDAJMZXGNNV-UHFFFAOYSA-N 201.354 2.973 30 40 BFEB C[C@H](CCC1CC1)/N=C(/O)c1ccnc(O)c1 329904528 JERYIORMMUNPOC-SECBINFHSA-N 234.299 2.671 30 40 BFEB C#CCNC(=O)c1sc2ccccc2c1Cl 12894639 QJIZMQHBVISEEB-UHFFFAOYSA-N 249.722 2.918 30 40 BFEB COC(=O)[C@]1(C)OC12CCC(C(C)C)CC2 85657850 JOGXHZCYHAPSCD-YDGIUTOCSA-N 226.316 2.533 30 40 BFEB N#Cc1cccc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)c1 102809040 FTWGUGCITXEVNU-VHRBIJSZSA-N 238.290 2.709 30 40 BFEB N#Cc1cccc(CN2C[C@@H]3CCC[C@H]3C2)c1 148084973 WESRSVLKXDMEFP-GJZGRUSLSA-N 226.323 2.790 30 40 BFEB N#Cc1c(Cl)ncnc1Nc1cccc(F)c1 225740383 MLDOPGXEGQCMGT-UHFFFAOYSA-N 248.648 2.884 30 40 BFEB ON=C(c1ccccc1)c1ccc(O)cc1 245238820 BINATKJGYKUBBZ-UHFFFAOYSA-N 213.236 2.619 30 40 BFEB CC[C@H](CO)/N=C/c1ccc(Cl)cc1 431419 VDQBJXFTXLPDIX-ZTFCMROMSA-N 211.692 2.530 30 40 BFEB CCOc1ccc(-c2nc(C#N)c(NC)o2)cc1 536109 REVGGJMTBXAKMP-UHFFFAOYSA-N 243.266 2.654 30 40 BFEB Oc1cccc(/N=C/c2cccc(O)c2O)c1 587393 NUVKZAUFKGVVQB-RIYZIHGNSA-N 229.235 2.554 30 40 BFEB CC(C)(C)OC(=O)[C@H]1O[C@]1(C)c1ccccc1 1708632 CTGZYSALYIKEQC-BXUZGUMPSA-N 234.295 2.642 30 40 BFEB CC(=O)C1=C(O)C[C@H](c2ccccc2)CC1=O 16138834 RFSXYTQGTXFTJI-NSHDSACASA-N 230.263 2.534 30 40 BFEB CCCCCNC(=O)NCC#Cc1ccccc1 75561679 JDXAPBUQWVWYKG-UHFFFAOYSA-N 244.338 2.528 30 40 BFEB N#Cc1c(Br)ccc(F)c1F 75847050 OIZRRRZYESNUND-UHFFFAOYSA-N 218.000 2.599 30 40 BFEB N#CCCCOc1cc(F)c(F)c(F)c1 95733909 KMKRJQHRGIVYEZ-UHFFFAOYSA-N 215.174 2.786 30 40 BFEB C/C(NCC(C)C)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C 100749366 QFFGXFNSDYQHQI-FKRDJJHYSA-N 221.344 2.751 30 40 BFEB biogenic CCCCCCCC(=O)N1C[C@@H](C)O[C@H](C)C1 104156458 UVNNODIUZNRTHY-CHWSQXEVSA-N 241.375 2.983 30 40 BFEB CN(Cc1ccc(C#N)o1)c1ccccc1 195556497 MUHDKDFUGNLMAO-UHFFFAOYSA-N 212.252 2.788 30 40 BFEB COc1ccccc1Nc1ccncc1C#N 259757921 QGHIYHNDDSVYLJ-UHFFFAOYSA-N 225.251 2.705 30 40 BFEB COc1ccc(C#N)cc1OCc1cccnc1 216843927 JBGOLWFSLAINMQ-UHFFFAOYSA-N 240.262 2.541 30 40 BFEB CCOc1c(Cl)cc(OC)cc1C#N 225288051 YYIYXCLLBYWLDB-UHFFFAOYSA-N 211.648 2.619 30 40 BFEB COC1(OC)CC(C#N)(c2ccc(C)cc2C)C1 685936864 BCTKOFWQRYKYHD-UHFFFAOYSA-N 245.322 2.848 30 40 BFEB CNc1oc(-c2cccc(C)c2)nc1C#N 535883 WIRQINSYXAVJGZ-UHFFFAOYSA-N 213.240 2.563 30 40 BFEB S[C@H]1CCCN(Cc2ccccc2)C1 5485879 FAYCWBNEJGQOEO-LBPRGKRZSA-N 207.342 2.581 30 40 BFEB in-vitro CC[C@H](C)C(=O)N(C)Cc1cccc(C#N)c1 40498634 DHQGEGXHQSMNDA-NSHDSACASA-N 230.311 2.563 30 40 BFEB N#Cc1ccccc1NC(=O)[C@H]1CC=CCC1 68233503 BUVHBFFDVKDURM-NSHDSACASA-N 226.279 2.853 30 40 BFEB C=C(C)CN1CCCC[C@@H]1Cn1cc(C)cn1 71878574 TXOGOARVJGFGRC-CQSZACIVSA-N 233.359 2.622 30 40 BFEB CCCCC[C@@H]1/C(=N\O)CC[C@H]1CC(=O)OC 100742291 NMOXUEJWSISUMP-PGBNPAEYSA-N 241.331 2.986 30 40 BFEB biogenic CC(=O)C(C(C)=O)=C1SCCCCS1 47377 DZGWEYSXYAPRBY-UHFFFAOYSA-N 230.354 2.636 30 40 BFEB biogenic CCCCC[C@@H](C)[C@@H](C#N)C(=O)OCC 1600455 BDUQYHZTGKUVOF-GHMZBOCLSA-N 211.305 2.906 30 40 BFEB Cc1cc(C(F)(F)F)nn1[C@@H](C)CC#N 4290992 OTYVAIHIHBTAHM-LURJTMIESA-N 217.194 2.685 30 40 BFEB Cc1[nH]c(=S)c(C#N)c2c1CCCC2 5537742 NBBIVWBHKOGCDQ-UHFFFAOYSA-N 204.298 2.803 30 40 BFEB CN(C)c1ccc(/C=N/N=C\c2ccco2)cc1 8627675 YGENLWYNHAZKMQ-AXOLISODSA-N 241.294 2.799 30 40 BFEB C=C(C(=O)O)[C@@H]1CC[C@@H](C)[C@@H]2CC(=O)C(C)=C2C1 14619484 ZFHSKBJBODQVBX-FXAINCCUSA-N 248.322 2.969 30 40 BFEB biogenic,in-vitro CCOc1ccc(Cl)cc1C(=O)CC#N 84917720 YYXPIQRCULNLBH-UHFFFAOYSA-N 223.659 2.835 30 40 BFEB C[C@H](NCC#N)c1ccc(-c2ccncc2)cc1 95985734 VFSREUNMWQWKQX-LBPRGKRZSA-N 237.306 2.923 30 40 BFEB C=CCOC(=O)C[C@H](O)/C(=C\CCC)CC 1696893 RHAXPQPOCPMQGW-KGTBHZDVSA-N 226.316 2.603 30 40 BFEB COc1ccc(OC[C@H]2CO2)c(C(C)(C)C)c1 4200171 RRKQNGXFJBCGKI-LLVKDONJSA-N 236.311 2.770 30 40 BFEB CC(C)(C)C(=O)COc1ccc(C#N)cc1 24834843 DMWQOHWOCBYVAG-UHFFFAOYSA-N 217.268 2.552 30 40 BFEB CC(C)(C)OC(=O)NCCCCCCC=O 59025937 UXRRXDCIDPKVLE-UHFFFAOYSA-N 229.320 2.661 30 40 BFEB COc1cccc(OCC2(C#N)CCC2)c1 85390350 OZEKAWBRJSBBRQ-UHFFFAOYSA-N 217.268 2.768 30 40 BFEB C=CCSc1ccc(OC)cc1OC 95733134 ZGZMHWKIPIGZRB-UHFFFAOYSA-N 210.298 2.982 30 40 BFEB C=CCC[C@@H](CC)NCc1cccnc1 96476305 XVLZNRXYIYDSJW-CYBMUJFWSA-N 204.317 2.916 30 40 BFEB C=CC[C@@H]1CC[C@@](CC=C)(C(=O)OCC)C1=O 1670407 ZGBUVLVLPHQJOR-BXUZGUMPSA-N 236.311 2.667 30 40 BFEB C=CCOC(=O)C[C@@H](O)/C(=C\CCC)CC 1696891 RHAXPQPOCPMQGW-NXIHDVOMSA-N 226.316 2.603 30 40 BFEB COc1ccc2occ(/C(C)=N/O)c2c1 4160044 YHUTZWHJMQMKMB-KPKJPENVSA-N 205.213 2.640 30 40 BFEB N#Cc1cccc(NC(=O)CCc2ccco2)c1 9217769 ROUWEABLRFLCLL-UHFFFAOYSA-N 240.262 2.723 30 40 BFEB N#Cc1ccnc(Oc2ccccc2F)c1 10336457 QZRCVAIGUNRBGO-UHFFFAOYSA-N 214.199 2.885 30 40 BFEB O=C(O)/C(Cl)=C(/Cl)C(=O)c1ccccc1 12495784 CYIYSHHZHWARAA-FPLPWBNLSA-N 245.061 2.643 30 40 BFEB CCCCC(O)(CCCC)/C(C)=N/O 17107526 HXFOAVBFYXPPEY-ZRDIBKRKSA-N 201.310 2.948 30 40 BFEB C#Cc1cccc(NC(=O)C2(C#N)CCCC2)c1 24434387 ZTGJOKDQGGXSLR-UHFFFAOYSA-N 238.290 2.690 30 40 BFEB FC(F)(F)COCC(F)(F)C(F)(F)F 78217655 XOJRCKNTZSQBOJ-UHFFFAOYSA-N 232.070 2.763 30 40 BFEB CC(C)N(CC#N)C(=O)c1cccc2cc[nH]c12 89869518 XFRAJTCKEZOVDO-UHFFFAOYSA-N 241.294 2.542 30 40 BFEB Cc1cc(Cl)ccc1C#CCCCO 95633444 OXULIAHJWPCBLY-UHFFFAOYSA-N 208.688 2.772 30 40 BFEB CC(=O)c1ccc(C(=O)OCC(C)(C)C#N)cc1 97084328 FJGFHGKHTHOJDM-UHFFFAOYSA-N 245.278 2.596 30 40 BFEB CC[C@@H](C)n1c(C#N)ccc1CCOC 226030443 KEJXNOLAQSMJKD-SNVBAGLBSA-N 206.289 2.520 30 40 BFEB C=CCCC(=O)c1ccc(N2CCOCC2)cc1 575358932 YQNDPDAQPHIQBK-UHFFFAOYSA-N 245.322 2.672 30 40 BFEB C=CCNC(=S)Nc1nc2ccccc2s1 3468703 UTLSOYWQQKUUPE-UHFFFAOYSA-N 249.364 2.769 30 40 BFEB FC(F)(F)C(F)(C[C@H]1CO1)C(F)(F)F 4979052 ZCSHSWXXDMBWOP-VKHMYHEASA-N 226.091 2.608 30 40 BFEB C=CCNC(=O)CS[C@H](C)c1cccs1 71915140 GXTSLWNLFZOVRD-SECBINFHSA-N 241.381 2.845 30 40 BFEB Cc1ccc(F)cc1C(=O)OCC1(CC#N)CC1 78949135 XOOBNAFSJBWGEE-UHFFFAOYSA-N 247.269 2.985 30 40 BFEB N#Cc1c(F)cccc1OC(F)(F)F 95215493 DBEVPZOCVMDKRP-UHFFFAOYSA-N 205.110 2.596 30 40 BFEB Cc1cccc(NC(=O)C2(C#N)CC2)c1C 156831988 QFCRZQLCYVXMPJ-UHFFFAOYSA-N 214.268 2.546 30 40 BFEB CC(C)(C)OC(=O)C12CCC(CC=O)(CC1)C2 1848350451 OZNCHGJDWILYAG-UHFFFAOYSA-N 238.327 2.868 30 40 BFEB [O-]/[N+](=C\c1ccccc1O)c1ccccc1 159358 ORXOGPXBVINWDG-UVTDQMKNSA-N 213.236 2.653 30 40 BFEB C/C(CC(C)C)=N\N1C(=O)c2ccccc2C1=O 257028 YXBUDGVKJACRMK-XNTDXEJSSA-N 244.294 2.705 30 40 BFEB CCC/C(=N\OC(=O)NC)c1ccccc1 4964132 RWXYDCWXVLRNEF-SDNWHVSQSA-N 220.272 2.547 30 40 BFEB Cc1nc2ccccc2nc1SCCC#N 5921690 BOZPKAROGMIKFL-UHFFFAOYSA-N 229.308 2.944 30 40 BFEB CN(/C=N/C(=S)N1CCCC1)c1ccccc1 16162972 WZOBNMQPJCWMIZ-SDNWHVSQSA-N 247.367 2.532 30 40 BFEB CC[C@@](C)(C#N)NC(=O)c1ccc(C)c(F)c1 40357926 SJQSNRRBRJUKOO-ZDUSSCGKSA-N 234.274 2.556 30 40 BFEB N#CC1(C(=O)Nc2ccc(F)c(Cl)c2)CC1 42381997 PWJLVBINDWFWJD-UHFFFAOYSA-N 238.649 2.721 30 40 BFEB CCCCCCCC[C@@H](O)CC(=O)O 85915165 FARPMBPKLYEDIL-SNVBAGLBSA-N 202.294 2.573 30 40 BFEB in-vitro C#CC[C@@H](OC(=O)c1ncoc1C)C(C)(C)C 97165997 LASLIQAAIPSADV-SNVBAGLBSA-N 235.283 2.578 30 40 BFEB N#C[C@H]1CCC[C@H]1NCc1ccc(Cl)nc1 216714349 KWQZBPXEJYTMPW-GHMZBOCLSA-N 235.718 2.517 30 40 BFEB in-vitro C=C1CCCN(Cc2nc3c(s2)CCC3)C1 667619413 KBICGUDQQFYQLI-UHFFFAOYSA-N 234.368 2.784 30 40 BFEB C[C@H]1CN/C(=N\c2cccc3cccnc23)S1 35294431 MLZKMAYEVRBDOU-VIFPVBQESA-N 243.335 2.947 30 40 BFEB COc1c(C#N)cccc1C(F)(F)F 38529838 QXMXXEWVOOQVAI-UHFFFAOYSA-N 201.147 2.586 30 40 BFEB in-vitro CCCCCCCCCCCCNC(=O)CN 43335077 COQIWLXONHFWES-UHFFFAOYSA-N 242.407 2.982 30 40 BFEB N#CCCCN1CC[C@@H](c2ccccc2)C1 50266834 KZOXCBSLZCPWKY-CQSZACIVSA-N 214.312 2.780 30 40 BFEB CCCN(CCC)c1ccc(C#N)c(C)n1 72224323 IIWWPZZXYMTRJW-UHFFFAOYSA-N 217.316 2.888 30 40 BFEB N#CCN1CC[C@@H](CSc2ccccc2)C1 75964245 AFSCKHNVQPDOPL-GFCCVEGCSA-N 232.352 2.624 30 40 BFEB C=C(Cl)CN(CCC#N)Cc1ccccn1 96455339 WUODMUNUTNSGOD-UHFFFAOYSA-N 235.718 2.550 30 40 BFEB C=CCOc1c(Cl)cc(OC)cc1C#N 225288157 CTWDNCXEXUKGLH-UHFFFAOYSA-N 223.659 2.785 30 40 BFEB CC(C)Cc1c(N)cc(C#N)n1C(C)C 225851650 WTVASPVIXDPJAO-UHFFFAOYSA-N 205.305 2.721 30 40 BFEB Cn1c(C#N)ccc1CCc1ccccc1 226028167 IGDSFQQUGKVONU-UHFFFAOYSA-N 210.280 2.682 30 40 BFEB CCOC(=O)C(C#N)([C@H]1C=CCC1)[C@H]1C=CCC1 1726874 GHEBDCIPYWUVHU-STQMWFEESA-N 245.322 2.992 30 40 BFEB C[C@H]1CC[C@@H](C)N1CC#CCN1[C@H](C)CC[C@H]1C 5742843 ZOBJQBSGGXBNDB-FPCVCCKLSA-N 248.414 2.735 30 40 BFEB N#Cc1c(C(F)F)cc(C(F)F)nc1O 12357690 DBMUKRVWIDJSII-UHFFFAOYSA-N 220.125 2.534 30 40 BFEB COc1ccccc1[C@@H](C#N)C(=O)C(C)C 36931166 UQXFCLVNJAMKPR-LLVKDONJSA-N 217.268 2.527 30 40 BFEB C[C@@H]1CCCC[C@H]1NC(=O)C1(C#N)CCCC1 44290555 SNMSYEXEBXQHRC-VXGBXAGGSA-N 234.343 2.765 30 40 BFEB COC(=O)[C@@H]1O[C@]12CCCC[C@@H]2C(C)(C)C 84324281 GPGIASUOVDWLLN-NRUUGDAUSA-N 226.316 2.533 30 40 BFEB CCO/C(O)=C/[C@H](CC#N)C(F)(F)F 91695896 JVUAQKZGURYUMF-YXXZKMSWSA-N 209.167 2.514 30 40 BFEB CC[C@@](C)(O)C#Cc1cc(F)ccc1C 95632389 YLXULWHEIOBQSG-CYBMUJFWSA-N 206.260 2.647 30 40 BFEB CN(CCC#N)c1ccnc2cc(F)ccc12 98020629 ZHUISWUNIKACQH-UHFFFAOYSA-N 229.258 2.724 30 40 BFEB N#CCCC[S@@](=O)Cc1ccc(Cl)cc1 123306054 MVVJSJVAHQNUOP-HNNXBMFYSA-N 241.743 2.892 30 40 BFEB C=C(C)[C@H]1Cc2c(ccc3ccc(=O)oc23)O1 13360051 WLRXMMDATRQQNQ-GFCCVEGCSA-N 228.247 2.673 30 40 BFEB biogenic,in-vitro CC(=O)c1c(C)oc2cc(C#N)c(C#N)cc12 36559093 UCHKJRCRMABNHF-UHFFFAOYSA-N 224.219 2.687 30 40 BFEB C[C@H](C#N)C(=O)c1ccc(Br)cc1 36935054 UUJYMMCEBGPRLY-SSDOTTSWSA-N 238.084 2.791 30 40 BFEB CC[C@@H]1c2ccccc2CCN1CCC#N 71907879 AFVTTYNZOZEAQJ-CQSZACIVSA-N 214.312 2.909 30 40 BFEB Cc1cc(Br)cc(CC#N)c1 97442026 ACTDHAVSXUXSGE-UHFFFAOYSA-N 210.074 2.824 30 40 BFEB O=C1/C(=C(\O)C(F)(F)F)CCc2occc21 110822960 SJDVBCGHZBWLHS-TWGQIWQCSA-N 232.157 2.783 30 40 BFEB CCCc1c(N)cc(C#N)n1Cc1ccccc1 225853857 DTEYZUJQTMFBCP-UHFFFAOYSA-N 239.322 2.943 30 40 BFEB C=CCCC(=O)c1ccc(C(=O)OC)cc1C 575362305 FGTPYKKZSMULFK-UHFFFAOYSA-N 232.279 2.931 30 40 BFEB C/C=C/C=N/N(C)C(=N)c1ccccc1 3122903 VRLMXMWOCCSAIT-PARYLMMCSA-N 201.273 2.506 30 40 BFEB O=[N+]([O-])c1ccc(N/N=C2/C[C@@H]3CC=C[C@H]23)cc1 13133323 UMWAQZYZZVEAOD-BTCRKOMKSA-N 243.266 2.959 30 40 BFEB C#CCNC(=O)c1sc2cccc(F)c2c1C 32739266 BPOSKECHKFDKMI-UHFFFAOYSA-N 247.294 2.712 30 40 BFEB CC(C)(C)OC(=O)N[C@H](C#N)C1CCCCC1 34781616 IPQSTKYLMJDRAL-LLVKDONJSA-N 238.331 2.984 30 40 BFEB CC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 49821735 GWRUVKSUOVZBHX-ZDUSSCGKSA-N 230.311 2.685 30 40 BFEB CCN(CC)CC#Cc1ccc(C)c(C)c1 95633620 JSXBDANTOXRVQB-UHFFFAOYSA-N 215.340 2.997 30 40 BFEB CCCCCCCC(=O)N1C[C@H](C)O[C@@H](C)C1 104156462 UVNNODIUZNRTHY-STQMWFEESA-N 241.375 2.983 30 40 BFEB O=C(/C=C(\O)c1ccco1)c1ccco1 106891773 WEDYYVBOMZRPKY-FPLPWBNLSA-N 204.181 2.654 30 40 BFEB CCc1nnc(CSCCCC#N)s1 225629019 BXBYOZQGBCSDIM-UHFFFAOYSA-N 227.358 2.637 30 40 BFEB CC(C)(C)C(=O)/C(=C\C(=O)O)C(C)(C)C 1599887 GVJDDIHGDNPQGW-BQYQJAHWSA-N 212.289 2.659 30 40 BFEB N#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2525714 FVBKAFXHWXBINM-UHFFFAOYSA-N 245.044 2.978 30 40 BFEB N#Cc1cccc(NC(=O)c2cccc(F)c2)c1 3603845 GTQZFUAGTGTYSW-UHFFFAOYSA-N 240.237 2.950 30 40 BFEB Nc1ccccc1/C=N\Nc1ccccc1 4558956 LCPNCBSCOIMOBC-GDNBJRDFSA-N 211.268 2.715 30 40 BFEB O=C1C=CC2=Nc3ccccc3CCC2=C1 5066738 PDLUXCFUPAJVJB-UHFFFAOYSA-N 209.248 2.771 30 40 BFEB Oc1ccccc1/C=N/c1nccs1 17889496 JLXKDXBSISPXJW-KPKJPENVSA-N 204.254 2.599 30 40 BFEB CCC(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 71868110 DWKWTEUVWOKIMN-LLVKDONJSA-N 230.311 2.878 30 40 BFEB N#CC1(c2cccnc2C(F)(F)F)CC1 95094261 COSASQOUIJBRHN-UHFFFAOYSA-N 212.174 2.656 30 40 BFEB Cc1ccc(Nc2ccc(C#N)nn2)cc1C 301852621 XRGXLEWIGYMRAA-UHFFFAOYSA-N 224.267 2.709 30 40 BFEB O=C1O[C@]2(O[C@H]2c2ccccc2)c2ccccc21 1633146 YQDYZPHMROBRNT-DZGCQCFKSA-N 238.242 2.781 30 40 BFEB C(=N/OCc1ccccc1)\c1cccnc1 1693235 KZWHYRYIEHREEV-XNTDXEJSSA-N 212.252 2.632 30 40 BFEB CCCCCCCNC(=O)c1ccncc1 3163014 VCPBHUYFJVXOTB-UHFFFAOYSA-N 220.316 2.782 30 40 BFEB C/C(=N/O)c1ccc(C(F)(F)F)cc1 12417363 KKWYDFPUEGTJRD-MLPAPPSSSA-N 203.163 2.904 30 40 BFEB N#Cc1ccc(C2CCC3(CC2)OCCO3)cc1 21984637 WRYSOYQQVCTJIL-UHFFFAOYSA-N 243.306 2.959 30 40 BFEB Cc1nc(C(=O)Nc2ccccc2)ccc1C#N 31872221 BSRZVSZUZJNWCB-UHFFFAOYSA-N 237.262 2.514 30 40 BFEB C=CCN(Cc1ccccc1)[C@H]1CCCC1=O 34062651 CJSUFXJULCLPMS-AWEZNQCLSA-N 229.323 2.796 30 40 BFEB COc1cc(C2(C#N)CCC2)ccc1C 34940493 ZFPBUEUHFJIHCH-UHFFFAOYSA-N 201.269 2.949 30 40 BFEB C=C(Cl)CN1CCC[C@@H]1CN1CCCCC1 69607978 JRCOGXVVRMAVPL-CYBMUJFWSA-N 242.794 2.689 30 40 BFEB CCCCCCCCC(=O)N1CCN[C@@H](C)C1 100414675 LRELFRITRRHJRK-ZDUSSCGKSA-N 240.391 2.557 30 40 BFEB C=CCNCc1ccc(OCC=C)cc1 6855875 NDTLYGVVZSOZDT-UHFFFAOYSA-N 203.285 2.527 30 40 BFEB CNc1ccc(N2CCCC[C@H]2C)c(C#N)c1 226280078 VKLUZZIDNNXGHJ-LLVKDONJSA-N 229.327 2.979 30 40 BFEB CCO/C(C)=N/Oc1cc(=O)oc2ccccc12 271554 LTLXZNUHLOPMGB-NTEUORMPSA-N 247.250 2.542 30 40 BFEB CCCNC(=S)Nc1ccc(C)c(C#N)c1 2570927 YHHAEWIDJXAHKN-UHFFFAOYSA-N 233.340 2.563 30 40 BFEB ClC1(Cl)CCC[C@@]2(Cl)O[C@@H]12 4582973 AIPINVBKJYKCOI-UJURSFKZSA-N 201.480 2.678 30 40 BFEB O=C(/C(=C/c1ccccc1)CO)c1ccccc1 16999224 YDXFYKYARHMICG-RVDMUPIBSA-N 238.286 2.945 30 40 BFEB CS/C(S)=N/N=C(\C)c1ccco1 17060913 KVMRADISELZAMK-RMKNXTFCSA-N 214.315 2.652 30 40 BFEB CN(C)CC(C)(C)C(=O)/C=C\c1ccccc1 17142731 OFYZAIZRLXHEOE-KHPPLWFESA-N 231.339 2.857 30 40 BFEB CCc1cccc2c(C(=O)CC#N)c[nH]c12 19772451 JWYAUTCMQJMISV-UHFFFAOYSA-N 212.252 2.827 30 40 BFEB in-vitro C[C@@H](CO)CS[C@@H](C)c1ccc(C#N)cc1 76092904 KSXICNVQXDHFLC-QWRGUYRKSA-N 235.352 2.981 30 40 BFEB CN(C)CC#Cc1ccc(C(C)(C)C)cc1 95631492 OOHLNNRLZAQHMY-UHFFFAOYSA-N 215.340 2.897 30 40 BFEB O=C1CCCC2=C1[C@H](c1ccccc1)/C(=N\O)O2 104195310 VHQDEJKTZUTIGP-TZFAWSOVSA-N 243.262 2.595 30 40 BFEB O/N=C1/CCCc2ncc(C(F)(F)F)cc21 104301407 KRLJOMBKYBILMA-DHDCSXOGSA-N 230.189 2.615 30 40 BFEB N#Cc1cccc(OC(F)(F)F)c1F 307392033 XQYITCJEKZKNEC-UHFFFAOYSA-N 205.110 2.596 30 40 BFEB COc1ccc2nc(SC)c(C#N)cc2c1 422036 MPKJCCPRINSWJR-UHFFFAOYSA-N 230.292 2.837 30 40 BFEB N#Cc1ccc(OC(=O)Cc2ccsc2)cc1 5576973 BUORFGIIXKIAQP-UHFFFAOYSA-N 243.287 2.768 30 40 BFEB FC(F)(F)c1ccc(C[C@H]2CO2)cc1 82164163 NQWOVJJSRRUKGU-VIFPVBQESA-N 202.175 2.647 30 40 BFEB in-vitro O/N=C/c1c[nH]c2cccc(Br)c12 83302203 HXIJOPPPNYMBIS-LFYBBSHMSA-N 239.072 2.739 30 40 BFEB CCOC(=O)[C@@]1(CC)OC12CCCCCC2 86166172 NDGADRDOBDCOKP-CYBMUJFWSA-N 226.316 2.822 30 40 BFEB C=CCNCc1ccc(C)c(C)c1OC 95094881 GJEAFNSAGOIJJY-UHFFFAOYSA-N 205.301 2.588 30 40 BFEB ON=C(c1ccccc1)[C@@H](O)c1ccccc1 252444115 WAKHLWOJMHVUJC-AWEZNQCLSA-N 227.263 2.599 30 40 BFEB COCCC(F)(C(F)(F)F)C(F)(F)F 1083807016 QEFPNXFSCBUEHE-UHFFFAOYSA-N 228.107 2.856 30 40 BFEB N#CCc1ccc(OC(=O)c2ccccc2)cc1 2573857 NTOGDJDVXCSQJF-UHFFFAOYSA-N 237.258 2.972 30 40 BFEB Cc1c(/C=C/C(=O)c2ccc(F)cc2)cnn1C 6527486 JRDFENKEGSDHEK-VMPITWQZSA-N 244.269 2.764 30 40 BFEB C[C@H](c1cccs1)[S@](=O)CCCC#N 97164054 OPDMCEMIXFXMNA-OTYXRUKQSA-N 227.354 2.862 30 40 BFEB CC(C)CSc1nc(C2CC2)nc(N)c1C#N 223700744 DUTBFNFFXGUGQF-UHFFFAOYSA-N 248.355 2.556 30 40 BFEB Cc1nnc(N=[N+]=[N-])n1/N=C/c1ccc(F)cc1 408720755 YOAMQUFSQJIPHE-AWNIVKPZSA-N 245.221 2.550 30 40 BFEB C#CCOc1c(Cl)cc(Cl)cc1/C=N/O 409053294 BUFZUODUPXLUMH-AWNIVKPZSA-N 244.077 2.814 30 40 BFEB Oc1ccc2ccccc2c1/C=N/CCS 1608117 QDJJVKUMVWKKAO-NTEUORMPSA-N 231.320 2.894 30 40 BFEB C=CCN1C(=O)S/C(=C\c2ccccc2)C1=O 2529522 HRPXYWVUPAZIOO-LUAWRHEFSA-N 245.303 2.909 30 40 BFEB N#CC[C@@H](C#N)c1cccc(Br)c1 36108830 CQFUVYPQEKFWNW-VIFPVBQESA-N 235.084 2.970 30 40 BFEB C=CCNC(=O)c1cccc2c(C)c(C)[nH]c12 40497581 UDUZYEAOODSLIS-UHFFFAOYSA-N 228.295 2.701 30 40 BFEB C=C(Br)Cc1ccc(C)cn1 43209574 FWQWGNFGTLMHQE-UHFFFAOYSA-N 212.090 2.841 30 40 BFEB O/N=C/c1c[nH]c2c(Br)cccc12 83302129 VFTWFJPBTZHHTB-LFYBBSHMSA-N 239.072 2.739 30 40 BFEB C=CCCNc1cccc(C[S@@](C)=O)c1 95990863 WIIYLUZMDUBOKV-HNNXBMFYSA-N 223.341 2.553 30 40 BFEB CCC(C)(C)COC(=O)c1ccc(C#N)c(C)n1 96442994 NQUIUUYKPJNTJJ-UHFFFAOYSA-N 246.310 2.855 30 40 BFEB CCCCCCCC[S@](=O)CCCCO 98008414 JGOJUXYAQVPKQL-OAHLLOKOSA-N 234.405 2.868 30 40 BFEB CCN(CC)c1ccc(N=C(C#N)C#N)cc1 16678537 SGQFCBDCZYQBNH-UHFFFAOYSA-N 226.283 2.652 30 40 BFEB CC(=O)C1=Cc2cc(Cl)ccc2OC1 20390113 NRIVRPPXDDUOGZ-UHFFFAOYSA-N 208.644 2.705 30 40 BFEB N#Cc1ccc(N2CCCC2)c(Cl)c1 62793505 PABPTESCVBEBHG-UHFFFAOYSA-N 206.676 2.812 30 40 BFEB N#CCC(=O)c1ccc2ccccc2c1O 199556882 UHZPNSMCWHRZRI-UHFFFAOYSA-N 211.220 2.642 30 40 BFEB C=CCCC(=O)c1ccc(C(=O)OC)cc1 199840818 FXUMGRQKYXBLCX-UHFFFAOYSA-N 218.252 2.622 30 40 BFEB Cc1cccc(C)c1Nc1snc(N)c1C#N 256879 NRBHLEWRARHXFQ-UHFFFAOYSA-N 244.323 2.957 30 40 BFEB C=CCNc1nnc(-c2ccccc2)s1 1573833 OBNAYOHLVBJTGI-UHFFFAOYSA-N 217.297 2.803 30 40 BFEB COc1ccc([C@@H](C#N)c2ccc(N)cc2)cc1 1597904 ZBOSPCBMOVMROW-HNNXBMFYSA-N 238.290 2.933 30 40 BFEB N/N=C1\C(Cl)=C(Cl)c2ccccc21 5518958 ZOUXRTOIKASPIE-LCYFTJDESA-N 213.067 2.509 30 40 BFEB C=CC[C@@H]1CCCN1C(=O)OC(C)(C)C 6305096 REHOBPXCTRHRJK-SNVBAGLBSA-N 211.305 2.962 30 40 BFEB CC[C@@H]1S/C(=N\c2ccc(C)cc2C)NC1=O 6870811 PFNKJIRQHOTSSO-NSHDSACASA-N 248.351 2.933 30 40 BFEB CCCCNc1oc(-c2cccnc2)nc1C#N 35672270 RJLSOUWNFWAFNY-UHFFFAOYSA-N 242.282 2.820 30 40 BFEB COc1cc(Br)c(Cl)cc1C#N 45957485 SWJSYMRZULXNOG-UHFFFAOYSA-N 246.491 2.983 30 40 BFEB C=C(C)CN(CC)C(=O)c1ccc(CC)o1 46435981 DUPYZAUCKSRACB-UHFFFAOYSA-N 221.300 2.880 30 40 BFEB CC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 49821736 GWRUVKSUOVZBHX-CYBMUJFWSA-N 230.311 2.685 30 40 BFEB COC(=O)C[C@@H](C)SCc1cccc(C#N)c1 78815489 NSQFWISMPQYQAE-SNVBAGLBSA-N 249.335 2.743 30 40 BFEB C=C(C)COc1cc(C)ccc1NC(C)=O 79021258 UDJZBKIJWPRHDN-UHFFFAOYSA-N 219.284 2.908 30 40 BFEB C1=NN=C(c2ccco2)/C1=N/Nc1ccccc1 100506016 DDZROFVNUQBLPB-LFIBNONCSA-N 238.250 2.536 30 40 BFEB CCO/C=N\c1oc(-c2ccccc2)nc1C#N 104187771 HPARQAUNSSJOSQ-DHDCSXOGSA-N 241.250 2.910 30 40 BFEB CC1=NC(=N)S/C1=N\Nc1ccccc1C 111910295 QDTSNJUXFWKHJA-BBVVTBKDSA-N 232.312 2.863 30 40 BFEB C#C[C@@H](O)c1ccc(Cl)cc1Cl 2042602 ZKTZQWUICGZQHL-SECBINFHSA-N 201.052 2.660 30 40 BFEB CN(C)/C=C/C=C1\CCc2ccccc2C1=O 12341414 PFXDCKOSCNEUJF-WEFRXHSZSA-N 227.307 2.817 30 40 BFEB N#Cc1ccc(NC(=O)c2ccsc2)cc1 12981930 MDOWNOKLNGLIGB-UHFFFAOYSA-N 228.276 2.872 30 40 BFEB Cn1cc(/C=C/C(=O)c2ccc(F)cc2F)cn1 65498468 MKJYNPVYKQGBBI-GORDUTHDSA-N 248.232 2.594 30 40 BFEB Cc1ccc(F)c(CN(CCC#N)CCC#N)c1 97100480 IOADHJNPTRWUIL-UHFFFAOYSA-N 245.301 2.763 30 40 BFEB C=C(C)CN(CC)C(=O)Nc1ccc(C)cn1 97107676 YNAGAHGCGXREKV-UHFFFAOYSA-N 233.315 2.820 30 40 BFEB Cc1ccc2[nH]c3c(c2c1)CC/C3=N\O 100485005 FQBSVYUVIDQJLF-SDNWHVSQSA-N 200.241 2.601 30 40 BFEB biogenic CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@H]2C#N)C1 306604406 NYJHPPAGCNEVSD-ZWNOBZJWSA-N 236.315 2.547 30 40 BFEB CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]1C[C@H]2C#N 953067723 WINXSOQPOOPJRB-OUAUKWLOSA-N 236.315 2.546 30 40 BFEB CC[C@@](C)(C#N)NC(=O)c1cc(C)cc(C)c1 40358350 LESWBHWTXMMLAQ-AWEZNQCLSA-N 230.311 2.726 30 40 BFEB CCc1ccccc1/N=C1/SCC(=O)N1CC 57350529 PDWLDOFRMUCHEF-BUHFOSPRSA-N 248.351 2.832 30 40 BFEB CCC[C@@H](C#N)NC(=O)c1sccc1CC 69367920 KDMGKPJUQRDJNE-JTQLQIEISA-N 236.340 2.733 30 40 BFEB C=CCNC(=O)N1CC[C@@H](c2cccc(F)c2)C1 71856587 XQHGXQIOUDIMIS-GFCCVEGCSA-N 248.301 2.511 30 40 BFEB O=C(/C=C/c1ccccc1)[C@@]12CCC[C@H]1O2 100019815 NZXHLNNSFKUNFN-VRZZLATASA-N 214.264 2.590 30 40 BFEB C/C(=N/O)c1sc(-c2cccnc2)nc1C 100067325 YTEVUTZEIWDRKG-ZSOIEALJSA-N 233.296 2.712 30 40 BFEB ClC1(Cl)CCC[C@]2(Cl)O[C@@H]12 101008667 AIPINVBKJYKCOI-NJGYIYPDSA-N 201.480 2.678 30 40 BFEB C=C1C[C@H](O)[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CO 252517105 ZQCMGJAUFDKKDX-COMQUAJESA-N 238.371 2.748 30 40 BFEB biogenic,in-vitro C=C(CC/C=C(/C)CO)[C@H]1CC=C(C)[C@@H](O)C1 2332242429 PXCAMHCTNIGGNE-TWWRYUQQSA-N 236.355 2.979 30 40 BFEB C=CCn1ccc(-c2ccccc2)c(C#N)c1=O 1401921 XXYRKDMUWKMWPP-UHFFFAOYSA-N 236.274 2.573 30 40 BFEB N#Cc1ccc(-c2cccnc2)nc1Cl 3209770 RVBMVHJVENJEOQ-UHFFFAOYSA-N 215.643 2.669 30 40 BFEB in-vitro COc1ccc(C(=O)/C=C/N2CCCCC2)cc1 4616680 FVEWKCZCYXCGNN-FMIVXFBMSA-N 245.322 2.878 30 40 BFEB CCC(=O)Nc1ccc(Cl)c(C#N)c1 12916153 RPMUKWSMOJJPEX-UHFFFAOYSA-N 208.648 2.560 30 40 BFEB Cc1c(C(=O)CC#N)c2ccccc2n1C 85396873 OUFDAUFUDHNZMD-UHFFFAOYSA-N 212.252 2.583 30 40 BFEB CN(Cc1ccccc1)Cc1ccc(C#N)o1 89361423 PFDWFQHCCGQYIC-UHFFFAOYSA-N 226.279 2.783 30 40 BFEB COc1ccccc1[C@H](CC(C)C)NCC#N 96492321 KHVKVQHGNSAXFC-ZDUSSCGKSA-N 232.327 2.896 30 40 BFEB C[C@@H]1CCCC[C@H]1Oc1cncc(C#N)c1 242648351 QTMMYRLZPKKTIZ-ZWNOBZJWSA-N 216.284 2.911 30 40 BFEB O=C(c1c(F)c(F)c(F)c(F)c1F)C(F)F 390316286 HIPCYTSRVSNSAY-UHFFFAOYSA-N 246.081 2.830 30 40 BFEB C=C1CCCN(c2nnc(C3CC3)s2)C1 667619418 XPUJPUVMUHCRMD-UHFFFAOYSA-N 221.329 2.572 30 40 BFEB N/C(S)=N/N=C/c1cccc(Cl)c1Cl 46220 MUEBZTOJMDYECK-UUILKARUSA-N 248.138 2.572 30 40 BFEB N#Cc1ccccc1NC(=O)c1ccccc1F 2454752 ADOWVOMZRBHGRZ-UHFFFAOYSA-N 240.237 2.950 30 40 BFEB CN(C)c1ccc(N/C=C2/CCCC2=O)cc1 3639162 HZSYFXIMJXXUCU-KHPPLWFESA-N 230.311 2.801 30 40 BFEB O=CCCc1ccc(OC(F)(F)F)cc1 60710356 WDBZNHBLOQRKQJ-UHFFFAOYSA-N 218.174 2.717 30 40 BFEB in-vitro N#CCCN(Cc1ccc(C#N)cc1)CC1CC1 78969441 BYSJPMBXANWBCJ-UHFFFAOYSA-N 239.322 2.684 30 40 BFEB C[C@@H]1CCCC[C@@]1(C#N)NC(=O)OC(C)(C)C 96102460 FAPCMGQEOQZPCR-MFKMUULPSA-N 238.331 2.984 30 40 BFEB CC(C)[C@@H](CNC(=O)CC#N)Cc1ccccc1 189021200 WQAZAPMHKBPVOF-CQSZACIVSA-N 244.338 2.531 30 40 BFEB CCCCOc1c(C)cc([N+](=O)[O-])cc1C#N 225287575 URPYWGQTBWISSU-UHFFFAOYSA-N 234.255 2.954 30 40 BFEB CCCC[C@@H]1CC(=O)C=C(C)[C@@H]1C(=O)OCC 1828447 BZLBWMNDZNYHDT-YPMHNXCESA-N 238.327 2.891 30 40 BFEB biogenic C=CCOc1ccc(CNCCCOCC)cc1 6354814 GLGOBFASVJEOMA-UHFFFAOYSA-N 249.354 2.768 30 40 BFEB N#CC1(C(=O)NCc2ccc(F)cc2)CCCC1 7334442 HUCBCLUQEJHOPY-UHFFFAOYSA-N 246.285 2.526 30 40 BFEB CSc1cc(-c2cccs2)oc(=O)c1C#N 26851760 SUSMGQGDFSRWKY-UHFFFAOYSA-N 249.316 2.962 30 40 BFEB C[C@@H](C#N)Sc1nnc(Cc2ccccc2)o1 40456944 UBKMWIQKJMKUPX-VIFPVBQESA-N 245.307 2.665 30 40 BFEB C=C(C)CN(CC)C(=O)c1cccc(N(C)C)c1 69515573 JXIOAZQLVKOHDI-UHFFFAOYSA-N 246.354 2.791 30 40 BFEB C=CCNCc1cc(OC)ccc1OCCC 95094942 SUFGHNYMOHYHJU-UHFFFAOYSA-N 235.327 2.760 30 40 BFEB Cc1ccc(C#C[C@@H](O)C(C)C)cc1F 95633727 WWQOUDIKIDPLKY-CYBMUJFWSA-N 206.260 2.503 30 40 BFEB C/C(=N/Nc1ccccc1)c1ccc(O)cc1O 100066981 PRASTCBVKOOZPU-GDNBJRDFSA-N 242.278 2.934 30 40 BFEB CC1(C)[C@H]2CC[C@@]1(C)C(=O)/C2=C\[N+](C)(C)C 100366963 LHJOXNURTHMGAA-XUKGZEDISA-N 222.352 2.602 30 40 BFEB CCCOc1ccccc1C(=O)CC#N 106679585 IETCIGPVLHIWBF-UHFFFAOYSA-N 203.241 2.572 30 40 BFEB CC(C)N1CC[C@H](C=O)c2ccccc21 217550522 XJOPDFSBBDOCBZ-LLVKDONJSA-N 203.285 2.588 30 40 BFEB Cc1ncsc1-c1ccccc1C#N 238508927 OIOVNPYHJXCLLC-UHFFFAOYSA-N 200.266 2.990 30 40 BFEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cccnc1 664444889 OVCYYNGAPJXRSE-BETUJISGSA-N 243.310 2.797 30 40 BFEB CC(C)[C@H](C#N)c1ccc([N+](=O)[O-])cc1 40377 AGMHEAQVTJWMBC-NSHDSACASA-N 204.229 2.858 30 40 BFEB N#Cc1cc(C(=O)Cc2ccc(Cl)cc2)c[nH]1 1385644 ZUCGOHYGFSNHIU-UHFFFAOYSA-N 244.681 2.965 30 40 BFEB C=CCNc1ncnc2sc3c(c12)CCC3 2786527 LJOKPYFRYJVGPE-UHFFFAOYSA-N 231.324 2.778 30 40 BFEB N#C[C@]1(c2ccccc2)Cc2ccccc2C(=O)O1 3848216 MVGIOVXTGXMUPK-INIZCTEOSA-N 249.269 2.819 30 40 BFEB biogenic C=C1N(C)c2ccc([N+](=O)[O-])cc2C1(C)C 5138536 WHFGEAVJRDAMNU-UHFFFAOYSA-N 218.256 2.836 30 40 BFEB in-vitro CC(C)[C@@H](C#N)NC(=O)C[C@H](C)C(C)(C)C 70981082 OIPWYTZJZRJUIN-WDEREUQCSA-N 224.348 2.723 30 40 BFEB C#CCOc1cc(Cl)c(C#N)cc1OCC 225293850 GJOGYNBPHUDQCB-UHFFFAOYSA-N 235.670 2.622 30 40 BFEB CC(C)(O)C#CCN1C[C@]2(C)C[C@H]1CC(C)(C)C2 519809 HSUBGAWSLFNFIW-CZUORRHYSA-N 249.398 2.661 30 40 BFEB biogenic N#Cc1cccc(-c2cccc(CO)c2)c1 1257425 KYPDFKIOHIOWKJ-UHFFFAOYSA-N 209.248 2.718 30 40 BFEB CC1(C)OC(=O)[C@@H](C#N)[C@H]1c1ccc(Cl)cc1 1703231 LZFLUYJCMQZCNZ-WDEREUQCSA-N 249.697 2.899 30 40 BFEB C=CCc1ccc(OC(=O)NC(C)C)c(OC)c1 1752962 IPIPRVLYKRYZBI-UHFFFAOYSA-N 249.310 2.921 30 40 BFEB Cn1ccnc1SCc1ccccc1C#N 6652636 VQEFQZMVSHFDPX-UHFFFAOYSA-N 229.308 2.584 30 40 BFEB COc1cccc(C#Cc2cccc(C)n2)c1 13487233 STDHINPODVHROK-UHFFFAOYSA-N 223.275 2.798 30 40 BFEB in-vivo C=CCNC(=O)[C@H](CC)Oc1cc(C)ccc1C 20459770 HKXZNVJMOKMEHW-ZDUSSCGKSA-N 247.338 2.763 30 40 BFEB N#Cc1cccc(CSC2=NCCS2)c1 40158929 TYUVAOFUEKVQEP-UHFFFAOYSA-N 234.349 2.894 30 40 BFEB FC1=C(F)OC(C(F)(F)F)(C(F)(F)F)O1 45329262 YSYRISKCBOPJRG-UHFFFAOYSA-N 244.037 2.920 30 40 BFEB CC(C)n1c(C#N)cc(N)c1N1CCCCCC1 225872377 XDAMVSFNLWEDRF-UHFFFAOYSA-N 246.358 2.903 30 40 BFEB Cc1cc(C)nc(N/N=C/c2cccs2)n1 3893646 FRZVZWYJYVERAP-KPKJPENVSA-N 232.312 2.601 30 40 BFEB O/N=C1/CC[C@H]2CN(C3CCCCC3)C[C@@H]2C1 13154727 LTSLFNBPLYFMAG-DCMULQSBSA-N 236.359 2.881 30 40 BFEB FC(F)(F)Oc1ccc([C@@H]2CO2)cc1 19436444 NUVYGKYZDJEFEQ-QMMMGPOBSA-N 204.147 2.657 30 40 BFEB in-vitro C=C(Cl)CN1CCC(CN(CC)CC)CC1 47978079 QBZLAGMADDUXOI-UHFFFAOYSA-N 244.810 2.793 30 40 BFEB Cc1nc(Sc2nccnc2C#N)sc1C 78447346 XIYYKVRCDMJBMJ-UHFFFAOYSA-N 248.336 2.573 30 40 BFEB C[C@H]1CC[C@H]1COc1cccc(C#N)c1 96526451 VZDSLOFYZRUPDF-JQWIXIFHSA-N 201.269 2.983 30 40 BFEB CC[C@@H](CC#N)OC(=O)c1ccc(F)cc1 195577122 NDXRCKRYWYEOKM-NSHDSACASA-N 221.231 2.675 30 40 BFEB C=CCSc1ccc(OC)c(C(=O)O)c1 218300972 WRPLNFVDBFKVDL-UHFFFAOYSA-N 224.281 2.672 30 40 BFEB COc1cc(OC)c2ncc(C#N)c(Cl)c2c1 19476708 MAHAGCBLKSSMFB-UHFFFAOYSA-N 248.669 2.777 30 40 BFEB in-vitro Cc1ccc(/C=N\Nc2nc(C)cc(C)n2)cc1 34378441 CCASRPVWNMDLJA-DHDCSXOGSA-N 240.310 2.848 30 40 BFEB C=C(C)CSc1nnc(-c2cccnc2)n1C 40456955 DIQGRQTUHYOQJP-UHFFFAOYSA-N 246.339 2.545 30 40 BFEB N#CCCN1CCCC[C@@H]1c1cccnc1 49604889 YGTWBSGWPZULFP-CYBMUJFWSA-N 215.300 2.522 30 40 BFEB biogenic CC(C)(NCC#N)c1cccc(Cl)c1 96491934 OESLZTMWGRVCQE-UHFFFAOYSA-N 208.692 2.688 30 40 BFEB O/N=C1/CCCc2c1[nH]c1ccccc21 100103571 KQJSIMCYBGAJEF-KAMYIIQDSA-N 200.241 2.683 30 40 BFEB CCCCCCCn1ccc([N+](=O)[O-])n1 100412135 AKFVGWUSKUSASG-UHFFFAOYSA-N 211.265 2.762 30 40 BFEB COc1ccc(/C=N/O)cc1C(F)(F)F 100473058 KQSBKKKSRDQAPA-WLRTZDKTSA-N 219.162 2.522 30 40 BFEB CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C#N)C1 216952791 HZWUQHSOFLEGHD-GWCFXTLKSA-N 236.315 2.547 30 40 BFEB CNc1ccc(N2CCCCC2)c(C#N)c1 226280060 VXUOYQAHVLKOMO-UHFFFAOYSA-N 215.300 2.590 30 40 BFEB CC1(C)OC(C(Cl)(Cl)Cl)=CC1=O 269008 SAEYYWMKXJTTTB-UHFFFAOYSA-N 229.490 2.618 30 40 BFEB C=C(C)C[C@H](C)OC(=O)C[N+]1(C)CCCCC1 1813582 GFUNUPBLVGVNED-ZDUSSCGKSA-N 240.367 2.515 30 40 BFEB C/C(O)=C/C(=O)c1ccc([N+](C)(C)C)cc1 16136471 IRZWZUHUMPXQJL-UHFFFAOYSA-O 220.292 2.528 30 40 BFEB CN1CCC(Nc2cc(Cl)ccc2C#N)CC1 36954264 GNKTVPXIISHKCM-UHFFFAOYSA-N 249.745 2.718 30 40 BFEB COc1ccc(C(C)(C)C#N)cc1OC 37934405 OEWDSMNBHDNSTP-UHFFFAOYSA-N 205.257 2.505 30 40 BFEB in-vitro Cc1cc(C)c(C(=O)/C=C/N(C)C)cc1C 72434013 OTOKYVCBTWNKFJ-VOTSOKGWSA-N 217.312 2.870 30 40 BFEB CC(C)(C)OC(=O)N1CC[C@]2(CC[C@H]2C#N)C1 306604401 NYJHPPAGCNEVSD-GXFFZTMASA-N 236.315 2.547 30 40 BFEB CC(=O)Oc1cccc(C(=O)C=C(C)C)c1 309533156 DNSQUNHIDKIHAC-UHFFFAOYSA-N 218.252 2.761 30 40 BFEB O=C(O)c1ccccc1/N=C\c1ccccc1O 6665898 AMNAGEKFWSNOTE-DHDCSXOGSA-N 241.246 2.841 30 40 BFEB N#Cc1ccc(Cn2ccnc2)c2ccccc12 28637748 BLSYBYJHHMRCSI-UHFFFAOYSA-N 233.274 2.956 30 40 BFEB Cc1cc(CC#N)cc(OC(F)(F)F)c1 38529741 QVUHRNMOVVDGKT-UHFFFAOYSA-N 215.174 2.960 30 40 BFEB COC(=O)[C@]1(C)O[C@]1(C)c1cccc(Cl)c1 85657707 JDGYUFHKSLPQQX-NEPJUHHUSA-N 240.686 2.517 30 40 BFEB C#Cc1c(F)cc(C(F)(F)F)cc1F 97436578 MYBVIIGEJDNNRI-UHFFFAOYSA-N 206.113 2.965 30 40 BFEB C=CCC[C@H](C)Nc1ccc2c(c1)oc(=O)n2C 195561788 FWRKOHJJDXLODF-JTQLQIEISA-N 246.310 2.898 30 40 BFEB N#CC1(c2ccc3c(c2)OC(F)(F)O3)CCC1 259516047 PHUHQEMDTRKMIE-UHFFFAOYSA-N 237.205 2.953 30 40 BFEB C(=N/OCc1ccccc1)\c1ccccn1 1644608 OFVXRRHDUXNKLS-XNTDXEJSSA-N 212.252 2.632 30 40 BFEB C=CCCCCN1C(=O)c2ccccc2C1=O 2579424 IORZJOJSTUVEQE-UHFFFAOYSA-N 229.279 2.639 30 40 BFEB O/N=C(/c1ccc(O)cc1O)C1CCCCC1 5943963 YBVACPOFWWVVIC-BUHFOSPRSA-N 235.283 2.856 30 40 BFEB Cc1ccc([C@H](C#N)N2CCCC2)cc1 19934160 WZDRROSDRHZABV-ZDUSSCGKSA-N 200.285 2.656 30 40 BFEB CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C=O 72481759 AJBNQZWFLSWWCY-GWCFXTLKSA-N 241.331 2.659 30 40 BFEB FC(F)(Cl)C(F)(F)[C@@]1(F)OC1(F)F 80440388 OOUGAPJYKWGUNR-UWTATZPHSA-N 232.482 2.742 30 40 BFEB CN(C)/C=C/C(=O)c1ccccc1OC(F)F 85397045 MDSACADXGRBOGQ-BQYQJAHWSA-N 241.237 2.546 30 40 BFEB CCN(CC)CC#Cc1ccc(F)c(C)c1 95632367 VZMJNFJIIOKRPG-UHFFFAOYSA-N 219.303 2.827 30 40 BFEB C[C@@H]1CC[C@H]1COc1cccc(C#N)c1 96526449 VZDSLOFYZRUPDF-PWSUYJOCSA-N 201.269 2.983 30 40 BFEB CCCCCCCC(=O)N1C[C@H](C)OC[C@H]1C 102810921 IQUDBSWHMAKLSU-OLZOCXBDSA-N 241.375 2.983 30 40 BFEB C[C@@H]1CCCC[C@H]1CN(CCC#N)CCC#N 152831113 UAFRMBRGAJEWPZ-KGLIPLIRSA-N 233.359 2.942 30 40 BFEB CC(=O)c1ccc(/N=C/c2cccn2C)cc1 409097095 MLBCPZCOKJZOGM-XNTDXEJSSA-N 226.279 2.978 30 40 BFEB Cc1csc(NC(=O)c2ccco2)c1C#N 53530 WQFKJNHQWALIEN-UHFFFAOYSA-N 232.264 2.774 30 40 BFEB c1ccc(C2OCC3(CC[C@@H]4O[C@@H]4C3)CO2)cc1 3138906 ALNBOXIUYVENNJ-ZUJMUWTESA-N 246.306 2.670 30 40 BFEB C=CCNC(=O)CNc1cccc2ccccc12 9339012 BCQQZMKJYRNFPG-UHFFFAOYSA-N 240.306 2.554 30 40 BFEB O=[N+]([O-])c1cccc(/C=N/c2ccccn2)c1 18056622 UJDGGSJKGFHUBU-NTEUORMPSA-N 227.223 2.740 30 40 BFEB C#CCn1c([C@@H]2CCCO2)nc2ccccc21 20867763 QDKDHUSJFWCZLT-ZDUSSCGKSA-N 226.279 2.521 30 40 BFEB N#C[C@@H]1CCCc2cc3c(nc21)CCCC3 34071312 SOJIKZOLOLHKOH-LBPRGKRZSA-N 212.296 2.904 30 40 BFEB C=C(C)Cn1cnc2ccc(Cl)cc2c1=O 40473939 CEFGDGLIMQXXDE-UHFFFAOYSA-N 234.686 2.626 30 40 BFEB C=CCC1(NC(=O)OC(C)(C)C)CCOCC1 72482007 XKRDZQVAJMONQQ-UHFFFAOYSA-N 241.331 2.636 30 40 BFEB Clc1ccc(C#CCOCc2ncc[nH]2)cc1 96494659 ZAVMWXOVKKYSIK-UHFFFAOYSA-N 246.697 2.631 30 40 BFEB C=CCCOC(=O)c1cn(C)c2ccccc12 35973669 FGROZLLHXKXHRN-UHFFFAOYSA-N 229.279 2.911 30 40 BFEB C=CCNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 53462865 PFMUWFIFGQEAQH-GHMZBOCLSA-N 207.317 2.527 30 40 BFEB COc1cc(C#N)c(F)c(C(F)(F)F)c1 91252353 NBCGJZRRXIWVLY-UHFFFAOYSA-N 219.137 2.725 30 40 BFEB C=CCC[C@H](CC)N[C@@H]1CCCC[C@@H]1O 95967965 WIERRMCYSNNWID-XQQFMLRXSA-N 211.349 2.624 30 40 BFEB C=CCc1cc(C(=O)NCCCC)ccc1OC 408702370 FANLLESHXHJVLX-UHFFFAOYSA-N 247.338 2.954 30 40 BFEB C#CC[N+](C)(C)[C@@H](C#Cc1ccccc1)CC=C 1833688 LYDJZEBXXNBKNQ-QGZVFWFLSA-N 238.354 2.692 30 40 BFEB Cc1ccc(C(=O)Nc2cccc(C#N)c2)o1 6880867 UAXBZIXZGNQHDT-UHFFFAOYSA-N 226.235 2.712 30 40 BFEB COc1cc2cc(C#N)c(Cl)nc2cc1OC 11985197 GETLLXMNDLMIJO-UHFFFAOYSA-N 248.669 2.777 30 40 BFEB COC1(OC)C[C@H]2C[C@@H]1c1c(C#N)cccc12 45071086 LLSHASVSKMSTAW-ZYHUDNBSSA-N 229.279 2.522 30 40 BFEB CCCC[C@@H](O)C#Cc1ccc(F)c(F)c1 95631878 VVCUKADBXHQRRW-LLVKDONJSA-N 224.250 2.867 30 40 BFEB CCCCc1ccc(C#CC(=O)OC)cc1 95633289 SXTNUDRDQSDGLQ-UHFFFAOYSA-N 216.280 2.554 30 40 BFEB C=C[C@H](N)c1ccccc1C(F)(F)F 95643607 LRRHLLIATWWVCM-VIFPVBQESA-N 201.191 2.891 30 40 BFEB CNc1oc([C@H]2C[C@H]2c2ccccc2)nc1C#N 96346150 GGNLZMFFWPYLHL-QWRGUYRKSA-N 239.278 2.859 30 40 BFEB C=CCCc1csc([C@H]2CCOC2)n1 96485563 ZTLSRNASQOLFNB-VIFPVBQESA-N 209.314 2.766 30 40 BFEB C=CCCC(=O)N1C[C@H](C)C[C@@H](C)[C@H]1C 252585931 MENCDQYKGOTJRY-IJLUTSLNSA-N 209.333 2.846 30 40 BFEB CCOC(=O)[C@H](C#N)c1ccc(Cl)cc1F 1776010775 GPNQWGUUTKBLEW-SECBINFHSA-N 241.649 2.649 30 40 BFEB FC(F)OCC(F)(F)[C@H](F)C(F)(F)F 2560095 DVXZKBNTNAKELW-REOHCLBHSA-N 232.070 2.761 30 40 BFEB C=C(C)c1nc2ccc(C)cc2c(=O)o1 3161032 UCMUZDMKGARTEQ-UHFFFAOYSA-N 201.225 2.530 30 40 BFEB O=C1C(=Cc2ccco2)C(=O)[C@H]2CCCC[C@H]12 12402957 IVEWSCQJZRUAHP-QWRGUYRKSA-N 230.263 2.621 30 40 BFEB N#Cc1ccc(C(F)(F)F)c(N)c1Cl 39953668 SZKKVAJTDDYKRO-UHFFFAOYSA-N 220.581 2.813 30 40 BFEB C=C(C)CSc1nnnn1-c1cccc(C)c1 47822689 WYFGPVJFMAFEHI-UHFFFAOYSA-N 246.339 2.639 30 40 BFEB C=CCn1cc(C(=O)NOCC)c2ccccc21 58208738 UUQZZPMPJSRJBW-UHFFFAOYSA-N 244.294 2.509 30 40 BFEB C#CCOC(=O)c1nc(-c2ccco2)sc1C 95948513 LEERZDRYSYLBSY-UHFFFAOYSA-N 247.275 2.502 30 40 BFEB COc1ccc(C#C[Si](C)(C)C)cc1OC 196006474 LYTVGESGELVQRK-UHFFFAOYSA-N 234.371 2.933 30 40 BFEB CC(=O)C/C(=N\C(C)C)[C@@H](C(C)=O)C(C)C 1675059 QDZUXAAKOJCPBC-MNWMYKRDSA-N 225.332 2.676 30 40 BFEB COc1ccc(C(=O)c2cccc(C#N)c2)cc1 2242943 CWEXKDRORMHULO-UHFFFAOYSA-N 237.258 2.798 30 40 BFEB CC[C@H](C)C(=O)Nc1ccc(C#N)cc1 4690688 BBVMMBCJNTZYSA-VIFPVBQESA-N 202.257 2.543 30 40 BFEB C#CC[N+](C)(C)C/C=C(\Cl)C(=C)Cl 5921154 QOWOPTJMCQTILX-POHAHGRESA-N 219.135 2.571 30 40 BFEB CC(C)(C)c1ccccc1OC[C@H]1CO1 9596226 UZYFEQIMORYGRW-SNVBAGLBSA-N 206.285 2.762 30 40 BFEB in-vitro Cl/N=C1/C=C/C(=N\Cl)C(Cl)=C1 17130257 IIGYYCVYWIGCPW-FZPAMEBWSA-N 209.463 2.869 30 40 BFEB O=[N+]([O-])c1ccccc1N/N=C1/C[C@H]2CC=C[C@@H]12 35418429 MQGJLLGDRSSQQU-HDNPNFOBSA-N 243.266 2.959 30 40 BFEB Cc1c(N2CCCCC2)cc(C#N)cc1[N+](=O)[O-] 42109288 IPKXPZYWGRDFBJ-UHFFFAOYSA-N 245.282 2.765 30 40 BFEB C/C(=N\Nc1nc(C)cs1)c1ccccc1O 101392880 FYGMHCQWIFBIIC-NTEUORMPSA-N 247.323 2.993 30 40 BFEB Cc1csc(/N=C\c2ccc([N+](=O)[O-])o2)n1 102881397 OPWJYYKBJLEFLH-WMZJFQQLSA-N 237.240 2.703 30 40 BFEB Oc1ccc(Cl)cc1/C=N\Nc1ccccn1 408730117 NOOWXIGAGLFAOZ-NVNXTCNLSA-N 247.685 2.887 30 40 BFEB COC(=O)c1ccccc1OCCCCC#N 2145434 XESIOEFGGXZWGL-UHFFFAOYSA-N 233.267 2.546 30 40 BFEB C[C@]1(/[N+]([O-])=C/c2ccc(F)cc2)CCCCC1=O 2257510 SDBISDMOUUMBKE-FBKCMUNRSA-N 249.285 2.657 30 40 BFEB CC[C@@H]1CN(Cc2ccccc2)C[C@@H]1C#N 4203266 BIYUBPAZRFIARZ-KGLIPLIRSA-N 214.312 2.668 30 40 BFEB N#CCC1=NC(=O)/C(=C/c2ccc(F)cc2)S1 6606279 NPOWGQJAFLUTTG-YFHOEESVSA-N 246.266 2.752 30 40 BFEB C#CCOc1c(Cl)cc(Cl)cc1C=O 35121185 QYUIVAMKDFVXFG-UHFFFAOYSA-N 229.062 2.818 30 40 BFEB Clc1ccc(C#Cc2ccccc2)nn1 39268045 DIBCAIZIEJRAJQ-UHFFFAOYSA-N 214.655 2.530 30 40 BFEB N#CCN1CCC[C@H]1c1nc2ccccc2s1 48381089 KRLLDFZSONXPLW-NSHDSACASA-N 243.335 2.957 30 40 BFEB C#CCOC(=O)c1csc(-c2ccsc2)n1 49005530 GPIAXRIDLHOLCD-UHFFFAOYSA-N 249.316 2.662 30 40 BFEB C=C(Cl)Cn1ncnc1-c1cccc(C#N)c1 78989772 YSQMXBQSEDNFBG-UHFFFAOYSA-N 244.685 2.569 30 40 BFEB COc1cc(C2(C#N)CCC2)cc(OC)c1OC 84568233 YDNWPWZZQXRQFN-UHFFFAOYSA-N 247.294 2.658 30 40 BFEB C=CCOCCNC1CCCCCCC1 96003204 PHXUYEMXIGSTJL-UHFFFAOYSA-N 211.349 2.892 30 40 BFEB CC(=N\O)/C(C)=N/Nc1ccccc1Cl 104203646 QDTSUZGBUVBNEC-BKKXBQFWSA-N 225.679 2.978 30 40 BFEB N#Cc1cnc(Oc2cnc3ccccc3c2)cn1 191860829 YYDOYYQPXWDVGQ-UHFFFAOYSA-N 248.245 2.689 30 40 BFEB C[Si](C)(C)C#Cn1cccc1[Si](C)(C)C 195811905 KQBLPKLVFBZREJ-UHFFFAOYSA-N 235.479 2.720 30 40 BFEB CN(C)C(=O)Sc1cc(Cl)cc(C#N)c1 1857780007 SDCVXLRPELRZIA-UHFFFAOYSA-N 240.715 2.985 30 40 BFEB C=CCOc1c(F)c(F)c(F)c(F)c1F 8698374 MYRHORGTVILPRU-UHFFFAOYSA-N 224.128 2.947 30 40 BFEB O=C(NCC#Cc1ccccc1)c1ccsc1 12892119 IKNAGQBWFDNUSJ-UHFFFAOYSA-N 241.315 2.530 30 40 BFEB CNc1nc(-c2ccc(C#N)cc2)cs1 14116354 TYGNMCAGUHPZDD-UHFFFAOYSA-N 215.281 2.723 30 40 BFEB N#CC1CCN(C(=O)c2ccc(Cl)cc2)CC1 32104209 AFHSTOOVKQFRTQ-UHFFFAOYSA-N 248.713 2.716 30 40 BFEB N#Cc1ccc(N2CCc3ccccc32)c(N)c1 35674207 WQTXHFSCUQRCCI-UHFFFAOYSA-N 235.290 2.835 30 40 BFEB CCCC[C@@H](O)C#Cc1cc(F)cc(F)c1 95631921 HBKWQKKEWCCZHC-CYBMUJFWSA-N 224.250 2.867 30 40 BFEB N#Cc1ccncc1OC1CCCCC1 135618385 SPKRRJXDJLIEGQ-UHFFFAOYSA-N 202.257 2.665 30 40 BFEB CC[C@H](CC#N)OC(=O)c1cscc1C 187949859 YZHVHBANGPHSOD-SECBINFHSA-N 223.297 2.906 30 40 BFEB N#Cc1ccccc1COC(=O)c1cccs1 7005215 QTOPAXRBDNMTJK-UHFFFAOYSA-N 243.287 2.977 30 40 BFEB O=C(/C=C/c1ccccc1O)c1cccc(O)c1 16957415 KAMRNYCNWDARJA-CMDGGOBGSA-N 240.258 2.994 30 40 BFEB CN(C(=O)OC(C)(C)C)c1cccc(C#N)c1 61954571 DIHGHTANVNPYDD-UHFFFAOYSA-N 232.283 2.930 30 40 BFEB CC(C)(C)OC(=O)N[C@H]1CC[C@H](C#N)CC1 100007007 QHZJRHRMFIDRFL-AOOOYVTPSA-N 224.304 2.593 30 40 BFEB CC(C)(C)c1ccc(C(=O)CC=O)cc1 101644275 GGZAWBIVGRITPP-UHFFFAOYSA-N 204.269 2.756 30 40 BFEB CCCCCCCCC/C=N\NC(=N)N 104047109 QMJRRIATRJCIOK-UVTDQMKNSA-N 212.341 2.596 30 40 BFEB CC(C)=CC(=O)c1ccc(N(C)C)cc1 161082095 DUBQBUCSNKDGNN-UHFFFAOYSA-N 203.285 2.902 30 40 BFEB C#CCOc1c(C)cc(Cl)cc1C#N 225286831 WUPJQRQQOOPEND-UHFFFAOYSA-N 205.644 2.532 30 40 BFEB C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC=C(C)CC[C@@H]12 299806219 XQVSREKNQZKAKU-BFHYXJOUSA-N 248.322 2.522 30 40 BFEB biogenic,in-vitro CCC/C=C(\C)[C@@](C)(C#N)C(=O)OCC 1716490 AWYSUBWNOACNNC-ZJNQMXKESA-N 209.289 2.826 30 40 BFEB C#CC1(OC(OCC)OCC)CCCCC1 4343320 DVALXHOXANXURN-UHFFFAOYSA-N 226.316 2.696 30 40 BFEB C/C(=N/NC(N)=S)c1ccc(C(C)(C)C)cc1 6562185 JHESMDRAHQLJII-DHDCSXOGSA-N 249.383 2.541 30 40 BFEB N#Cc1ccc(NC(=O)c2ccccc2O)cc1 19507237 FUAUEJWQTUPNQR-UHFFFAOYSA-N 238.246 2.516 30 40 BFEB CN(c1ccc(C#N)cc1N)C1CCCCC1 35674197 KENZKKAEJRFUJK-UHFFFAOYSA-N 229.327 2.909 30 40 BFEB N#Cc1ccc(N2CC[C@H]2c2ccccc2)nc1 48365534 HEQOIEVUIUGIKP-AWEZNQCLSA-N 235.290 2.905 30 40 BFEB Cn1cc(C(=O)/C=C/c2cccc(Cl)c2)cn1 49151478 JAEVWFWWOBTMRY-AATRIKPKSA-N 246.697 2.970 30 40 BFEB C#Cc1cccc(N(Cc2ccco2)C(C)=O)c1 89930370 RCROWRKWIQBYQP-UHFFFAOYSA-N 239.274 2.814 30 40 BFEB CCC[C@H](C#N)NC(=O)c1cc(C)sc1C 89949396 FRXJTSMBNHPGPR-SNVBAGLBSA-N 236.340 2.787 30 40 BFEB C#CCNc1ccc(C(C)=O)c(Cl)c1 97083517 UOTABAQFDXNNKK-UHFFFAOYSA-N 207.660 2.588 30 40 BFEB CC[C@@H](CC#N)OC(=O)c1cc(Cl)cn1C 188024353 ADCAWDMOBLJKCB-VIFPVBQESA-N 240.690 2.528 30 40 BFEB N#Cc1ccccc1C#Cc1ccccc1 2245486 OBWIZHHYPZTWPM-UHFFFAOYSA-N 203.244 2.958 30 40 BFEB CCc1ccc(C(=O)Nc2ccc(C#N)cc2)o1 40510976 SAKKHEYYRIXPBE-UHFFFAOYSA-N 240.262 2.966 30 40 BFEB C=C(C)C(=O)OC1C2CC3CC(C2)CC1C3 55167654 DMMOZSFQHREDHM-UHFFFAOYSA-N 220.312 2.930 30 40 BFEB C=C1C(=O)O[C@@H]2[C@@H]3O[C@]3(C)CC/C=C(\C)CC[C@H]12 117004618 KTEXNACQROZXEV-KVQQJBJPSA-N 248.322 2.762 30 40 BFEB C=CC[C@](C#N)(C(=O)OCC)/C(C)=C/C 1717292 GDDASZVCTRBTHO-GCZGVDRJSA-N 207.273 2.602 30 40 BFEB COc1ccc(-n2cccc2C(=O)CC#N)cc1 85396832 UYMWXBWHTIBKJB-UHFFFAOYSA-N 240.262 2.582 30 40 BFEB C=CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 9614898 OBXDDNROUKSLTK-UHFFFAOYSA-N 238.352 2.944 30 40 BFEB C=C1OC(=O)O[C@]1(C)[C@@H]1C[C@H]2C=C[C@H]1C2 100016605 WRUOIXMDVJRLKX-GUDRVLHUSA-N 206.241 2.638 30 40 BFEB O=c1c(/C=N/O)coc2c1ccc1ccccc12 100916395 ZTEMFWFOZWIPEE-VIZOYTHASA-N 239.230 2.754 30 40 BFEB CN(C)/C=N\c1ccc([N+](=O)[O-])c2ccccc12 103046620 GYPMYHHWJKLXEC-ZROIWOOFSA-N 243.266 2.969 30 40 BFEB CC(=O)c1c(C)cccc1NC(=O)C(C)(C)C#N 157764371 GOYDXQHIHJGFEH-UHFFFAOYSA-N 244.294 2.686 30 40 BFEB N#Cc1cc2ncn(C3CC3)c2cc1Cl 225727975 HIAXPWPMICOIBI-UHFFFAOYSA-N 217.659 2.896 30 40 BFEB C#CCN[C@H](C)C12CC3CC(CC(C3)C1)C2 7538667 SGLAACNKRHNTTE-SHIHICALSA-N 217.356 2.814 30 40 BFEB CCCC/C(=N\O)c1cc(OC)ccc1O 16637460 ZBOAGNRJRCSYGC-ACCUITESSA-N 223.272 2.769 30 40 BFEB CN(C)c1ccc(/C=N\N=C/c2ccco2)cc1 16919307 YGENLWYNHAZKMQ-XCMCHEKJSA-N 241.294 2.799 30 40 BFEB COc1ccc(NC(=O)C2(C#N)CCCC2)cc1 20962451 JGFRNCLENJMCMO-UHFFFAOYSA-N 244.294 2.718 30 40 BFEB C=CCN(CC=C)C(=O)c1cc(Cl)ccn1 36804727 LCJPDXNAQKTGTI-UHFFFAOYSA-N 236.702 2.549 30 40 BFEB C=C(C)Cc1cc(OC)c(OC)c(OC)c1 43208812 MJYYQQNNHGCZNV-UHFFFAOYSA-N 222.284 2.831 30 40 BFEB Cc1ccc(C)c(NC(=O)NC[C@H](C)C#N)c1 75109135 RRGDAGAOJBWPBA-SNVBAGLBSA-N 231.299 2.585 30 40 BFEB COc1ccc(/C(C)=N/N2CCCCC2)c(O)c1 102848436 LAYOKEVAZVLUSZ-RVDMUPIBSA-N 248.326 2.611 30 40 BFEB Cc1ccc(C(=O)/C=C/c2cnn(C)c2C)o1 6924010 FRUCPXWMZQVQFW-AATRIKPKSA-N 230.267 2.526 30 40 BFEB CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@]1(C)CO1 42331933 DZFWGPZAYORATG-ZWNOBZJWSA-N 241.331 2.565 30 40 BFEB COCC[C@@H](NCC#N)c1ccc(Cl)cc1 96492418 ZTRAHQQDJKHGIA-GFCCVEGCSA-N 238.718 2.531 30 40 BFEB CN(C)/C=N\c1cc2c3c(c1)CCCN3CCC2 104147413 BHRUROHXOGDXAK-WJDWOHSUSA-N 243.354 2.607 30 40 BFEB C[Si](C)(C)C#Cc1ccccc1C(=O)O 169807654 QNIRFRFJUNXYMH-UHFFFAOYSA-N 218.328 2.614 30 40 BFEB O/N=C1\[C@H]2CC[C@H](C2)[C@@H]1N1CCc2ccccc21 5673238 DDKRBZOPNHMSEE-JGYDMSKGSA-N 242.322 2.678 30 40 BFEB Cc1ccc(/N=C2/NC(=O)[C@H](C)S2)c(C)c1 8410619 FAIWJUQEJROGMG-VIFPVBQESA-N 234.324 2.542 30 40 BFEB C[C@@H]1C[C@@H](C)CN([C@H]2/C(=N/O)[C@H]3CC[C@@H]2C3)C1 16608490 APPXPFIAWDFJGB-RADWYQBESA-N 236.359 2.593 30 40 BFEB COc1ccccc1C(=O)CCCCC#N 43212779 ZIFRJUWVDWIDDI-UHFFFAOYSA-N 217.268 2.962 30 40 BFEB CC(C)COc1cc(O)c(C#N)cc1Cl 72226007 QVAOHHCSUFCRFN-UHFFFAOYSA-N 225.675 2.952 30 40 BFEB N#Cc1c(F)cc(C(F)(F)F)cc1F 97442037 ZVKLINKGMMDUAF-UHFFFAOYSA-N 207.101 2.855 30 40 BFEB in-vitro N#CCOc1c(Cl)cccc1Cl 2159649 LVLKWYRHTDZICQ-UHFFFAOYSA-N 202.040 2.896 30 40 BFEB N#C[C@@H](C(=O)c1ccccn1)c1ccccc1 3844311 HJIUXGYRVYCLHJ-GFCCVEGCSA-N 222.247 2.572 30 40 BFEB biogenic C=CCSc1nnc(-c2ccc(O)cc2)o1 4434191 LDXGQFKIVMRSFF-UHFFFAOYSA-N 234.280 2.720 30 40 BFEB O/N=C1C(=C\c2ccccc2)/N2CCC/1CC2 5119070 HRIJKLAHYFFWJZ-HFEXRDJISA-N 228.295 2.583 30 40 BFEB S=C(NCc1ccccc1)NN=C1CCCC1 5119846 RFVUAUCCXYHREQ-UHFFFAOYSA-N 247.367 2.581 30 40 BFEB N#CC[C@@H]1CC(=O)c2[nH]c3ccccc3c2C1 8628442 MQUZKNZMUMRHBL-VIFPVBQESA-N 224.263 2.827 30 40 BFEB Cc1cccc(NC(=O)c2ccc(C#N)cc2)n1 12538317 AXSOUIICIQVSBZ-UHFFFAOYSA-N 237.262 2.514 30 40 BFEB CCOc1ccc(Nc2oc(C)nc2C#N)cc1 27740730 RTPPZPLWBORBRC-UHFFFAOYSA-N 243.266 2.997 30 40 BFEB N#CCN1CCC(Cc2ccc(F)cc2)CC1 59511411 FFOFYQAJKGSZBI-UHFFFAOYSA-N 232.302 2.604 30 40 BFEB Cc1cc(C)c(C#N)c(SCc2ccon2)n1 73969039 APEJOZDYXNWKPI-UHFFFAOYSA-N 245.307 2.850 30 40 BFEB CC(C)c1nc(Cl)c(C#N)c2c1CN(C)CC2 96509709 NGJLCPBBZIONTB-UHFFFAOYSA-N 249.745 2.718 30 40 BFEB CCCCCCC[C@H]1OCC2=C1C(=O)OC2 100156904 RZJOQWGCSRXCLA-LLVKDONJSA-N 224.300 2.599 30 40 BFEB biogenic,in-vitro CC1CCN([C@@H]2/C(=N\O)Cc3ccccc32)CC1 100964849 WSZPODVTGNWCPO-RIBQPWQFSA-N 244.338 2.846 30 40 BFEB O=CCC1CC(OCc2ccccc2)C1 307347560 XTFCJIIXNFGEOA-UHFFFAOYSA-N 204.269 2.571 30 40 BFEB C=C1CCCN(C(=O)Nc2cccs2)C1 667619415 LZHHRKFDHNOJHJ-UHFFFAOYSA-N 222.313 2.932 30 40 BFEB N#Cc1cnccc1Oc1ccccc1C=O 685937869 XXYQGHGALOUTBP-UHFFFAOYSA-N 224.219 2.558 30 40 BFEB N#CCCOc1cccc(Br)c1 19434795 NFFXECDJQLCAJE-UHFFFAOYSA-N 226.073 2.742 30 40 BFEB in-vitro O/N=C/c1ncc(C(F)(F)F)cc1Cl 100234792 KXUNVNMUPGNMEG-QLKAYGNNSA-N 224.569 2.562 30 40 BFEB C#CC(=O)c1cc(C)ccc1Br 161823381 SGLTXQOTEIFWRJ-UHFFFAOYSA-N 223.069 2.573 30 40 BFEB C=CCCCCCC/C(=C/CC(=O)O)C(=O)O 514287737 IQDBNCDDNJCNDB-LUAWRHEFSA-N 240.299 2.999 30 40 BFEB biogenic,in-vitro N#Cc1ccc(NC(=O)c2cccs2)cc1 138189 LXYSTXOKGMXKEQ-UHFFFAOYSA-N 228.276 2.872 30 40 BFEB CC(C)=NN1C(=O)c2ccccc2NC1(C)C 549977 IYFQTKRPLULTFL-UHFFFAOYSA-N 231.299 2.686 30 40 BFEB Cc1ccc(NC(=O)c2ccc(C#N)cc2)nc1 12538895 CMDHMRWJCNHQRU-UHFFFAOYSA-N 237.262 2.514 30 40 BFEB N#Cc1ccc(NC(=O)Cc2ccsc2)cc1 20252389 PDCKRJSVAHDHJP-UHFFFAOYSA-N 242.303 2.801 30 40 BFEB C=C(C)CN(CC)Cc1nc(C(C)(C)C)no1 58403734 BPGKDTBAWJOHKP-UHFFFAOYSA-N 237.347 2.765 30 40 BFEB Cn1ncc2c1CC/C(=C\c1ccccc1)C2=O 89745428 PTSLBEOBOOBLFN-FMIVXFBMSA-N 238.290 2.633 30 40 BFEB CCCC#Cc1cc(OC)ccc1OC 95632961 MEHZCJXKDYFKJH-UHFFFAOYSA-N 204.269 2.855 30 40 BFEB CCCCCCCCCCOC(=O)NCCO 104364910 KKWYDPRJDPTIJF-UHFFFAOYSA-N 245.363 2.846 30 40 BFEB CCc1c(N)cc(C#N)n1Cc1cccc(F)c1 225854827 AXJMOPIGOKSVPG-UHFFFAOYSA-N 243.285 2.692 30 40 BFEB CCn1cccc1/C=N/Nc1ccccc1 408937553 RBPUYKGDQWVXPV-SDNWHVSQSA-N 213.284 2.954 30 40 BFEB CCCCC#Cc1cncc(C(=O)OCC)c1 2576640 ZDGQOKBLSRSXJR-UHFFFAOYSA-N 231.295 2.800 30 40 BFEB C=C1CC[C@@H]2[C@@H](CC2(C)C)C(=O)CC[C@@H]1O 4476635 BSFUDCIRZBAPDS-UTUOFQBUSA-N 222.328 2.709 30 40 BFEB endogenous,in-man C[C@H]1S/C(=N\c2cccc(Cl)c2)NC1=O 8534329 IPZKOYOOTZBBAZ-ZCFIWIBFSA-N 240.715 2.579 30 40 BFEB Cc1ccccc1CNc1ccc(C#N)cn1 12984275 SYYCNOGJWYTZIK-UHFFFAOYSA-N 223.279 2.874 30 40 BFEB CC(=O)N1CCCS/C1=N\c1ccccc1 18037280 WBTXDACVNVIZBS-SEYXRHQNSA-N 234.324 2.660 30 40 BFEB CC(C)(C)OC(=O)N1CCC(CCC=O)CC1 38531741 KJGPCTZYGOOHBK-UHFFFAOYSA-N 241.331 2.613 30 40 BFEB C=C1Cn2c(nnc2-c2ccccc2)S1 45951894 WCHVAJQQBVTXQA-UHFFFAOYSA-N 215.281 2.565 30 40 BFEB C=CCNC(=O)N[C@@H]1CCCc2ccccc21 48289099 RWBSCKKKUUWBAP-CYBMUJFWSA-N 230.311 2.549 30 40 BFEB OC1(C#Cc2cccc(F)c2)CCCCC1 95632428 KMISYKBXZHZGKT-UHFFFAOYSA-N 218.271 2.872 30 40 BFEB CC(C)(C)OC(=O)N1CCCC12CC(C#N)C2 199440244 WYCNLUXRGLFHJA-UHFFFAOYSA-N 236.315 2.690 30 40 BFEB N#Cc1cc(N)c(Cl)n1Cc1ccc(F)cc1 225890316 NENIGSTVFAZWJB-UHFFFAOYSA-N 249.676 2.783 30 40 BFEB CC1=CCCC2=C[C@@H](OC2=O)C(C)(C)C=CC1=O 263636035 CAHQQYHQUHYOGU-CYBMUJFWSA-N 246.306 2.730 30 40 BFEB biogenic,in-vitro N#Cc1ccc(CNCc2cccc(F)c2)cc1 20473406 RJVTVZOLWCUHKR-UHFFFAOYSA-N 240.281 2.987 30 40 BFEB in-vitro C[C@H](S)CCc1ccc2c(c1)OCO2 20476547 ZEELQHBCVNJAEJ-QMMMGPOBSA-N 210.298 2.666 30 40 BFEB C=CCOc1nc2cc(C)ccc2cc1/C=N/O 36624769 SDPIJZSUUGWOEX-OQLLNIDSSA-N 242.278 2.916 30 40 BFEB N#Cc1cccc(CNc2ccc(O)cc2)c1 37131881 RHHYFDABVIJXBE-UHFFFAOYSA-N 224.263 2.876 30 40 BFEB C=CCOc1cc(C(=O)NCC)cc2occc12 72240274 DMPLHGBMTJCKAQ-UHFFFAOYSA-N 245.278 2.747 30 40 BFEB N#Cc1cc(F)cc(F)c1Br 75927326 KDDKQAPQOJGHIK-UHFFFAOYSA-N 218.000 2.599 30 40 BFEB in-vitro CC(=O)c1cc(C#N)cn1Cc1ccccc1 78404439 FREWRCRXVAJDJF-UHFFFAOYSA-N 224.263 2.611 30 40 BFEB C[C@H]1CN(CCC#N)[C@@H]1c1ccccc1 81574923 IHBGPAIJCXSXBC-AAEUAGOBSA-N 200.285 2.593 30 40 BFEB CCC[C@@H](C#N)NC(=O)c1cc(C)sc1C 89949395 FRXJTSMBNHPGPR-JTQLQIEISA-N 236.340 2.787 30 40 BFEB CCc1ccccc1C#C[C@](C)(O)CC 95632107 KJBHSNNCEFXLRG-CQSZACIVSA-N 202.297 2.762 30 40 BFEB CC(C)(C)[C@H](Sc1cccc(C#N)c1)C(N)=O 96006610 LCPOOPGZDMTLNO-LLVKDONJSA-N 248.351 2.550 30 40 BFEB C=CCN(C[C@@H](O)c1ccc(F)cc1)C1CC1 96424435 KVVUZZWSZJXQDX-CQSZACIVSA-N 235.302 2.510 30 40 BFEB CCCCCCCCCCNC(=O)[C@@H](C)O 104179295 NUXGELRNTBNWTF-GFCCVEGCSA-N 229.364 2.624 30 40 BFEB CC(C)(C)C(=O)/C=C/NCc1ccccc1 211762464 GSSIBBHMAKMBEH-MDZDMXLPSA-N 217.312 2.905 30 40 BFEB C=C(Br)CN(CCCC)C(C)=O 1669317 RYJYWMIAKTXSOR-UHFFFAOYSA-N 234.137 2.544 30 40 BFEB N#Cc1ccc(C#Cc2ccccc2)cc1 4286888 JVUBQICKOVCBNM-UHFFFAOYSA-N 203.244 2.958 30 40 BFEB Cc1ccsc1/C=N/c1ccc(C(N)=O)cc1 288291 CRUXKDXFBYKRQL-OVCLIPMQSA-N 244.319 2.906 30 40 BFEB COc1ccc(C(=O)C=C(C)C)c(O)c1 2564985 GXADWTXRFKYQPG-UHFFFAOYSA-N 206.241 2.550 30 40 BFEB CC[C@H]1CS/C(=N/Cc2ccccc2)N1 5469076 UZCXNNALJXBHPI-NSHDSACASA-N 220.341 2.658 30 40 BFEB CN(C1CCCCC1)[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2 16186678 CIMIGKAAHGMWNY-UWYIXMSKSA-N 236.359 2.880 30 40 BFEB CC/C=C(\CCC)[C@](C)(C#N)C(=O)OC 16929453 MLISISAHOURVHQ-PMDBQALLSA-N 209.289 2.826 30 40 BFEB CCn1nccc1/C=C/C(=O)c1ccccc1O 71785058 MSKBMGPPIDOJQL-BQYQJAHWSA-N 242.278 2.505 30 40 BFEB Cc1ccc2c(c1)c(C)cc(=O)n2CCC#N 85392082 HHMGHFDKNWIHCS-UHFFFAOYSA-N 226.279 2.532 30 40 BFEB N#Cc1ccc(OC(F)(F)F)c(F)c1F 95215462 GWMOLENNARQMQC-UHFFFAOYSA-N 223.100 2.735 30 40 BFEB Cc1cccc2c1C/C(=C/c1cnn(C)c1)C2=O 96404078 LVAXLEUHQZPWFD-SDQBBNPISA-N 238.290 2.551 30 40 BFEB C/C(C[C@@H](O)c1ccc2ccccc2n1)=N/O 100547972 BRHKOJCUSVQRPC-MLJKTZRHSA-N 230.267 2.508 30 40 BFEB Cc1ccc2c(/N=C/N(C)C)c(C=O)[nH]c2c1 100978975 KKRKVPXDCVQJAD-RIYZIHGNSA-N 229.283 2.510 30 40 BFEB C=C[C@H](CC)OC(=O)c1ccc2nccnc2c1 195563186 HXYPBZYCLGQCRT-LLVKDONJSA-N 242.278 2.751 30 40 BFEB N#Cc1cnccc1Oc1ccc(C=O)cc1 685937680 NMHGJGOYNHIXEA-UHFFFAOYSA-N 224.219 2.558 30 40 BFEB C[C@@H]1Cc2c(Br)cccc2/C1=N/O 1775955715 BOJPQWPVJLRDSH-GJOZEXJASA-N 240.100 2.820 30 40 BFEB CN(C)N=C1c2ccccc2-c2ccccc21 1761484 GBPYYKNMFRFNLA-UHFFFAOYSA-N 222.291 2.981 30 40 BFEB CCC/N=C/c1cc2cc(C)ccc2[nH]c1=O 13750549 YSQIHCBDAWNDPV-OQLLNIDSSA-N 228.295 2.665 30 40 BFEB C[C@@H](C=O)c1ccc(Br)cc1 32012775 WJTCCULQAHZZRE-ZETCQYMHSA-N 213.074 2.752 30 40 BFEB in-vitro C#CCNC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 32843818 HWNARMPAGLEEFF-LBPRGKRZSA-N 244.338 2.803 30 40 BFEB CC[C@@H](C)/N=C(/N)NCC(C)(C)c1ccccc1 58184919 ZVMLFLSQBZIHQV-GFCCVEGCSA-N 247.386 2.667 30 40 BFEB CCO[C@H](C)OCC#Cc1cc(F)cc(F)c1 95631888 WKKUJRRRRXOCTQ-JTQLQIEISA-N 240.249 2.715 30 40 BFEB CC[C@H](NCC#N)c1ccc(OC(F)F)cc1 96492262 SGCXFNAYWMIDPQ-NSHDSACASA-N 240.253 2.852 30 40 BFEB N#CCNC1(Cc2ccccc2)CCCC1 97112696 PYHOLZWISOWJTQ-UHFFFAOYSA-N 214.312 2.655 30 40 BFEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N\O 100015611 FXCSSKUVKXTGJN-QPEQYQDCSA-N 235.674 2.642 30 40 BFEB CCCCCn1c(C#N)cc(N)c1OC(C)C 225874792 NLCNXYXKDDKABB-UHFFFAOYSA-N 235.331 2.919 30 40 BFEB C[C@H]1CC/C(=N\N(C)C)c2ccccc21 5124574 LOCXZNJWIVUBBA-NJERVBSYSA-N 202.301 2.850 30 40 BFEB N#Cc1ccc(C(=O)Nc2ccccc2O)cc1 9478789 OLTHLSRRWJDZLO-UHFFFAOYSA-N 238.246 2.516 30 40 BFEB C=C(CN(C)C)C(=O)c1cc(C)ccc1C 61860577 BNDBZMVGPBMKJD-UHFFFAOYSA-N 217.312 2.604 30 40 BFEB C=CCN1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 77028432 MUDUFRFJYXOJGQ-IYBDPMFKSA-N 242.366 2.521 30 40 BFEB C#CCCCCC(=O)Nc1ccnn1C(C)(C)C 97101448 BHZHIMSLCSNVTQ-UHFFFAOYSA-N 247.342 2.770 30 40 BFEB CC(C)C(=O)N1c2ccccc2[C@@H](C=O)C[C@H]1C 217549775 ITIXEQRDDZXHDL-VXGBXAGGSA-N 245.322 2.750 30 40 BFEB Cc1ccc(Oc2c(N)cc(C#N)n2C)cc1C 225885463 MNEJJZFROKAONX-UHFFFAOYSA-N 241.294 2.888 30 40 BFEB CCCCCC[C@H]1/C(=N/O)CC[C@H]1C(=O)OC 4466780 PGALRUISDKOHMZ-HDPZEZBOSA-N 241.331 2.986 30 40 BFEB C=CCOc1ccc(/C=C/C(=O)O)cc1OCC 5953497 YDDKWIDLXQIIOH-SOFGYWHQSA-N 248.278 2.748 30 40 BFEB N#Cc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 13017583 KJTLRJAJNJWRCG-GFCCVEGCSA-N 226.279 2.853 30 40 BFEB N#CCc1cccc(F)c1Br 16158465 FNRKRGGFBOTOAT-UHFFFAOYSA-N 214.037 2.654 30 40 BFEB COc1ccccc1/C=N\N1CCCCCC1 17354157 KJFAUMYHFWJGHH-QINSGFPZSA-N 232.327 2.905 30 40 BFEB Fc1ccc(-c2cc(CS)no2)cc1 57938901 XZCKYCKTDXNTFL-UHFFFAOYSA-N 209.245 2.911 30 40 BFEB CCOCCOc1ccc(C#N)c(Cl)c1 61851312 BVBFMIPWFXOKGA-UHFFFAOYSA-N 225.675 2.627 30 40 BFEB N#Cc1c(O)ccc(Br)c1Cl 169799922 VGWIBDIWWCPHJC-UHFFFAOYSA-N 232.464 2.680 30 40 BFEB Cc1ccc2cc(CCC#N)cnc2c1[N+](=O)[O-] 256053989 UMCCBTYMFXWMQR-UHFFFAOYSA-N 241.250 2.908 30 40 BFEB C=C1C[C@@H]2CC[C@H](C1)N2c1ncc(Cl)cn1 664572379 SVNWDRLXOUPVOT-PHIMTYICSA-N 235.718 2.817 30 40 BFEB Cn1cc(-c2cccc(Cl)c2)cc(C#N)c1=O 3133104 NBHOCGLPOJIFHZ-UHFFFAOYSA-N 244.681 2.577 30 40 BFEB O/N=C(\c1ccccc1)c1ccc(O)cc1 5031505 BINATKJGYKUBBZ-BUHFOSPRSA-N 213.236 2.619 30 40 BFEB Cc1ccc(O)c([C@H]2C[C@H](C#N)CCN2C)c1 5567060 YEGJVIHJYPGMMW-DGCLKSJQSA-N 230.311 2.607 30 40 BFEB C[C@H]1CC[C@@H](C)N1CC#CCN1[C@@H](C)CC[C@H]1C 5742842 ZOBJQBSGGXBNDB-GEEKYZPCSA-N 248.414 2.735 30 40 BFEB Cc1ccc(-c2nnc(SCC#N)o2)cc1C 5804764 JYCUHUZYOYGBFN-UHFFFAOYSA-N 245.307 2.969 30 40 BFEB CNc1sc2c(c1C#N)CC[C@H](C)C2 62796687 QLWBJIJNQUXCBF-ZETCQYMHSA-N 206.314 2.786 30 40 BFEB N#CCCOc1cc(F)ccc1Br 89064043 JPUZSTPXHYMONB-UHFFFAOYSA-N 244.063 2.881 30 40 BFEB CC(C)[C@@H](O)CCN[C@@H](C)c1cccc(C#N)c1 97034574 NHVZRNFEWNZTGH-WFASDCNBSA-N 246.354 2.616 30 40 BFEB N#Cc1ccncc1Oc1ccccc1F 135620595 MSCBANQKEGJQOC-UHFFFAOYSA-N 214.199 2.885 30 40 BFEB Cc1ccc(NC(=O)C2(C#N)CC2)cc1Cl 156817727 JVKHZWQEJNINOT-UHFFFAOYSA-N 234.686 2.891 30 40 BFEB CN(C)c1ccc(C(F)F)c(F)c1C#N 575629393 VEXFHUYQDGEUTF-UHFFFAOYSA-N 214.190 2.701 30 40 BFEB N#CC1(Nc2ccc(C(=O)O)cc2)CCCC1 1675866 DTMXGYWHTNQZDX-UHFFFAOYSA-N 230.267 2.633 30 40 BFEB O=C(NCC#Cc1ccccc1)[C@H]1CC=CCC1 12854966 RZHKIYLLVAKBFA-HNNXBMFYSA-N 239.318 2.511 30 40 BFEB CS/C(=N\C1CC1)N1CCC(C)CC1 32627812 ZMPQXGPBCKJIRV-QXMHVHEDSA-N 212.362 2.600 30 40 BFEB COc1ccc(CC#N)cc1OC(F)(F)F 91252272 ODCXKGJQTLIKAX-UHFFFAOYSA-N 231.173 2.660 30 40 BFEB CCCC(CCC#N)(CCC#N)C(C)=O 96193741 LZECHNJXHLXCFX-UHFFFAOYSA-N 206.289 2.969 30 40 BFEB CCNc1oc(-c2cccc(F)c2)nc1C#N 96346372 MHTXQZYPRQAAGD-UHFFFAOYSA-N 231.230 2.784 30 40 BFEB CCc1c(C#N)c(Cl)nc2c1CCC2 96511087 BJDIEVJUZXTLIV-UHFFFAOYSA-N 206.676 2.658 30 40 BFEB CCCCCCCC(=O)N1C[C@@H](C)OC[C@H]1C 102810926 IQUDBSWHMAKLSU-CHWSQXEVSA-N 241.375 2.983 30 40 BFEB C=CC[C@H](C)NC(=O)N1CCCC1(C)C 193876527 NONDIHFPIITJLK-JTQLQIEISA-N 210.321 2.535 30 40 BFEB CC(=NNc1ccccc1)c1ccccn1 254292786 IAHWYHYXNQDZNV-UHFFFAOYSA-N 211.268 2.918 30 40 BFEB C[C@H](Nc1cc(C#N)ccn1)c1cccc(O)c1 330032795 RWOAPIQAOYGFCM-JTQLQIEISA-N 239.278 2.832 30 40 BFEB CCOC(=O)c1[nH]ccc1-c1ccc(C#N)cc1 1772715089 UUXLXQUZEPVPKW-UHFFFAOYSA-N 240.262 2.730 30 40 BFEB C(#Cc1ccccc1)CNC1CCCCC1 16451158 VGMDGANWVZCDDL-UHFFFAOYSA-N 213.324 2.960 30 40 BFEB N#Cc1cccc(CNC2CCCC2)c1 19883374 WICMDFYUHKQABX-UHFFFAOYSA-N 200.285 2.590 30 40 BFEB CCCC/N=C\c1nc2ccccc2n1C 51012476 RAQZDIVPEIVCQD-UVTDQMKNSA-N 215.300 2.792 30 40 BFEB C[C@H](OC(=O)C1=CCCC1)C(C)(C)C#N 96483895 CLFVYFAFOYZLEB-VIFPVBQESA-N 207.273 2.578 30 40 BFEB C=CCCC(=O)c1ccc(OC)c(F)c1 106889616 IUAZHWQIVZDBAA-UHFFFAOYSA-N 208.232 2.983 30 40 BFEB N#CC(C#N)=NNc1cc(Cl)cc(Cl)c1 110918 PMBDYEGXPRAQBK-UHFFFAOYSA-N 239.065 2.808 30 40 BFEB CO/N=C/CC(=O)c1cc(-c2ccccc2)no1 4084978 NRQIZPSOLMEXHC-RIYZIHGNSA-N 244.250 2.547 30 40 BFEB Oc1ccc(/C=N/Nc2ccccc2)cc1 5483295 YHAWESUIYFBDOI-GXDHUFHOSA-N 212.252 2.838 30 40 BFEB O=C(O)/C(=N/Nc1ccccc1)c1ccccc1 8602632 BJIRGSLXYCEUMW-DTQAZKPQSA-N 240.262 2.587 30 40 BFEB N#Cc1ccc(CO/N=C/c2ccco2)cc1 9453331 ASVJTIRZIQVMGB-OQLLNIDSSA-N 226.235 2.702 30 40 BFEB Cc1ccc(C(=O)/C=C\[n+]2ccccc2)cc1 33373992 KMSQMKXKSPRSQJ-XFXZXTDPSA-N 224.283 2.636 30 40 BFEB COc1ccc(F)cc1C#Cc1cccc(N)c1 37547873 RERFIHSUKQKPNT-UHFFFAOYSA-N 241.265 2.816 30 40 BFEB CCN(C(=O)Nc1ccc(C#N)cc1)C1CC1 45310576 CSQXOAXMBRQLOI-UHFFFAOYSA-N 229.283 2.574 30 40 BFEB Cc1ccc(/C(=N\O)C(F)(F)F)cc1 100039870 HWQOIGLJELXUJT-MDWZMJQESA-N 203.163 2.736 30 40 BFEB C=C1C[C@@H]2CC[C@H](C1)N2c1ncnc2c1CCC2 853953409 UFARBTFESIUYLV-TXEJJXNPSA-N 241.338 2.653 30 40 BFEB O=C1C(=Cc2ccncc2)C(=O)c2ccccc21 102707 ZVCKKHFJWNCDQM-UHFFFAOYSA-N 235.242 2.544 30 40 BFEB COc1ccc(/C=C2\CCCC2=O)cc1 1711955 NKLZMIMNDAOSEC-PKNBQFBNSA-N 202.253 2.832 30 40 BFEB CCOc1c(Cl)cc(C#N)cc1OC 2656563 ZZHNEMWUMPVWCV-UHFFFAOYSA-N 211.648 2.619 30 40 BFEB N#Cc1cccc(NC(=O)Cc2ccsc2)c1 6287503 COMYZHZRXRYZIA-UHFFFAOYSA-N 242.303 2.801 30 40 BFEB CCN(C[C@H](C)C#N)C(=O)c1ccc(C)s1 42295917 NEPTXXQUVJGBEH-SECBINFHSA-N 236.340 2.678 30 40 BFEB CC[C@@H](C)C(=O)N[C@@H](C#N)c1ccccc1F 71889076 BBLSDWXNFANPKJ-SKDRFNHKSA-N 234.274 2.553 30 40 BFEB N#Cc1cccnc1SC(F)(F)F 91252750 NIBZRAZILAJJIA-UHFFFAOYSA-N 204.176 2.565 30 40 BFEB CC[C@@H]1CCCCN1[C@H]1/C(=N/O)[C@H]2CC[C@H]1C2 257345263 FVJURVRWXRJNLR-IWJNMDARSA-N 236.359 2.880 30 40 BFEB Oc1ccccc1/C=N/Nc1ccc(F)cc1 4933293 AFQACLAZLAEXFK-OQLLNIDSSA-N 230.242 2.977 30 40 BFEB CC(C)NC(=S)NN=C1CCCCCC1 5119970 PINMLZUOZBUPKP-UHFFFAOYSA-N 227.377 2.569 30 40 BFEB Cc1cc(Cl)ccc1-n1nc(C)c(C#N)c1N 39202591 IXHXLGJAFGWRIU-UHFFFAOYSA-N 246.701 2.596 30 40 BFEB CN(Cc1cccc(C#N)c1)C(=O)CC(C)(C)C 40498631 INHKMOKJGSIDIC-UHFFFAOYSA-N 244.338 2.953 30 40 BFEB COc1ccc(OC)c2c1[C@@H]1CC[C@H]2[C@@H]2O[C@]12C 45070953 DGWBAYBQBBTILR-UTBFZLOTSA-N 246.306 2.836 30 40 BFEB N#CCCCN1CC[C@H](c2ccccc2)C1 50266835 KZOXCBSLZCPWKY-AWEZNQCLSA-N 214.312 2.780 30 40 BFEB N#CCc1ccc(-c2ccc(F)cc2)nc1 67176017 YCHSVLJFTWXXCC-UHFFFAOYSA-N 212.227 2.954 30 40 BFEB in-vitro N#Cc1cnc(-c2ccccc2)nc1Cl 343493 BIHZWXOTSYNHPA-UHFFFAOYSA-N 215.643 2.669 30 40 BFEB Fc1cccc(F)c1/C=N/Nc1ccccn1 5658405 MREPABCFVPWLHL-LZYBPNLTSA-N 233.221 2.806 30 40 BFEB COc1ccc2cc(/C=N/O)c(Cl)nc2c1 13144502 HYFGDAUKBOBKEL-AWNIVKPZSA-N 236.658 2.705 30 40 BFEB CC(=O)/C=C\c1ccc(/C=C/C(C)=O)cc1 13402697 HMMREUHYFATSFZ-CIIODKQPSA-N 214.264 2.891 30 40 BFEB COc1ccc(COCCCC#N)cc1 19965651 WROFRRSYFNNNDX-UHFFFAOYSA-N 205.257 2.516 30 40 BFEB in-vitro Cc1ccc2cc(C(=O)N[C@H](C)CC#N)[nH]c2c1 69538317 QPAKGBZUJAGVKA-SNVBAGLBSA-N 241.294 2.508 30 40 BFEB N#CC1(COc2cccc(C=O)c2)CCC1 85390373 KKBVRKGTLSYKTB-UHFFFAOYSA-N 215.252 2.572 30 40 BFEB CC(C)(C)[C@@H]1CCCN1C(=O)c1cc(C#N)c[nH]1 195533956 GQFVTDQGEFTTJS-LBPRGKRZSA-N 245.326 2.537 30 40 BFEB COC(=O)CC[C@@H](C#N)c1cccc(Cl)c1 575436635 MDGRHEYEJDWBIF-JTQLQIEISA-N 237.686 2.900 30 40 BFEB Cc1c(C#N)cnc(Cl)c1Br 585146187 UZEYMDQHJPAHQT-UHFFFAOYSA-N 231.480 2.678 30 40 BFEB C[C@@H](F)COC(F)(F)[C@@H](F)C(F)(F)F 1083807005 NZLUZXMZNARKII-DMTCNVIQSA-N 228.107 2.854 30 40 BFEB O=C1c2ccccc2N[C@@H](c2ccccc2)N1O 63753 QWDWDTZTHADBDU-CYBMUJFWSA-N 240.262 2.642 30 40 BFEB N#Cc1cccc(C(=O)Nc2ccccc2F)c1 3608730 QNJCZADCSPCNTP-UHFFFAOYSA-N 240.237 2.950 30 40 BFEB C[C@H](C#N)Sc1nc2ccccc2[nH]1 13284272 OEHUTRQAHVVYSO-SSDOTTSWSA-N 203.270 2.567 30 40 BFEB N#Cc1ccc(/N=N/N2CCCC2)cc1 1651063 RDVZYERLISWMGZ-BUHFOSPRSA-N 200.245 2.653 30 40 BFEB CC[C@@](C#N)(C(=O)OC)/C(C)=C\C(C)C 8652373 XLCORFACLFITSK-UMAGTOLTSA-N 209.289 2.682 30 40 BFEB N#CCc1ccc(OCc2cccnc2)cc1 19509301 DLLACNZUXKDFFW-UHFFFAOYSA-N 224.263 2.727 30 40 BFEB in-vitro COc1ccccc1CNc1ncccc1C#N 19512712 AVAICGIJPWNQGS-UHFFFAOYSA-N 239.278 2.574 30 40 BFEB O=C(O)c1ccc(/C=N\Nc2ccccc2)cc1 31738383 HOISUZKVWWPRAA-GDNBJRDFSA-N 240.262 2.831 30 40 BFEB Cc1c(Br)cnc(Cl)c1C#N 31776931 SSJQYUOYZHRSAS-UHFFFAOYSA-N 231.480 2.678 30 40 BFEB N#Cc1cc(F)ccc1OC(F)(F)F 71867284 DIDAOKVLBIJKDX-UHFFFAOYSA-N 205.110 2.596 30 40 BFEB C=C(C)CN1CCCC[C@H]1Cn1cc(C)cn1 71878572 TXOGOARVJGFGRC-AWEZNQCLSA-N 233.359 2.622 30 40 BFEB C=CCOc1ccc2c(CC)cc(=O)oc2c1 78610476 ZFLFXXJUJYMPAZ-UHFFFAOYSA-N 230.263 2.920 30 40 BFEB C=CC[C@@H](O)c1cc(Cl)ccc1OC 95731577 ADXAYDYDYCHVQE-SNVBAGLBSA-N 212.676 2.958 30 40 BFEB N#Cc1cnc(NCCc2ccc[nH]2)c(Cl)c1 96492123 MXSUWWROLJUPHS-UHFFFAOYSA-N 246.701 2.589 30 40 BFEB CN(C)c1ccc(/C=N/c2cccnc2)cc1 101628029 HLYSNUITDFPICV-MHWRWJLKSA-N 225.295 2.898 30 40 BFEB N#CC1(C(=O)Nc2ccccc2Cl)CC1 156826487 SGRIYOZQPJKONP-UHFFFAOYSA-N 220.659 2.582 30 40 BFEB CC(=O)c1cc(C#N)ccc1Br 238128318 RJRMLZDLOGQOIP-UHFFFAOYSA-N 224.057 2.523 30 40 BFEB C=CC[C@H]1C(=O)CCCN1C(=O)OC(C)(C)C 1565504781 IFULSUGEXZQPFM-JTQLQIEISA-N 239.315 2.531 30 40 BFEB O/N=C(/c1ccccn1)C1CCCCC1 85397 MWPZTYVDZIZIPV-WYMLVPIESA-N 204.273 2.840 30 40 BFEB CCCCCCCCCCNC(=O)[C@H](C)O 1712704 NUXGELRNTBNWTF-LBPRGKRZSA-N 229.364 2.624 30 40 BFEB O=C(/C=C\c1ccccn1)c1ccccc1 12494864 GYPWVWMVBAKTHW-KTKRTIGZSA-N 209.248 2.978 30 40 BFEB C=CCCC(=O)N[C@H](C)Cc1cccs1 49489326 IDUDKASIGJNKEX-SNVBAGLBSA-N 223.341 2.762 30 40 BFEB CC[C@H](C)/N=C(/N)NCC(C)(C)c1ccccc1 58184920 ZVMLFLSQBZIHQV-LBPRGKRZSA-N 247.386 2.667 30 40 BFEB C=C(C)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1 88462685 JSCMOBOGFWDBFV-UHFFFAOYSA-N 241.331 2.517 30 40 BFEB in-vitro COc1ccc(C#CC2(O)CCCCC2)cc1F 95632197 KYHWKBCQWPDYMY-UHFFFAOYSA-N 248.297 2.881 30 40 BFEB CC[C@@](C)(O)C#Cc1cc(F)c(F)c(F)c1 95632730 PHOYTNZBTDYLOS-GFCCVEGCSA-N 228.213 2.616 30 40 BFEB c1ccc2c(c1)CCCC/C2=N/OC[C@@H]1CO1 102961043 LTMIGQKLRCCGLK-VCHHOEMESA-N 231.295 2.533 30 40 BFEB O/N=C/c1cc(Cl)c(O)c(Cl)c1 299754763 OUQMWSWJOUQUSS-XCVCLJGOSA-N 206.028 2.507 30 40 BFEB N#Cc1ccc(C2(C(F)(F)F)N=N2)cc1 1565505435 MAWONWOMXRJQJP-UHFFFAOYSA-N 211.146 2.739 30 40 BFEB N#C[C@@H](C(=O)c1ccc(F)cc1)c1ccccn1 12531255 GUKMVKBMPBOAHG-GFCCVEGCSA-N 240.237 2.711 30 40 BFEB Cc1ccc([C@@H](C#N)C(=O)C(C)C)cc1 49812271 FMHIJLLRUXZPRD-GFCCVEGCSA-N 201.269 2.827 30 40 BFEB O=C(CS)Nc1ccc(Cl)c(Cl)c1 111813 OXXGBQLQQBKIJO-UHFFFAOYSA-N 236.123 2.862 30 40 BFEB CO/N=C/Cc1ccc2ccccc2c1[N+](=O)[O-] 5248306 XTMMXDRJZGIIMU-NTEUORMPSA-N 244.250 2.923 30 40 BFEB CNc1nccc(-c2ccc(F)cc2)c1C#N 19925843 YFKHOPSOEZNOKV-UHFFFAOYSA-N 227.242 2.801 30 40 BFEB CN(CCCC#N)Cc1ccccc1F 42224080 SVPCVWKBOJKTMO-UHFFFAOYSA-N 206.264 2.561 30 40 BFEB CC(C)(C)OC(=O)N1CCCC[C@H]1[C@]1(C)CO1 42331931 DZFWGPZAYORATG-GWCFXTLKSA-N 241.331 2.565 30 40 BFEB C=CCSCc1ccnc(N(C)C)c1 127540095 BELBZGCOBNCRNP-UHFFFAOYSA-N 208.330 2.567 30 40 BFEB N#Cc1ccc2[nH]cc(CCCC=O)c2c1 138485087 KAMHFQOKYXEWST-UHFFFAOYSA-N 212.252 2.561 30 40 BFEB Cc1ccc(Cn2c(C#N)cc(N)c2C)cc1 225856133 MGXJRGKBZTXKCW-UHFFFAOYSA-N 225.295 2.607 30 40 BFEB CNc1ccc(N2CCC(C)CC2)c(C#N)c1 226280092 ZDGHYOAUBDIZLA-UHFFFAOYSA-N 229.327 2.836 30 40 BFEB CCC[C@H](O)C(F)(F)C(F)(F)C(F)(F)F 1675542 OTTCSFSJPPWLBV-BYPYZUCNSA-N 242.134 2.980 30 40 BFEB C/C(CC(C)(C)C1CCCCC1)=N\N=C(N)N 4602864 NVHRCKPYKUQPDH-MHWRWJLKSA-N 238.379 2.632 30 40 BFEB COc1cc(OC)c2c(Cl)c(C#N)cnc2c1 19470459 RZOGZPVTDHUSRO-UHFFFAOYSA-N 248.669 2.777 30 40 BFEB CC(C)[C@@H](/N=C/c1ccc(Cl)cc1)C(=O)O 22062995 KRLMXLOGWRTQJP-LLUUXILJSA-N 239.702 2.868 30 40 BFEB Cc1ccc([C@H](C#N)N2CCC(C)CC2)o1 28291203 VCBAOVAMCAYNMQ-LBPRGKRZSA-N 218.300 2.885 30 40 BFEB CSc1ccc(-c2noc(N)c2C#N)cc1 84512465 KUPFBPPUTVQNQB-UHFFFAOYSA-N 231.280 2.517 30 40 BFEB N#Cc1cnn(C[C@H]2C[C@H]2c2ccccc2)c1 95093963 BVSIYCHIUJLXPR-KGLIPLIRSA-N 223.279 2.558 30 40 BFEB CCCCCCCC[Sn+3] 195766643 GYKSIQWGEZQNEA-UHFFFAOYSA-N 231.935 2.934 30 40 BFEB CCC[C@H]1CC(=O)C=C(C)[C@@H]1C(=O)OCC 4726746 KDIZYDOQEYHUCP-JQWIXIFHSA-N 224.300 2.501 30 40 BFEB CN(C)/C=N/C(=S)Nc1ccccc1Cl 17822442 QVWZKHJVVPBCMP-KPKJPENVSA-N 241.747 2.627 30 40 BFEB C=C1C(=O)O[C@H]2[C@@H]3O[C@@]3(C)CC/C=C(/C)CC[C@H]12 43162900 KTEXNACQROZXEV-NGYMXTTRSA-N 248.322 2.762 30 40 BFEB biogenic,in-vitro C[C@@H](C#N)CN(C)C(=O)c1ccc(Cl)cc1 48087183 FJEJPQVFSXOOLB-VIFPVBQESA-N 236.702 2.572 30 40 BFEB CCN(Cc1ccccc1)[C@@H]1CCC/C1=N/O 100977226 OKFQZDBHSKZRMH-JNINTMOKSA-N 232.327 2.891 30 40 BFEB C=CCN(C)C(=O)N[C@H]1CCc2ccc(F)cc21 195570641 DZIUMMBZBZEISL-ZDUSSCGKSA-N 248.301 2.640 30 40 BFEB C=CCn1c(Cc2ccco2)ccc1C(=O)OC 226031639 PSFIRCNWYJAEMG-UHFFFAOYSA-N 245.278 2.645 30 40 BFEB COc1ccc(/C=[N+](\[O-])c2ccccc2)cc1 1708044 GIBHBSRKHBYUKU-PTNGSMBKSA-N 227.263 2.956 30 40 BFEB C[C@@]1(/[N+]([O-])=C/c2ccc(F)cc2)CCCCC1=O 2257508 SDBISDMOUUMBKE-KWZJRMENSA-N 249.285 2.657 30 40 BFEB CCOC(=O)[C@@H](C#N)c1ccc(Cl)cc1 2530107 NZMYLLIHPJDUNT-JTQLQIEISA-N 223.659 2.510 30 40 BFEB C=CCN(CC=C)C(=O)[C@@H]1C[C@@H]1c1ccccc1 2749176 YJHWTZHJXZBDAX-HUUCEWRRSA-N 241.334 2.991 30 40 BFEB CC(C)C(=O)Nc1sc2c(c1C#N)CCC2 4069829 ZVPVDLBBIPWUFN-UHFFFAOYSA-N 234.324 2.703 30 40 BFEB CC(=O)/C=C(/C)Nc1ccc(N(C)C)cc1 4235475 XHOBRAGAQDUEJP-KTKRTIGZSA-N 218.300 2.657 30 40 BFEB COc1ccc(/N=C2/SCCCN2C)cc1 13111078 CJOCMVALZAKOOD-OUKQBFOZSA-N 236.340 2.751 30 40 BFEB C[C@@H]1C[C@@H](C)CN(c2ccc(C#N)cc2N)C1 35674212 DYVGLWZQBQRNRH-GHMZBOCLSA-N 229.327 2.623 30 40 BFEB N#Cc1c(Cl)cnc(Cl)c1Cl 43827489 VXPROKFFQFRCKP-UHFFFAOYSA-N 207.447 2.913 30 40 BFEB Cc1cc(C=O)c(C)n1-c1ccc(CC#N)cc1 51601635 DOUJVRDZLCTEKG-UHFFFAOYSA-N 238.290 2.973 30 40 BFEB OC(C(F)=C(F)F)(C(F)(F)F)C(F)(F)F 77989114 GPNSSQNOXHTBQP-UHFFFAOYSA-N 248.044 2.920 30 40 BFEB C=CCC[C@@H](NCC#N)c1ccccc1 95985480 WANYHZHPYVBEFZ-CYBMUJFWSA-N 200.285 2.807 30 40 BFEB CCOc1ccc(N(C)CCCC#N)cc1 96417465 OKKSYVAGCAIYBJ-UHFFFAOYSA-N 218.300 2.825 30 40 BFEB CC1CCN([C@H]2/C(=N\O)Cc3ccccc32)CC1 100964846 WSZPODVTGNWCPO-VZHUHSAUSA-N 244.338 2.846 30 40 BFEB COc1cccc(C(=O)c2cccc(C#N)c2)c1 2574652 JANXXVJXZIIACM-UHFFFAOYSA-N 237.258 2.798 30 40 BFEB C#Cc1cccc(NC(=O)c2ccco2)c1 41636782 VKGJGVJAOCYLKY-UHFFFAOYSA-N 211.220 2.513 30 40 BFEB N#Cc1cc(NC(=O)C2CCC2)ccc1Cl 44892149 ISVFPEHGZRBHRI-UHFFFAOYSA-N 234.686 2.950 30 40 BFEB N#Cc1ccc(OC2CCCC2)cc1O 72219811 VVXADMCQAJMTTM-UHFFFAOYSA-N 203.241 2.585 30 40 BFEB C[C@H]1CCCN(c2ccc(C#N)nc2)CC1 75105350 IMCYVCHPCWTWSW-NSHDSACASA-N 215.300 2.580 30 40 BFEB CCCCCCCCCCCCOB(O)O 170025124 GRSGENMFUVBJOR-UHFFFAOYSA-N 230.157 2.893 30 40 BFEB COc1ccc(NC(=O)C(C)(C)C)cc1C#N 225785238 DOAKRPIREFDYON-UHFFFAOYSA-N 232.283 2.551 30 40 BFEB C=CCOC(=O)[C@@H](O)[C@@H](CC)CCCCC 1687136 NVXIZKYCSXQIKE-RYUDHWBXSA-N 228.332 2.683 30 40 BFEB [O-]/[N+](=C\c1ccc(O)cc1)c1ccccc1 1786915 OVAJUMUKJOTHRY-UVTDQMKNSA-N 213.236 2.653 30 40 BFEB CCOC(=O)[C@@H](C#N)C(C)(C)Cc1ccccc1 2043248 LOWMDATZYUGOFX-CYBMUJFWSA-N 245.322 2.958 30 40 BFEB Cc1[nH]c(=O)c(C#N)c(C)c1-c1ccccc1 8618915 YJAGAPFQJDVQMF-UHFFFAOYSA-N 224.263 2.530 30 40 BFEB C[C@H]1CN(Cc2ccccc2)[C@@H](C)C/C1=N/O 12416447 VJXBICUWSHNVFV-FXPBBYGFSA-N 232.327 2.747 30 40 BFEB CN(CCC#N)Cc1ccc(Cl)s1 19834146 NVKPLBAMXNILPG-UHFFFAOYSA-N 214.721 2.747 30 40 BFEB C=CCOc1ccc(CNCC2CC2)cc1 20086202 BHMJSANWKYJROV-UHFFFAOYSA-N 217.312 2.751 30 40 BFEB Cc1sc(NC(=O)C2CCC2)c(C#N)c1C 36398412 YUXIBBMELQDLTB-UHFFFAOYSA-N 234.324 2.975 30 40 BFEB N#CCN1CCC(c2c[nH]c3ccccc23)CC1 59357956 VTURDHXSBNJEOD-UHFFFAOYSA-N 239.322 2.871 30 40 BFEB C=C[C@@H](N)c1ccccc1Br 83946523 VKSFFOVXSJVUBT-SECBINFHSA-N 212.090 2.635 30 40 BFEB Cc1nc(S)c(C#N)c2c1CC[C@@H](C)C2 95117580 CHXFSOCZJLOTGB-SSDOTTSWSA-N 218.325 2.675 30 40 BFEB Cc1c(Cl)cccc1C#CC(C)(C)O 95631559 UCKVHEMTBMFKJO-UHFFFAOYSA-N 208.688 2.771 30 40 BFEB C[C@@H]1Cc2cc(CC#N)cc(Cl)c2O1 95863140 GPBXNQLLQPHTKD-SSDOTTSWSA-N 207.660 2.729 30 40 BFEB in-vitro C=CCCc1csc(NC2CCOCC2)n1 96485561 MKMIFISMZPTOCA-UHFFFAOYSA-N 238.356 2.853 30 40 BFEB CC(C)(C)Oc1c([N+](=O)[O-])ccc(F)c1C#N 97447145 XEKTYLUSALDLIF-UHFFFAOYSA-N 238.218 2.783 30 40 BFEB C/C(=N\O)c1ncc(C(F)(F)F)cc1Cl 17917734 NRFOSQQLTISSHD-LNKIKWGQSA-N 238.596 2.952 30 40 BFEB C[C@H](C#N)CNCC[C@@H](C)c1ccccc1 54181876 TWQGHZWRPWTFBH-CHWSQXEVSA-N 216.328 2.929 30 40 BFEB Cc1cc(OCc2ccccc2)ncc1C#N 72223416 VURXCMDTXZUWAO-UHFFFAOYSA-N 224.263 2.841 30 40 BFEB C=C(C)CNc1ccccc1N1CCC(O)CC1 95364897 KUAJGXDOFAQUEP-UHFFFAOYSA-N 246.354 2.636 30 40 BFEB Cc1ccc(C#CC2(O)CCCC2)cc1F 95633712 DQCFODIPRWGNTD-UHFFFAOYSA-N 218.271 2.791 30 40 BFEB Cc1cncc(/C=C/c2ccc(C#N)s2)n1 195313817 UDRUDGZWQBCUDH-NSCUHMNNSA-N 227.292 2.889 30 40 BFEB CCOC(=O)[C@@]1(C)O[C@H]1c1ccc(Cl)cc1 586472 NCAJAILXFIVPSI-JQWIXIFHSA-N 240.686 2.733 30 40 BFEB C#CC[N+](CC)(CC)Cc1ccccc1 5008230 QIPKEUMNUCXPHY-UHFFFAOYSA-N 202.321 2.676 30 40 BFEB N#Cc1cccc(S[C@H]2CCCC[C@@H]2O)c1 93904388 YCSDBGTWRUKYCL-STQMWFEESA-N 233.336 2.954 30 40 BFEB Cc1ccc(C#CC[C@@H](C)O)cc1Cl 95631652 YCFDKDSHKWGIIG-SNVBAGLBSA-N 208.688 2.771 30 40 BFEB CC(C)(C)c1ccc2occ(C#N)c(=O)c2c1 95863228 KWHSNQKLBYEAIV-UHFFFAOYSA-N 227.263 2.962 30 40 BFEB SCc1nc(C2CC2)n2ccccc12 225746151 HIGBZWDZYYNCQQ-UHFFFAOYSA-N 204.298 2.642 30 40 BFEB N#Cc1cc(F)cc2c(Br)c[nH]c12 238614957 PBRPOTNHLCWGIW-UHFFFAOYSA-N 239.047 2.941 30 40 BFEB N#C/C(=N\O)c1ccc(Cl)cc1Cl 115172 XDFJFHBOTSEFLD-XYOKQWHBSA-N 215.039 2.695 30 40 BFEB CCOC(=O)c1cc2cc(CC#N)ccc2o1 494519 XEQYWHNMYTXFJQ-UHFFFAOYSA-N 229.235 2.676 30 40 BFEB Cc1c(C(=O)O[C@H](C)C#N)oc2c(F)cccc12 8545420 OYAMTUFESGEJBG-SSDOTTSWSA-N 247.225 2.949 30 40 BFEB N#Cc1ccc(CNC2CCCCC2)cc1 19879038 HXPZDGNMDTYPAM-UHFFFAOYSA-N 214.312 2.981 30 40 BFEB CCCCN1C(=O)/C(=N\O)c2ccc(C)c(C)c21 46084774 QQYARZDOPOCEQK-QINSGFPZSA-N 246.310 2.628 30 40 BFEB CCc1nc(Cl)c(C#N)c2c1CCC2 95098098 XBVPSDNAFHLZGB-UHFFFAOYSA-N 206.676 2.658 30 40 BFEB COc1c(Br)ccc(Cl)c1C#N 169799916 PLIUOFWZWOWXKC-UHFFFAOYSA-N 246.491 2.983 30 40 BFEB N#Cc1ccc2c(C(F)(F)F)cc(=O)oc2c1 199561528 OEVZPVOUMWQKEB-UHFFFAOYSA-N 239.152 2.683 30 40 BFEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)C 620314148 UCLRMAFUVTUJCF-PHIMTYICSA-N 207.317 2.742 30 40 BFEB C=C(Cl)Cc1ccc(OC)c(OC)c1 34144239 FFYXZWOVQJKIGQ-UHFFFAOYSA-N 212.676 2.999 30 40 BFEB C=C(C)CNc1cc(OC)c(OC)cc1F 70038408 HABNKBWNCYDPLV-UHFFFAOYSA-N 225.263 2.831 30 40 BFEB N#Cc1ccccc1-n1cnc(Br)c1 72193515 VCAIVEGZJVKPKE-UHFFFAOYSA-N 248.083 2.506 30 40 BFEB CC[C@](C)(O)C#Cc1ccc(Cl)cc1 95631807 VAGVXHSDZMJFPZ-LBPRGKRZSA-N 208.688 2.853 30 40 BFEB Nc1ccccc1/N=C\c1ccccc1O 104253577 ILNFSHVHMVYGNF-DHDCSXOGSA-N 212.252 2.725 30 40 BFEB CC(C)(C)OC(O)=Nc1cc(F)ncc1F 328578724 UGTQTKFWGWDWMI-UHFFFAOYSA-N 230.214 2.720 30 40 BFEB CC(F)(F)c1ccccc1NC(=O)CC#N 334974207 VGUQFJKVSOQHOT-UHFFFAOYSA-N 224.210 2.650 30 40 BFEB C=C1CCCN(c2nc3cnccc3s2)C1 618255723 IPXGOQPNVDLGBW-UHFFFAOYSA-N 231.324 2.848 30 40 BFEB CC(C)(C)c1nn[nH]c1/C=N/Cc1ccccc1 5293052 LQFKVTGKGAGHPH-XNTDXEJSSA-N 242.326 2.721 30 40 BFEB CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO 31159938 CDVMOSRXPDTXBF-CORIIIEPSA-N 236.355 2.957 30 40 BFEB biogenic,in-vitro CN(CC#N)Cc1cc(Cl)cc(Cl)c1 52070746 TYXICBWXHXQSKW-UHFFFAOYSA-N 229.110 2.949 30 40 BFEB C=CCNC(=O)c1ccc(Oc2ccccc2)o1 72260083 GHMNHIJYAPADDF-UHFFFAOYSA-N 243.262 2.988 30 40 BFEB Cc1c(Cl)cccc1C#CCCCO 95631599 ONOODHVMDOOINM-UHFFFAOYSA-N 208.688 2.772 30 40 BFEB C=CCN(CC=C)C(=O)[C@H](C)c1ccccc1 96319181 IOFUBYRUMJCNPL-CYBMUJFWSA-N 229.323 2.991 30 40 BFEB COc1ccc([C@@H]2C[C@@H]2/C(C)=N/O)cc1 100342822 ZGVGXXXPBAOTHH-DQSXNGOJSA-N 205.257 2.649 30 40 BFEB O/C(C[C@H]1C=CCCC1)=N/Cc1ncccc1O 329913952 CDQXABCSYSTFFY-NSHDSACASA-N 246.310 2.990 30 40 BFEB N#CCC(=O)c1ccc(N2CCCCC2)cc1 32911369 TZXKQUBDWIBMLU-UHFFFAOYSA-N 228.295 2.773 30 40 BFEB C=CCCC(=O)Nc1ccc(OC)cc1 35092379 BXDDAPSJSKKDMK-UHFFFAOYSA-N 205.257 2.600 30 40 BFEB N#CCCCN1CCC[C@H]2CCCC[C@H]21 35174421 HWNDORSIEYMORI-CHWSQXEVSA-N 206.333 2.945 30 40 BFEB N#CC1(COCc2ccccc2)CCC1 85390327 FFLBGAKNJNLTQG-UHFFFAOYSA-N 201.269 2.897 30 40 BFEB [N-]=[N+]=Nc1ccc(NC(=O)CCl)cc1 163121332 BPTJASCIWLSXEZ-UHFFFAOYSA-N 210.624 2.806 30 40 BFEB N#Cc1c(Cl)ccc(Br)c1O 169799914 IWCMKFHGVYQRHZ-UHFFFAOYSA-N 232.464 2.680 30 40 BFEB N#CC1(c2ccccc2[N+](=O)[O-])CCC1 169836175 CZVZIVNUQHOENV-UHFFFAOYSA-N 202.213 2.540 30 40 BFEB CCCCCCCNCc1c(C)cnn1C 256051695 KELBMQNIMDLYTP-UHFFFAOYSA-N 223.364 2.789 30 40 BFEB O=C(O)CCC/C(=N\O)c1c[nH]c2ccccc12 6536155 NRFBPSATUVFBLH-NTCAYCPXSA-N 246.266 2.601 30 40 BFEB N#Cc1ccnc(OC2CCCCC2)c1 19487797 AGFMTASTDRSQEM-UHFFFAOYSA-N 202.257 2.665 30 40 BFEB N#Cc1cccc(/C=C/C(=O)NC2CCCC2)c1 32656405 AHJNNXYVSPYSMI-CMDGGOBGSA-N 240.306 2.630 30 40 BFEB CCCCCCCCCC[S@](=O)CCO 33354306 FRMANNAMIQYSEN-OAHLLOKOSA-N 234.405 2.868 30 40 BFEB N#Cc1ccnc2c(Br)cccc12 40571757 UCDBLYHPJMMFMY-UHFFFAOYSA-N 233.068 2.869 30 40 BFEB CN(CC#N)Cc1ccc(Cl)c(Cl)c1 44296940 YPBCLJXVGYMBNF-UHFFFAOYSA-N 229.110 2.949 30 40 BFEB CC[C@@H](C)NC(=O)c1ccccc1SCC#N 50080574 LJKKNRNPVCYDDQ-SNVBAGLBSA-N 248.351 2.831 30 40 BFEB Cc1cc(C#N)cnc1NCc1ccccc1 72222323 MKIFQRRQKJGWAR-UHFFFAOYSA-N 223.279 2.874 30 40 BFEB N#Cc1sc(Cl)nc1C(F)(F)F 95630440 MDBWOBDXTCDRIL-UHFFFAOYSA-N 212.583 2.687 30 40 BFEB CC(C)(C)OC(=O)N1CC[C@H](C#N)CC1(C)C 260258712 WGHJILRUKIFCNA-JTQLQIEISA-N 238.331 2.936 30 40 BFEB C=C1CCCN(c2nccc(C(F)(F)F)n2)C1 618254186 NATJFODIXMRWJW-UHFFFAOYSA-N 243.232 2.652 30 40 BFEB Cc1oc(-n2c(C)ccc2C)c(C#N)c1[C@H](C)O 4207214 HGCIDHMLGPVGLU-JTQLQIEISA-N 244.294 2.921 30 40 BFEB C[C@H](O)C#Cc1ccc(Cl)c(Cl)c1 22203308 GSGNQJWHQDHBFE-ZETCQYMHSA-N 215.079 2.726 30 40 BFEB CN(C)c1ccccc1CN(CCC#N)C1CC1 72581050 JKEOVPYNAVMTAE-UHFFFAOYSA-N 243.354 2.631 30 40 BFEB CCCC#Cc1ccc(OC)c(OC)c1 95631942 VSZGHVRPVRLGSK-UHFFFAOYSA-N 204.269 2.855 30 40 BFEB N#Cc1cc2ccccc2nc1OCC(F)F 122576072 ILJIPYSOPPCPPP-UHFFFAOYSA-N 234.205 2.750 30 40 BFEB CC1(C)C[C@H](Nc2ccccc2)[C@@H](C#N)C1=O 5607502 JEQBRSULBAZRLJ-NEPJUHHUSA-N 228.295 2.606 30 40 BFEB O=C(/C=C/c1cccnc1)c1cccc(O)c1 7621446 QSMSQDPZHFLUOL-VOTSOKGWSA-N 225.247 2.683 30 40 BFEB CCCN(CCC#N)C(=O)c1ccc(C)cc1 19691472 FENBRNFZSJZNTG-UHFFFAOYSA-N 230.311 2.761 30 40 BFEB Cc1noc(C)c1CNc1ccc(C#N)cc1 20253050 UIKALOZZDLFEHH-UHFFFAOYSA-N 227.267 2.775 30 40 BFEB N#Cc1ccc(-n2cc3ccccc3n2)cc1 36405305 IKEVCMFOHUUSAP-UHFFFAOYSA-N 219.247 2.897 30 40 BFEB C=C(C)CNc1cc(C(=O)N(C)C)ccc1C 69842832 GLSGTRHTAZZENB-UHFFFAOYSA-N 232.327 2.685 30 40 BFEB N#CCC(=O)c1cccn1-c1ccccc1 85396820 JOEKVBBYKWFVKU-UHFFFAOYSA-N 210.236 2.574 30 40 BFEB CCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1Cl 85657667 JMUOTVUSPPPEHO-CMPLNLGQSA-N 240.686 2.517 30 40 BFEB CCc1ccc(C#C[C@H](O)C(C)C)cc1 95632191 MBSKZHKFSZYIMG-AWEZNQCLSA-N 202.297 2.617 30 40 BFEB Cc1cc(C)c(C#CCN(C)C)cc1C 95633879 GFQCNYAERUAIHI-UHFFFAOYSA-N 201.313 2.525 30 40 BFEB C[C@H]1CCCC[C@@]1(C#N)NC(=O)OC(C)(C)C 96102461 FAPCMGQEOQZPCR-GWCFXTLKSA-N 238.331 2.984 30 40 BFEB N#Cc1ccc(Oc2ncc(Cl)cn2)c(F)c1 195542172 KVXWRPWKKDFKDJ-UHFFFAOYSA-N 249.632 2.933 30 40 BFEB CC(C)CN1C(=O)[C@@H](CC#N)c2ccccc21 218748228 LKHFOYOPNNCNEH-LBPRGKRZSA-N 228.295 2.686 30 40 BFEB CCCc1c(N)cc(C#N)n1[C@@H](C)CC 225852494 ZAPHJWUPZSZSBY-VIFPVBQESA-N 205.305 2.865 30 40 BFEB Cc1ccc2cc(C(=O)CC#N)ccc2n1 1857794178 JESCNMDERDMVKB-UHFFFAOYSA-N 210.236 2.640 30 40 BFEB C=C1C(=O)OC(C)(C)[C@H]1c1ccccc1 2031912 SYKAFLOVDXCZNR-LLVKDONJSA-N 202.253 2.662 30 40 BFEB O=C(/C=C/c1ccccn1)c1ccccc1 4352957 GYPWVWMVBAKTHW-MDZDMXLPSA-N 209.248 2.978 30 40 BFEB C#Cc1cccc(NC(=O)c2ccccc2O)c1 19836721 QZHAFXQOZVJIOM-UHFFFAOYSA-N 237.258 2.626 30 40 BFEB N#Cc1c(S)nc(-c2ccco2)c2c1CCC2 95117594 ZQFUCDTWPOZPCS-UHFFFAOYSA-N 242.303 2.991 30 40 BFEB Cc1nc(C)c(C#N)c(SCCCCC#N)n1 95988630 KCKSLKHNUTYRKH-UHFFFAOYSA-N 246.339 2.751 30 40 BFEB N#Cc1ccccc1/N=C/c1cccc(O)c1O 100814917 FJNOAQJHCUUDTF-CXUHLZMHSA-N 238.246 2.720 30 40 BFEB CC[C@H](CC#N)OC(=O)c1cccs1 188119504 ZKHDJARWOSHPIO-MRVPVSSYSA-N 209.270 2.597 30 40 BFEB O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)NO 226290620 RHRSOCPOSSXIQZ-SOFGYWHQSA-N 247.225 2.604 30 40 BFEB N#Cc1cn(C(=O)C(F)(F)F)c2ccccc12 226361379 SCFNXENIZHVANP-UHFFFAOYSA-N 238.168 2.715 30 40 BFEB Cc1cccnc1N=Cc1ccccc1C(=O)O 245239316 HQVXBERCHJCQAF-UHFFFAOYSA-N 240.262 2.839 30 40 BFEB N#Cc1nccnc1Sc1ccc(F)cc1 1383015 RDTOOLMOBDTWJS-UHFFFAOYSA-N 231.255 2.639 30 40 BFEB CC1(C)CC(=O)C=C(Nc2cccc(N)c2)C1 5190419 AWHGVBLKVBWMMM-UHFFFAOYSA-N 230.311 2.954 30 40 BFEB COc1ccc(C#Cc2ccc(C=O)cc2)cc1 34485501 NTZKYLWDRVUACN-UHFFFAOYSA-N 236.270 2.908 30 40 BFEB OCC#Cc1ccc(Oc2ccccc2)cc1 37543693 NBZRYYMVXOISGF-UHFFFAOYSA-N 224.259 2.823 30 40 BFEB in-vitro N#CCCCN1CCC[C@H]1Cc1ccccc1 55504921 RKIBMTDZOXMVPC-HNNXBMFYSA-N 228.339 2.997 30 40 BFEB N#Cc1cccc(OC(F)(F)Cl)c1 95215472 IAPXFUIYTWIJDF-UHFFFAOYSA-N 203.575 2.726 30 40 BFEB N#Cc1ccc(N2C[C@H]3CCC[C@H]3C2)cc1 129120970 AMVKEDQRQWRCNR-BETUJISGSA-N 212.296 2.795 30 40 BFEB C#CCOC(=O)C1c2ccccc2-c2ccccc21 216851664 FQQWTMATLHOVAS-UHFFFAOYSA-N 248.281 2.975 30 40 BFEB CC[C@H](C)NC(=S)Nc1ccc(CC#N)cc1 225271027 ZENPQEOUVNLANC-JTQLQIEISA-N 247.367 2.838 30 40 BFEB C/C=C/C(=O)c1ccc(Cl)cc1C(=O)OC 309515425 ULEPSCKLIQFJOA-ONEGZZNKSA-N 238.670 2.885 30 40 BFEB C=CCC(F)(F)c1nc2ccccc2[nH]c1=O 1911936415 HMCWKTABBJDYTO-UHFFFAOYSA-N 236.221 2.591 30 40 BFEB Cc1ccc(/C=N/Nc2ccc(Cl)nn2)cc1 4979516 GXIHSGKGCQTHSJ-RIYZIHGNSA-N 246.701 2.884 30 40 BFEB CCC[C@H](C#N)OC(=O)c1ccccc1 5560998 KLBPTYDKNMTJIP-LLVKDONJSA-N 203.241 2.536 30 40 BFEB C=CCNC(=S)Nc1cccc(OCC=C)c1 14569213 NANOEVUSLRUUKI-UHFFFAOYSA-N 248.351 2.724 30 40 BFEB Cc1csc(/N=C/c2ccc([N+](=O)[O-])o2)n1 16998912 OPWJYYKBJLEFLH-ONNFQVAWSA-N 237.240 2.703 30 40 BFEB N#CCCCCOc1ccc(C#N)cc1 42301181 ASDVDUGFJCFBFL-UHFFFAOYSA-N 200.241 2.631 30 40 BFEB COC(=O)C[C@H](C)SCc1cccc(C#N)c1 78815485 NSQFWISMPQYQAE-JTQLQIEISA-N 249.335 2.743 30 40 BFEB N#Cc1ccccc1S[C@@H]1CCCC[C@@H]1O 93904201 HURCHGRSZNJGFW-WCQYABFASA-N 233.336 2.954 30 40 BFEB [O-][N+]1=C(c2ccccc2)/C(=N\O)c2ccccc21 100365916 DQFLWACNRPUUOJ-SQFISAMPSA-N 238.246 2.510 30 40 BFEB C#CCOc1cc(Cl)c(C=O)cc1OCC 225277331 MSNCOHJRZXVDQL-UHFFFAOYSA-N 238.670 2.563 30 40 BFEB O/N=C(/Cc1ccccc1)C(F)(F)F 165415 UKDFYZOIGYLVCH-JYRVWZFOSA-N 203.163 2.622 30 40 BFEB C[C@H](C#N)Sc1ncnc2ccccc12 3440231 OVOWQTXXOGEBDO-MRVPVSSYSA-N 215.281 2.634 30 40 BFEB Cc1cc(=O)oc2cc(OCC#N)c(Cl)cc12 5546481 YRXXLWPNIQVBCK-UHFFFAOYSA-N 249.653 2.657 30 40 BFEB N#CCCCSc1nnc(NC2CC2)s1 8249443 QJDZFKFVHZLEOF-UHFFFAOYSA-N 240.357 2.508 30 40 BFEB C[C@@H]1CCCN(c2ccc(C#N)cc2)C1 19867441 YXAAHKGWBHYHLG-LLVKDONJSA-N 200.285 2.795 30 40 BFEB O=[N+]([O-])c1ccc2c(c1)-c1ccccc1/C2=N\O 22241171 LMHSTOFRBYSVEQ-BUHFOSPRSA-N 240.218 2.802 30 40 BFEB Cc1cccc(C(=O)/C=C/c2cnn(C)c2)c1 32888141 SWZUKGSWXZIAQZ-VOTSOKGWSA-N 226.279 2.625 30 40 BFEB C=CCN(CC=C)c1ccc(F)cc1N 42783218 ZPHANXAABRJXBP-UHFFFAOYSA-N 206.264 2.586 30 40 BFEB CCCc1c(C#N)cc(C(C)=O)n1CCC 78404497 OMDSZPKWBJTRDX-UHFFFAOYSA-N 218.300 2.925 30 40 BFEB CCCC[C@H](O)C#Cc1ccc(OCC)cc1 95632098 WTGXIIBLSOPNFF-AWEZNQCLSA-N 232.323 2.988 30 40 BFEB N#CCCC[S@@](=O)Cc1cccc(Cl)c1 97164031 YCEXGONQIHQJIU-HNNXBMFYSA-N 241.743 2.892 30 40 BFEB Cc1nc(C#CC(C)(C)O)c2ccccc2c1C 225747825 CRXNIGMVYURWQV-UHFFFAOYSA-N 239.318 2.974 30 40 BFEB C=CCN1C(=O)S/C(=C/c2ccoc2)C1=O 409106424 NIIODVXILACCNJ-RMKNXTFCSA-N 235.264 2.502 30 40 BFEB CC1=C(C)C(=O)C(Nc2ccc(C)cc2)=CC1=O 500215 DDMDWCWQIRKMPY-UHFFFAOYSA-N 241.290 2.779 30 40 BFEB C=CCOc1nnc(OCC=C)c2ccccc12 4503834 JBAWMZLPMCAIKC-UHFFFAOYSA-N 242.278 2.759 30 40 BFEB C=C(C)CNC(=S)Nc1ccc(S)cc1 16138599 PTBAIFCKUDGCJI-UHFFFAOYSA-N 238.381 2.838 30 40 BFEB Cc1cc(-c2cccs2)c(C#N)c(N)n1 19857665 MSPLZRVOSKXYMF-UHFFFAOYSA-N 215.281 2.572 30 40 BFEB CC(C)(C#N)c1ccc(NC(=O)C2CC2)cc1 25438135 CEUMZPYJHLCBIJ-UHFFFAOYSA-N 228.295 2.836 30 40 BFEB Cc1cc(C)c(NC(=O)C2(C#N)CC2)c(C)c1 44225610 LWJKQHRUAOJWMK-UHFFFAOYSA-N 228.295 2.854 30 40 BFEB N#Cc1cnc(C(F)(F)F)c(C(F)(F)F)c1 91252246 KRZNKRNKAVZCFK-UHFFFAOYSA-N 240.106 2.991 30 40 BFEB COc1cccc(F)c1[C@H](C)NCCCC#N 95985432 SVSNACLLQJYEIG-JTQLQIEISA-N 236.290 2.789 30 40 BFEB Cc1cc([N+](=O)[O-])c(CC#N)cc1Cl 199554770 LDNUPUGRGUPYEP-UHFFFAOYSA-N 210.620 2.623 30 40 BFEB Cc1ccc(/C=N/c2cccnc2N)cc1 481136 HMJBDTRTYHHRMW-CXUHLZMHSA-N 211.268 2.723 30 40 BFEB CC(C)=CCOC1=CC(=O)C(=O)c2ccccc21 1722079 STFDOHPWXGWOCO-UHFFFAOYSA-N 242.274 2.776 30 40 BFEB CC(C)(C)OC(=O)N[C@H](C#N)c1ccccc1 2154129 UWMFDFGRVUUNOU-LLVKDONJSA-N 232.283 2.776 30 40 BFEB CC(=O)/C=C/c1ccc(OC(F)F)cc1 4077705 FLUINOGRSGZGGH-NSCUHMNNSA-N 212.195 2.890 30 40 BFEB C/C(=N\Nc1nc2ccccc2[nH]1)C1CC1 5695949 BRBSYJAZOCFKFO-OVCLIPMQSA-N 214.272 2.761 30 40 BFEB COc1cccc(C(=O)/C=C/c2cccnc2)c1 7586942 JATBCOCREUORID-BQYQJAHWSA-N 239.274 2.986 30 40 BFEB N#CC1CCN(C(=O)c2ccccc2Cl)CC1 32104207 WRHXOEDWUMYAMR-UHFFFAOYSA-N 248.713 2.716 30 40 BFEB N#Cc1cnn(-c2ccc(F)cc2)c1Cl 66345483 IUNUTIQMCPFGST-UHFFFAOYSA-N 221.622 2.536 30 40 BFEB FC(F)OCC(F)(F)[C@@H](F)C(F)(F)F 79674268 DVXZKBNTNAKELW-UWTATZPHSA-N 232.070 2.761 30 40 BFEB Cc1c(CNc2ccccc2F)cc(C#N)n1C 95978113 CCDLKFLTOPPUCY-UHFFFAOYSA-N 243.285 2.956 30 40 BFEB C/C=C/C(=O)c1cc(F)c(F)c(F)c1 101475366 HGLKDTZXHGLNME-NSCUHMNNSA-N 200.159 2.863 30 40 BFEB O=C1C2=C(C(=O)C3=C1[C@@H]1CC[C@@H]3C1)[C@@H]1CC[C@@H]2C1 104186383 WDWXKSFSXJJWIR-ZYUZMQFOSA-N 240.302 2.591 30 40 BFEB N#C[C@H]1C[C@@]12CSc1ccccc1C2=O 1391213 VTKZMSZKRMWIER-PRHODGIISA-N 215.277 2.505 30 40 BFEB O=C(/C=C/Nc1ccc(O)cc1)c1ccco1 4675872 RBPIPQCGADRXQO-BQYQJAHWSA-N 229.235 2.794 30 40 BFEB CCCCCNc1ccc(C#N)cc1N 35674344 SEDKGMDWSWNVLV-UHFFFAOYSA-N 203.289 2.743 30 40 BFEB CC[C@@](C)(C#N)NC(=O)c1ccc(Cl)cc1 40357321 VFBNWYPWTZGNRN-LBPRGKRZSA-N 236.702 2.762 30 40 BFEB C[C@H]1CC[C@@H](NCc2cccc(C#N)c2)C1 70643410 LWYTYNNFJYRDTO-SMDDNHRTSA-N 214.312 2.836 30 40 BFEB COC(=O)c1cccc(OCC2(C#N)CCC2)c1 85390379 DENZTEDRTYSVBT-UHFFFAOYSA-N 245.278 2.546 30 40 BFEB C/C(C[C@H](O)c1ccc2ccccc2n1)=N/O 100547971 BRHKOJCUSVQRPC-GRRFOWRYSA-N 230.267 2.508 30 40 BFEB CC(C)(C)OC(=O)Nc1cc(C#N)ccc1O 228968314 BVHWRQVTEIQJAV-UHFFFAOYSA-N 234.255 2.611 30 40 BFEB COc1ccc([C@H](O)C#Cc2ccccc2)cc1 1410819 QSHXNMCFQNGRGO-MRXNPFEDSA-N 238.286 2.780 30 40 BFEB Cc1cccc[n+]1[C@H]1CCc2ccccc2C1=O 1598310 IIBNTXNCASOFSC-HNNXBMFYSA-N 238.310 2.653 30 40 BFEB O/N=C1/C[C@@H](c2ccccc2)Cc2ccncc21 4701639 IASQGCORANDLOA-PERWBAPNSA-N 238.290 2.990 30 40 BFEB Cc1cc(Cl)cc([C@H](S)C(=O)O)c1C#N 8626847 GKENIEODGMDHFJ-VIFPVBQESA-N 241.699 2.576 30 40 BFEB C=CCNc1nc(-c2ccc(O)cc2O)cs1 12583403 TVMUVYMSHYLDBX-UHFFFAOYSA-N 248.307 2.819 30 40 BFEB O[C@@H](C/N=C/c1ccc(F)cc1)c1ccccc1 36614630 RXHIRPCNVOSKPO-ADFUCPMPSA-N 243.281 2.978 30 40 BFEB N#Cc1ccc(OCc2cncs2)cc1F 39076817 LDRGNZHCMIAVGL-UHFFFAOYSA-N 234.255 2.733 30 40 BFEB C=C(C)CSCC(=O)Nc1ccccc1 41365901 KUSZMJGULUWRBH-UHFFFAOYSA-N 221.325 2.934 30 40 BFEB N#CC1(c2cncc(C(F)(F)F)c2)CC1 95094263 XGKRRIAYKMPDLX-UHFFFAOYSA-N 212.174 2.656 30 40 BFEB C#C[C@@H](OC(=O)c1cc(C(C)=O)cs1)C1CC1 97032389 YYIIKWHADIDLAP-LLVKDONJSA-N 248.303 2.519 30 40 BFEB CC(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 97101976 STMRXMGAEUCWCN-UHFFFAOYSA-N 246.354 2.717 30 40 BFEB COCc1ccc([C@@H]2CCCN2CCCC#N)o1 97161863 SLGWFGFSWZBXNQ-ZDUSSCGKSA-N 248.326 2.867 30 40 BFEB N#Cc1ccc(CN2C[C@H]3CCC[C@H]3C2)c(F)c1 148070656 YDFMOVPYANVALC-BETUJISGSA-N 244.313 2.929 30 40 BFEB C[N+]([O-])=C(c1ccccc1)c1ccccc1 1600250 LXPUDLOXVOGRMH-UHFFFAOYSA-N 211.264 2.664 30 40 BFEB CC(=O)CC(F)(F)C(F)(F)C(F)(F)F 2526238 HXAYZDVVQAKLDA-UHFFFAOYSA-N 226.091 2.798 30 40 BFEB NC(=S)NN=C1CCC2(CCCCC2)CC1 5413379 WHIANMPHWKUJCV-UHFFFAOYSA-N 239.388 2.700 30 40 BFEB C=CC/N=c1\cc(C)[nH]c2ccc(C)cc12 13042878 RAKVWSJJPKETFP-UHFFFAOYSA-N 212.296 2.871 30 40 BFEB Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc(O)cc1 65587135 MEIQBQKSWRDNRO-BQYQJAHWSA-N 242.278 2.628 30 40 BFEB O=C1C(=Cc2ccco2)C(=O)[C@@H]2CCCC[C@@H]12 102921284 IVEWSCQJZRUAHP-GHMZBOCLSA-N 230.263 2.621 30 40 BFEB C=C(Br)Cc1ccccc1O 199552763 JNTGBVPBKHXXBH-UHFFFAOYSA-N 213.074 2.843 30 40 BFEB C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC=C(C)CC[C@H]12 1081701744 XQVSREKNQZKAKU-MGPQQGTHSA-N 248.322 2.522 30 40 BFEB biogenic,in-vitro C=CCN(C(=O)[C@H]1C[C@@H]1C)c1ccccc1 71186267 SUHYTVGQTVCYTK-AAEUAGOBSA-N 215.296 2.862 30 40 BFEB C=CCOc1cc(Cl)c(OC)cc1[N+](=O)[O-] 81937821 MHMWUJICADEBHR-UHFFFAOYSA-N 243.646 2.822 30 40 BFEB CCO/C=C/C(=O)c1ccc(CC)cc1 82545904 IHFHHWWDRWNVKM-MDZDMXLPSA-N 204.269 2.982 30 40 BFEB COC(=O)c1cc(F)c(Cl)c(C#N)c1Cl 95629677 NRQCWSMITZPBHU-UHFFFAOYSA-N 248.040 2.791 30 40 BFEB CCc1c(C=O)cc(C#N)n1C1CCCC1 225303695 FIEGFLXOMGTUJH-UHFFFAOYSA-N 216.284 2.850 30 40 BFEB CCC/C=C(\C)[C@](C)(C#N)C(=O)OCC 1716492 AWYSUBWNOACNNC-OANVXVOSSA-N 209.289 2.826 30 40 BFEB COc1ccc([C@H](C#N)c2ccc(N)cc2)cc1 1855763 ZBOSPCBMOVMROW-OAHLLOKOSA-N 238.290 2.933 30 40 BFEB COc1cc(Cl)c(C)cc1NC(=O)CC#N 3263949 MIAAAQZKLKWUON-UHFFFAOYSA-N 238.674 2.509 30 40 BFEB CSc1cc(-c2ccccc2)oc(=O)c1C#N 6520195 FIGVJXMTQDHJMQ-UHFFFAOYSA-N 243.287 2.900 30 40 BFEB O/N=C1/c2ccccc2-c2ccc(O)cc21 16924813 UQUMVFGOCCTDTB-YPKPFQOOSA-N 211.220 2.599 30 40 BFEB C=CCn1c(=N)n(CCCC)c2ccccc21 20169367 XVRCJQYDAVNOKD-UHFFFAOYSA-N 229.327 2.908 30 40 BFEB Cc1csc(CNCc2cccc(C#N)c2)n1 30635963 KMVIDLFTFCQKIV-UHFFFAOYSA-N 243.335 2.613 30 40 BFEB N#Cc1ccc(-c2cccc(Cl)c2)[nH]c1=O 31817048 CEXONEQUNDRHAJ-UHFFFAOYSA-N 230.654 2.567 30 40 BFEB Cc1nc(NC(=O)OC(C)(C)C)ccc1C#N 39187164 YQXDVAWQTLDPFF-UHFFFAOYSA-N 233.271 2.609 30 40 BFEB N#Cc1cccc(C(=O)OC2(C3CC3)CC2)c1 83771019 IRSHCCCIWTUOQK-UHFFFAOYSA-N 227.263 2.658 30 40 BFEB C=CCOc1c(OC)cc(C=C)cc1OC 95437192 UUKSJIKZCUHBQK-UHFFFAOYSA-N 220.268 2.912 30 40 BFEB CCCn1cc(C#C[Si](C)(C)C)c(C)n1 203600089 HPKMAYYHTXMIHC-UHFFFAOYSA-N 220.392 2.830 30 40 BFEB CCCn1cnc2cc(C#N)c(Cl)cc21 225727895 OUCOQYYHOOHQPE-UHFFFAOYSA-N 219.675 2.971 30 40 BFEB N#CCCOCC#CC[C@@H]1C[C@H]2C=C[C@@H]1C2 5377143 OSKLPQFHBLIPHR-MGPQQGTHSA-N 215.296 2.522 30 40 BFEB CC[C@H](CC#N)n1ccc(C(F)(F)F)n1 12395773 SYQUIQNTSNOQLF-SSDOTTSWSA-N 217.194 2.767 30 40 BFEB C=CCNC(=O)N[C@@H](C)c1ccccc1C 12823157 BUZIUCWNBRQRMG-NSHDSACASA-N 218.300 2.541 30 40 BFEB CC(C)C/C(O)=N/S(=O)(=O)CCC(C)(C)C 79036957 SGKUJTVCOYZRFO-UHFFFAOYSA-N 249.376 2.755 30 40 BFEB [N-]=[N+]=Nc1c(F)c(F)c(C=O)c(F)c1F 96031248 FYZZJXVVOINZGG-UHFFFAOYSA-N 219.097 2.997 30 40 BFEB in-vitro CC(C)Nc1cc(N2CCCC2=O)ccc1C#N 199745892 SWLNUUNDPHEHBW-UHFFFAOYSA-N 243.310 2.505 30 40 BFEB CC[C@@H](C)Sc1nc(N)c(C#N)c(C2CC2)n1 225893773 UVBIYLQDFFGDIP-SSDOTTSWSA-N 248.355 2.698 30 40 BFEB N#Cc1ccc(OC2CCC(F)(F)CC2)nc1 585654798 MDSFRVZASXQYBJ-UHFFFAOYSA-N 238.237 2.910 30 40 BFEB C#Cc1cccc(NC(=O)[C@H]2CC=CCC2)c1 12894346 UUMTZQXMONGTQX-ZDUSSCGKSA-N 225.291 2.963 30 40 BFEB CCOc1cc(CC#N)ccc1OC(F)F 36379643 SJVDSXRKXPLEHW-UHFFFAOYSA-N 227.210 2.753 30 40 BFEB in-vitro Cc1cc(C#N)ccc1NC1CCC(O)CC1 37732580 CWHPAUPUTFBDKK-UHFFFAOYSA-N 230.311 2.582 30 40 BFEB in-vitro Cc1cnc(Cl)nc1-c1cccc(C#N)c1 85788881 PHNVWGXDVACXNH-UHFFFAOYSA-N 229.670 2.977 30 40 BFEB C=C1OC(=O)O[C@@]1(C)CCc1ccco1 1235115 ILMWWGHWJGRLHO-NSHDSACASA-N 208.213 2.651 30 40 BFEB O=C(O)c1ccc(/C=N/N2CCCCCC2)cc1 1730481 UHJOUUWLRXZOND-RVDMUPIBSA-N 246.310 2.595 30 40 BFEB C=C(C)CSc1nnc(NC2CC2)s1 12551879 NKPKGYDVHOAIOD-UHFFFAOYSA-N 227.358 2.781 30 40 BFEB CCCN(CCC#N)C(=O)NC1CCCCC1 19691488 LSNDQPIONCUSDY-UHFFFAOYSA-N 237.347 2.654 30 40 BFEB C[C@@H](NCc1cccc(C#N)c1)c1ccccn1 20123292 XVVXNXHTHCMLKK-GFCCVEGCSA-N 237.306 2.804 30 40 BFEB N#Cc1ccc(C(=O)c2ccc(C#N)cc2)cc1 21985088 UKOXPTLWNQHMJV-UHFFFAOYSA-N 232.242 2.661 30 40 BFEB in-vitro CN(Cc1ccsc1)c1ncccc1C#N 35123806 USLNMSMUPPHTFE-UHFFFAOYSA-N 229.308 2.651 30 40 BFEB CC[C@@H](NCC#N)c1ccc(OC(F)F)cc1 96492263 SGCXFNAYWMIDPQ-LLVKDONJSA-N 240.253 2.852 30 40 BFEB O=C(O)CCCCCCCC[C@@H]1CO1 104833792 LICWDODMDFJCCC-SNVBAGLBSA-N 200.278 2.591 30 40 BFEB C=C[C@@H](CC)OC(=O)c1ccc2nccnc2c1 195563184 HXYPBZYCLGQCRT-NSHDSACASA-N 242.278 2.751 30 40 BFEB CC(C)[C@@H](C#N)N1CCC[C@@H](C(F)(F)F)C1 225520862 FNGPWPLVMLHACB-NXEZZACHSA-N 234.265 2.809 30 40 BFEB COC1(OC)CC(C#N)(c2c(C)cccc2C)C1 685937225 NYTPVPRQRLSUIY-UHFFFAOYSA-N 245.322 2.848 30 40 BFEB C[C@]1(/[N+]([O-])=C/c2ccccc2F)CCCCC1=O 2272351 YXZNAPPRZBRYDY-FBKCMUNRSA-N 249.285 2.657 30 40 BFEB N#Cc1ccc(Oc2ccc(N)cc2)cc1C#N 5338099 VBCXQKMINMOFDB-UHFFFAOYSA-N 235.246 2.804 30 40 BFEB O/N=C1\[C@H]2CC[C@H](C2)[C@H]1N1CCc2ccccc21 5673223 DDKRBZOPNHMSEE-VNWDAMDASA-N 242.322 2.678 30 40 BFEB CCCC/C(C)=N/NC(=S)SC 5781932 BYFAQMCIAGQPEC-VQHVLOKHSA-N 204.364 2.790 30 40 BFEB C(#Cc1cccs1)CO[C@H]1CCCCO1 34521199 OIJCFMHSGWYGON-LBPRGKRZSA-N 222.309 2.643 30 40 BFEB N#Cc1cc(Br)ccc1OC(F)F 85396985 NRSLKAXETGPAST-UHFFFAOYSA-N 248.026 2.922 30 40 BFEB O=C[C@H]1C(=O)c2ccccc2[C@@H]1c1ccccc1 105637651 GOMJDSFBVGLJBG-CABCVRRESA-N 236.270 2.830 30 40 BFEB CC(C)=CC(=O)c1ccc2c(c1)OCCO2 169144352 DPQVXNVGKJOKFA-UHFFFAOYSA-N 218.252 2.607 30 40 BFEB CN(/C=N\C(C)(C)C)C[Si](C)(C)C 256446236 MFQDMLNXILAMOB-FLIBITNWSA-N 200.402 2.622 30 40 BFEB C=C(CC/C=C(/C)CO)[C@H]1CC=C(C)[C@H](O)C1 2332242428 PXCAMHCTNIGGNE-KGRKPJGKSA-N 236.355 2.979 30 40 BFEB N#C[C@H]1C[C@]12CSc1ccccc1C2=O 1391214 VTKZMSZKRMWIER-PELKAZGASA-N 215.277 2.505 30 40 BFEB N#Cc1cccc(-c2ccccc2C(=O)O)c1 2528941 GWQJJXUNSIGDAC-UHFFFAOYSA-N 223.231 2.923 30 40 BFEB O/N=C1/CCCCC[C@@H]1CN1CCCCC1 5375835 RHSWYEAHLNNPHP-HUTFPVNGSA-N 224.348 2.883 30 40 BFEB C[C@@H](N)[C@H](C#N)/N=N/c1ccccc1Cl 5532672 SDTSNYVMCFDKPY-LPUPQANFSA-N 222.679 2.663 30 40 BFEB N#Cc1ccc(OC(=O)c2cccs2)cc1 7658232 GUYZPPJEEMOMIM-UHFFFAOYSA-N 229.260 2.839 30 40 BFEB CCC[C@H](C#N)NC(=O)c1sccc1CC 69367924 KDMGKPJUQRDJNE-SNVBAGLBSA-N 236.340 2.733 30 40 BFEB N#C[C@H]1C[C@H]2C[C@H]1[C@@H]1N=NN(c3ccccc3)[C@@H]12 104368376 YUFTVWIQXATJBM-QLPDKGEUSA-N 238.294 2.791 30 40 BFEB CC(C)CO[C@@H](C)C(=O)Nc1cccc(C#N)c1 19847394 JTCCLXJJZUXICM-NSHDSACASA-N 246.310 2.558 30 40 BFEB C[C@H]1CCCN(c2ccc(C#N)cc2)C1 19867443 YXAAHKGWBHYHLG-NSHDSACASA-N 200.285 2.795 30 40 BFEB COc1ccc(C(=O)CCCCC#N)cc1 43212791 BMKMHMPWYIQLKG-UHFFFAOYSA-N 217.268 2.962 30 40 BFEB C=C1C(=O)O[C@@H]2[C@@H]3O[C@@]3(C)CC/C=C(\C)CC[C@H]12 44582882 KTEXNACQROZXEV-ZLLVIQJMSA-N 248.322 2.762 30 40 BFEB CCn1cc(C(=O)/C=C/c2ccsc2)cn1 65999888 BPMZDPBSDKCSJQ-ONEGZZNKSA-N 232.308 2.861 30 40 BFEB O=C(NO)c1ccc(-c2cccc(Cl)c2)o1 226290116 QVAUOCNUIROAOE-UHFFFAOYSA-N 237.642 2.719 30 40 BFEB C=CCCC(=O)c1cccc(F)c1C#N 308825731 RIJGNZSLHZEGSK-UHFFFAOYSA-N 203.216 2.846 30 40 BFEB ON=Cc1cccn1-c1ccc(Cl)cc1 408843662 GYWMKODYKQBNEI-UHFFFAOYSA-N 220.659 2.939 30 40 BFEB C/C=C/c1ccc(OC[C@H]2CO2)c(OC)c1 1717383 GRKBETVXAMQRSR-PGLGOXFNSA-N 220.268 2.506 30 40 BFEB in-vitro C=CCNC(=O)c1c(C)cc(C)cc1C 1808047 LTYHYYCUTLGPHR-UHFFFAOYSA-N 203.285 2.528 30 40 BFEB N=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)F 2557101 QNNUQHBPTQVSFD-UHFFFAOYSA-N 245.069 2.693 30 40 BFEB CC1(C)CC(=O)C2=C(C1)O[C@]1(O)CCC[C@H]2C1 4267344 TYKCPDBFHSJHCV-LKFCYVNXSA-N 236.311 2.539 30 40 BFEB C[C@H]1CCCCN1C(=O)c1ccc(C#N)cc1 9364391 RWLSKEJQKBDFRT-NSHDSACASA-N 228.295 2.573 30 40 BFEB C[C@H]1CCC[C@H](C)N1[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2 16608867 FJTNUHLQJBBRRC-DRLHUHSNSA-N 236.359 2.878 30 40 BFEB C[C@H]1CCCCN1c1ccc(C#N)cc1[N+](=O)[O-] 22124316 SVDVXYBPUPYGPS-JTQLQIEISA-N 245.282 2.845 30 40 BFEB c1cnc(NN=C2CCCCCC2)cn1 44654506 OHFULARZXQZKPE-UHFFFAOYSA-N 204.277 2.599 30 40 BFEB COc1ccc(COc2ccc(C#N)nc2)cc1 72233163 FCACZKVBHNYEOJ-UHFFFAOYSA-N 240.262 2.541 30 40 BFEB CC(C)CN1C(=O)CS/C1=N/c1ccccc1 96610720 ZGEZNCQOOBVVLG-BUHFOSPRSA-N 248.351 2.906 30 40 BFEB C=CCNC(=S)Nc1ccc(Cl)c(C)n1 223918368 QXAHUHVMIJHGGB-UHFFFAOYSA-N 241.747 2.516 30 40 BFEB CCc1nc2cc(Cl)c(C#N)cc2[nH]1 225728867 ZHWIAEGDSWOKMP-UHFFFAOYSA-N 205.648 2.650 30 40 BFEB CC(=O)Nc1ccc(N/C=C2/CCCC2=O)cc1 2355761 NTEFZFFRKDTSKS-LUAWRHEFSA-N 244.294 2.694 30 40 BFEB O=C1C2=C(C(=O)c3ccccc31)[C@H]1C=C[C@@H]2C1 6117073 UGTIHRDRMFXRLO-DTORHVGOSA-N 222.243 2.568 30 40 BFEB Cc1c(C#N)c(N)n(CCc2ccccc2)c1C 6658072 FXFPZSZEJOHEHP-UHFFFAOYSA-N 239.322 2.802 30 40 BFEB N#CC1(C#N)Cc2ccccc2N2CCCC[C@@H]21 9060846 LEPDRWOYLDUYHW-CQSZACIVSA-N 237.306 2.635 30 40 BFEB O=C(C=C(S)S)c1ccc(F)cc1 100041234 IYQKOVCOJUCXCM-UHFFFAOYSA-N 214.286 2.709 30 40 BFEB CC(C)[C@@](C)(C#N)NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 104895270 WEGZHHBJAQPHKN-PWNZVWSESA-N 248.370 2.867 30 40 BFEB COc1ccc(/C=C/c2ccncn2)cc1C#N 195547702 VZRDOWCVSLCQRJ-DUXPYHPUSA-N 237.262 2.527 30 40 BFEB Cc1cccc(C#N)c1/N=C1\CCCN1C 3151430 AQWLLFMZTAYQOA-NTCAYCPXSA-N 213.284 2.622 30 40 BFEB N#Cc1cccc(NC(=O)[C@@H]2CC=CCC2)c1 10278843 UAKWZKQFAKLLON-GFCCVEGCSA-N 226.279 2.853 30 40 BFEB CN(Cc1ccsc1)c1ccc(C#N)cn1 35126477 ZHCUGSQQYADZGM-UHFFFAOYSA-N 229.308 2.651 30 40 BFEB C[C@@H]1CCN(CCC#N)[C@H]2CCCC[C@@H]21 42185683 YUBPZRYARLEOFT-UPJWGTAASA-N 206.333 2.801 30 40 BFEB N#Cc1c(C(F)(F)F)cn2ccnc2c1Cl 43827502 LZNKCWCPVGMYFS-UHFFFAOYSA-N 245.591 2.878 30 40 BFEB Cc1nc(CSc2cc(C#N)ccn2)oc1C 63537291 QKIVAZZWNWSXOT-UHFFFAOYSA-N 245.307 2.850 30 40 BFEB C=C(C)CN(CC#N)Cc1ccccc1 69509866 VISQPLPAQLRKCK-UHFFFAOYSA-N 200.285 2.588 30 40 BFEB COc1ccccc1-n1cccc1C(=O)CC#N 85396834 WREGBPOYDDSGAO-UHFFFAOYSA-N 240.262 2.582 30 40 BFEB C=C[C@H](CC)OC(=O)c1cccc(C)n1 195550540 FLHYCAUVIOBMDT-SNVBAGLBSA-N 205.257 2.511 30 40 BFEB CCCCCCCNCc1cnn(C)c1C 229801221 SHEQOUBDZDUZNY-UHFFFAOYSA-N 223.364 2.789 30 40 BFEB O=C(C(=NO)c1ccccc1)c1ccccc1 254341277 OLBYFEGTUWWPTR-UHFFFAOYSA-N 225.247 2.748 30 40 BFEB CC1=C[C@](C#N)(c2cccc(Br)n2)C1 1776011115 LENHUTWQGFRMSB-NSHDSACASA-N 249.111 2.955 30 40 BFEB Cc1csc(C)[n+]1CC(=O)c1ccccc1 1668335 QLMZQYVUQRXSGV-UHFFFAOYSA-N 232.328 2.535 30 40 BFEB C=C(C)CCOS(=O)(=O)c1ccc(C)cc1 1769424 KKRCXGGGEPQALO-UHFFFAOYSA-N 240.324 2.667 30 40 BFEB O/N=C1\CCC[C@H]2CN(Cc3ccccc3)C[C@@H]12 95809626 YGUBLIFXKQYDAG-CZYXKEEPSA-N 244.338 2.749 30 40 BFEB in-vitro C=C1C[C@H](C)O[C@@H](C(C)(C)CN(C)C)C1 3152176 KMOSNQZZROCJCC-NWDGAFQWSA-N 211.349 2.698 30 40 BFEB biogenic C=C(C)CCC[C@H](C)CCOC(=O)C(C)=O 5762733 PTPFBQVLXZKNTP-NSHDSACASA-N 226.316 2.891 30 40 BFEB COc1cccc2c(Cl)c(C#N)cnc12 16697595 JSPIITUWOZXTTO-UHFFFAOYSA-N 218.643 2.768 30 40 BFEB in-vitro C=CCSc1nc2ccccc2c(=O)n1CC 26947450 LVHYBCKGVKQBSO-UHFFFAOYSA-N 246.335 2.695 30 40 BFEB N#Cc1ccccc1CSc1ncc[nH]1 79000800 VSDAWHJUTYSDAP-UHFFFAOYSA-N 215.281 2.574 30 40 BFEB C/C(=C\C(=O)N[C@@H](C)CC#N)c1cccc(F)c1 264686076 PUNGGURMFNHUHM-UQSGXBNBSA-N 246.285 2.647 30 40 BFEB O=C1CCC/C1=C/c1ccc([N+](=O)[O-])cc1 1685390 PFSPXVYIKPTEGN-NTMALXAHSA-N 217.224 2.731 30 40 BFEB c1csc(C/N=C2\CCCCCN2)c1 2659796 HFHXRTWJDLBYKJ-UHFFFAOYSA-N 208.330 2.810 30 40 BFEB C[C@H](C#N)OC(=O)c1cc2ccccc2o1 4332354 UAYHNQNBWLZGQX-MRVPVSSYSA-N 215.208 2.502 30 40 BFEB N#CCCSc1nc2ccccc2[nH]1 5729145 NRORSMQISKJKIB-UHFFFAOYSA-N 203.270 2.569 30 40 BFEB C=CCC[C@H](C)OC(=O)c1cccnc1 89311814 VMWJYACRJRRWIL-JTQLQIEISA-N 205.257 2.593 30 40 BFEB Cc1nc(Cl)c(Br)cc1C#N 95097588 SVKPAYRIFZJKLX-UHFFFAOYSA-N 231.480 2.678 30 40 BFEB Cc1ccc(C#C[C@@H](O)C(C)C)c(C)c1 95633540 JTVYOWDTKNHAIY-CQSZACIVSA-N 202.297 2.672 30 40 BFEB C#C[C@]1(O)CC[C@@H](c2ccccc2)CC1 100716499 FUFMQDPEADAKMD-HDJSIYSDSA-N 200.281 2.709 30 40 BFEB COc1ccc(C(=O)C=C(C)C)cc1OC 117873090 AMLUCUXKZRJUOC-UHFFFAOYSA-N 220.268 2.853 30 40 BFEB CC(C)OB(C#C[Si](C)(C)C)OC(C)C 169806737 SOBCQQSJDCHZOH-UHFFFAOYSA-N 226.201 2.745 30 40 BFEB CCCn1c(C#N)cc(N)c1N1CCC[C@@H](C)C1 225865643 DLKYPWLTVNOFGS-LLVKDONJSA-N 246.358 2.588 30 40 BFEB C=CCN(CC=C)C(=O)c1ccc(C)cc1 5543475 LJPOVYOMDBIYMX-UHFFFAOYSA-N 215.296 2.809 30 40 BFEB C=CC[C@](C#N)(C(=O)OCC)/C(C)=C\CC 16929461 YLNSVSVUJNMTES-BIRHUZIMSA-N 221.300 2.992 30 40 BFEB C=CCN(C)[C@@H](C)c1ccccc1OC 47886947 HIMKOFKWRVLYEQ-NSHDSACASA-N 205.301 2.874 30 40 BFEB COCCS[C@H](C)c1cccc(C#N)c1 189852994 LTOQXAWOKLWRQT-SNVBAGLBSA-N 221.325 2.999 30 40 BFEB C=C1C(=O)O[C@H]2[C@H]1CCC(C)=CCC[C@]1(C)O[C@H]21 517551 KTEXNACQROZXEV-XPCVCDNBSA-N 248.322 2.762 30 40 BFEB N#Cc1ccc(CNCc2ccc(F)cc2)cc1 812223 DLXXWXOFLPDGAD-UHFFFAOYSA-N 240.281 2.987 30 40 BFEB CCOc1ccc([C@@H](C#N)N(C)C)cc1OCC 31769125 YOWLINZASNDMHX-GFCCVEGCSA-N 248.326 2.610 30 40 BFEB COc1ncccc1NCc1ccc(C#N)cc1 37070510 LPKWIUPRIKYVIY-UHFFFAOYSA-N 239.278 2.574 30 40 BFEB N#Cc1ccc(Oc2cccc(C=O)c2)nc1 42816622 JLNQBAQMKDZXQY-UHFFFAOYSA-N 224.219 2.558 30 40 BFEB C=C(C)CSc1nnc(-c2ccncc2)o1 45951882 WLHQFCDSNAMKLO-UHFFFAOYSA-N 233.296 2.800 30 40 BFEB Cc1cccc(C2(C#N)CCC(=O)CC2)c1 75622877 RDCYDXANZMCSCF-UHFFFAOYSA-N 213.280 2.900 30 40 BFEB CC(=O)/C=C(\C)Nc1noc(-c2ccccc2)n1 104247452 BGZDEJIAGOIOOW-CMDGGOBGSA-N 243.266 2.641 30 40 BFEB C=CCCc1ccccc1C(=O)OCC 2245345 WKBWQTJZWDRTEP-UHFFFAOYSA-N 204.269 2.982 30 40 BFEB C=C1CCC[C@]2(C)CC[C@@H]([C@](C)(O)CO)C[C@@H]12 15208646 FUUSVPZQXDAJBK-LXTVHRRPSA-N 238.371 2.892 30 40 BFEB biogenic,in-vitro Cc1cccc(NC(=O)C(C)(C)C#N)c1C 40122737 IZFGBTURYHQCLT-UHFFFAOYSA-N 216.284 2.792 30 40 BFEB C#Cc1cccc(NC(=O)C[C@@H]2C=CCC2)c1 41636843 DCVSOXXISVVAJU-CYBMUJFWSA-N 225.291 2.963 30 40 BFEB CC(C)[C@@H]1CCCN(C(=O)C(C)(C)C#N)CC1 71029088 QHYSRRWAERRZHM-GFCCVEGCSA-N 236.359 2.821 30 40 BFEB N#Cc1cccnc1Oc1ccc2cn[nH]c2c1 95411564 AMVHATSATPUMQS-UHFFFAOYSA-N 236.234 2.622 30 40 BFEB C=CCCN1C[C@H](C)N(CCC=C)[C@H](C)C1 191145267 XFWWLZBXHOTEMK-OKILXGFUSA-N 222.376 2.533 30 40 BFEB CCCCCCCC[N+]1([O-])CC[N+](C)([O-])CC1 1586865 QIUMTCKPOWWWHI-UHFFFAOYSA-N 244.379 2.620 30 40 BFEB CC(C)(C)c1cc(N)n(-c2ccc(C#N)cc2)n1 4243161 ALJFYWSGNLOTKI-UHFFFAOYSA-N 240.310 2.624 30 40 BFEB CCCCOc1ccc(/C=N/O)cc1OC 11884464 RECLEGUQTFXNDS-UKTHLTGXSA-N 223.272 2.682 30 40 BFEB in-vitro C1=C[C@@H]2/C(=N\Nc3nc4ccccc4[nH]3)C[C@@H]2C1 12528707 SSDXASMVKDBABN-YEGAAXGJSA-N 238.294 2.927 30 40 BFEB C[C@@H](S)CCc1ccc2c(c1)OCO2 20476545 ZEELQHBCVNJAEJ-MRVPVSSYSA-N 210.298 2.666 30 40 BFEB N#C[C@]1(c2cccnc2)CCCCS1 38812379 ZQVNLVFPUYVJIO-NSHDSACASA-N 204.298 2.718 30 40 BFEB N#Cc1ccc(NC(=O)Nc2cccnc2)cc1 48438707 HDIKYBXYXZOBCQ-UHFFFAOYSA-N 238.250 2.597 30 40 BFEB C=CCCC(=O)N[C@@H](C)Cc1cccs1 49489323 IDUDKASIGJNKEX-JTQLQIEISA-N 223.341 2.762 30 40 BFEB CCOc1ccc(C#CCO[C@@H](C)OCC)cc1 95632065 KCBYTAVPLJNTHB-ZDUSSCGKSA-N 248.322 2.836 30 40 BFEB C[C@@H]1c2ccc(F)cc2CCN1CCC#N 98012643 DHBJVWYBLHVWGB-SNVBAGLBSA-N 218.275 2.658 30 40 BFEB CC(C)/N=C/c1cc(Br)ccc1O 101548009 NPNNRVDKWVPVJP-WUXMJOGZSA-N 242.116 2.982 30 40 BFEB N#CC[C@@H]1CCc2cc3c(c(N)c21)CCC3 2088617667 GBAMCNRPNOFDFV-VIFPVBQESA-N 212.296 2.701 30 40 BFEB Oc1ccc(/C=N/C2CCCCC2)cc1O 12341450 RJKRDUVENAOPLL-NTEUORMPSA-N 219.284 2.849 30 40 BFEB CSc1ccc(/C=N/C(=N)SN)cc1C 17752339 IETGXDBZDSAJMN-DNVKYALCSA-N 239.369 2.677 30 40 BFEB N#C[C@@H](c1ccco1)N1CCc2ccccc2C1 41280218 TWCKZNALWZQEPQ-AWEZNQCLSA-N 238.290 2.903 30 40 BFEB Cc1cc(C#CC2(O)CCCC2)ccc1F 95632364 HGCSFUBXSVSURH-UHFFFAOYSA-N 218.271 2.791 30 40 BFEB Cc1cnc(C(C)(C)NCCCCC#N)s1 97374446 KEZHZKGBAQQPFC-UHFFFAOYSA-N 237.372 2.970 30 40 BFEB COC1=C/C(=N\O)[C@]2(C)CC[C@@H]1C2(C)C 100363489 ACVXVSZJBOCMOY-AOJKYBMJSA-N 209.289 2.803 30 40 BFEB C#CCOc1c(C=O)cc(Cl)cc1OCC 225274570 VYORMGSIDFISQM-UHFFFAOYSA-N 238.670 2.563 30 40 BFEB N#Cc1ccc(N(O)C(=O)c2ccccc2)cc1 1570413 PMGIURDXCQSFOV-UHFFFAOYSA-N 238.246 2.594 30 40 BFEB Cc1nc(N/N=C/c2ccccn2)sc1C 4616679 GDYAVYJLJLYVII-NTUHNPAUSA-N 232.312 2.601 30 40 BFEB O/N=C/[C@H](c1ccccc1)N1CCCCC1 19204430 KCVGUNJBMPJYRV-MBFWDRTGSA-N 218.300 2.674 30 40 BFEB CN[C@H](C#N)c1ccc(Cl)c(Cl)c1 20378228 QTCGYGMHAOBASQ-SECBINFHSA-N 215.083 2.777 30 40 BFEB CCn1nccc1/C=C1\Cc2ccccc2C1=O 96118983 FXUJENYFOFMPKV-ZRDIBKRKSA-N 238.290 2.725 30 40 BFEB CCc1ccccc1C1(C#N)CC(OC)(OC)C1 96509071 WGUMEQBNXHJTSZ-UHFFFAOYSA-N 245.322 2.793 30 40 BFEB Cc1ccc(CN(CCC#N)CCC#N)cc1C 152827504 JSBTWNGIRFFNKK-UHFFFAOYSA-N 241.338 2.933 30 40 BFEB CCCCCCC[n+]1cccc(C#N)c1 1723781 ACUJLBUFNCQHHS-UHFFFAOYSA-N 203.309 2.816 30 40 BFEB CC(C)(O)C#Cc1cccc2ccccc12 2379212 AMYGGBXEZDIXRT-UHFFFAOYSA-N 210.276 2.962 30 40 BFEB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(C#N)cc2)C1 3287615 ZOXBSFNCRSTDQP-VXGBXAGGSA-N 242.322 2.676 30 40 BFEB C[C@@H](CN(C)C)C(=O)/C=C\c1ccc(F)cc1 17174669 DDVWHTGQDYPNQO-WDDYJBPVSA-N 235.302 2.606 30 40 BFEB CCN1C(=O)CS/C1=N/c1ccc(C)c(C)c1 96592069 SFHXRNGUNMKIBS-BUHFOSPRSA-N 248.351 2.886 30 40 BFEB CCCCCCCCS(=O)(=O)OF 100098829 HMNRWZUZCSOXOB-UHFFFAOYSA-N 212.286 2.578 30 40 BFEB CCOC(=O)[C@H](C#N)c1cccc(Cl)c1F 169267411 QZLFSUALGCUADX-MRVPVSSYSA-N 241.649 2.649 30 40 BFEB C#CCOc1cc2ccccc2cc1C(=O)O 7989247 IDFOBCXQOACLLF-UHFFFAOYSA-N 226.231 2.550 30 40 BFEB Cc1cc(OCc2ccccc2)ncc1/C=N/O 72223412 XNJNPMSOZUMDCW-CXUHLZMHSA-N 242.278 2.777 30 40 BFEB CCO[C@H](C)OCC#Cc1cc(F)ccc1C 95632392 ZYXOXMJCWNSSDL-LBPRGKRZSA-N 236.286 2.885 30 40 BFEB N#Cc1ncnc2ccc(C(F)(F)F)cc12 261357508 VIPQZQXOJNKGLW-UHFFFAOYSA-N 223.157 2.520 30 40 BFEB CC(=O)c1ccc(Oc2cncc(C#N)c2)cc1 685937262 FBZALGKHVFRRFH-UHFFFAOYSA-N 238.246 2.948 30 40 BFEB CN(C)c1ccc(/C=N/Nc2ccccn2)cc1 4421384 AODUIAGAJDMVAK-LFIBNONCSA-N 240.310 2.594 30 40 BFEB N#Cc1sc(=S)n(Cc2ccccc2)c1N 13547306 CADAGROCKYGZOW-UHFFFAOYSA-N 247.348 2.781 30 40 BFEB N#CCCCCOc1ccccc1C#N 42206140 JKOHUFHYHRTHIG-UHFFFAOYSA-N 200.241 2.631 30 40 BFEB CC[C@H](C)n1c(C#N)cc(N)c1N1CCCC1 225864553 SIFDSIIAEUTPMO-JTQLQIEISA-N 232.331 2.513 30 40 BFEB N#Cc1ccc(CC(=O)c2ccccc2)cc1 1680196 HSGUYVCQKRLJFD-UHFFFAOYSA-N 221.259 2.984 30 40 BFEB C=C(C)/C=C(\C)[C@@](C)(C#N)C(=O)OC(C)C 1716521 YTWQJICNKCWVEC-SVTZGKHISA-N 221.300 2.990 30 40 BFEB C=CCNC(=O)c1cccc(C(F)(F)F)c1 3134517 JQRHUFZYXODFNG-UHFFFAOYSA-N 229.201 2.621 30 40 BFEB N#CCC(=O)c1ccc(Br)c(F)c1 43577120 QZXYPMFFFFROPN-UHFFFAOYSA-N 242.047 2.685 30 40 BFEB C=CCOC(=O)c1ccc(-n2cccc2)cc1 57709147 HHJPFUQDGCOPQF-UHFFFAOYSA-N 227.263 2.820 30 40 BFEB CCC[C@@H](C#N)NC(=O)c1ccc2cc[nH]c2c1 69462616 FBGCTGYNRMUMSO-LBPRGKRZSA-N 241.294 2.590 30 40 BFEB CCCN(CCC)C(=O)c1ccc(C#N)c(C)n1 71185118 QWXLFNIGXFXBJX-UHFFFAOYSA-N 245.326 2.524 30 40 BFEB CC(C)c1ccc2c(c1)c(=O)ccn2CC#N 78400807 RKPJTMMOCWTZOF-UHFFFAOYSA-N 226.279 2.648 30 40 BFEB Cc1cc([N+](=O)[O-])cc(C#N)c1OC(C)C 225287455 VRYHQJXVZUVRRT-UHFFFAOYSA-N 220.228 2.562 30 40 BFEB Cc1cccc(/C=C/C(=O)[C@H](C)CN(C)C)c1 1611372 HWQBZSPRWAFEEK-MMQHEFTJSA-N 231.339 2.775 30 40 BFEB C#CCSc1nc(-c2cccc(Cl)c2)n[nH]1 2385461 PUPNVMOASALMSK-UHFFFAOYSA-N 249.726 2.850 30 40 BFEB Nc1cccc(C(=O)/C=C/c2ccccc2O)c1 5581552 OPHLVZKAACFNSN-CMDGGOBGSA-N 239.274 2.871 30 40 BFEB Cc1ccc(NC(=S)C#N)cc1Cl 6488178 MKYAHUOBFHQPIH-UHFFFAOYSA-N 210.689 2.911 30 40 BFEB C#Cc1cccc(NC(=O)N2CCC[C@@H](C)C2)c1 43986386 ISWRMPBSYQIUIC-GFCCVEGCSA-N 242.322 2.932 30 40 BFEB N#Cc1cccc(C(=O)c2ccc(Cl)nc2)c1 45038737 DFRYNSQYCJMMBI-UHFFFAOYSA-N 242.665 2.838 30 40 BFEB C[C@@H]1CN/C(=N\c2cnc3ccccc3c2)S1 55142317 VUIDEJQXUNKAIY-SECBINFHSA-N 243.335 2.947 30 40 BFEB CCCOc1c(C)cc([N+](=O)[O-])cc1C#N 225287537 DKBJKRQBVMEPEP-UHFFFAOYSA-N 220.228 2.564 30 40 BFEB Cn1cc(CSCCCC#N)c(C(F)F)n1 225629141 YAQBZMXQYLQXAD-UHFFFAOYSA-N 245.298 2.895 30 40 BFEB CN1[C@H]2CC[C@H]1/C(=C/c1ccc(F)cc1)C(=O)C2 252503358 VCAJVVSTQKSRRK-ZUTSKAEESA-N 245.297 2.645 30 40 BFEB O=C(O)c1ccccc1/C=N/N1CCCCCC1 1631179 DYZZVFLQWYKPIO-RVDMUPIBSA-N 246.310 2.595 30 40 BFEB COC1=C(F)C(F)(F)C(F)(F)C1(F)F 1995171 HCVGDVYOISIYKY-UHFFFAOYSA-N 224.075 2.733 30 40 BFEB in-vitro N#CCc1c(F)cc(Cl)c(F)c1F 2243334 AGMKMEIWIZJLOC-UHFFFAOYSA-N 205.566 2.823 30 40 BFEB COc1ccccc1/C=N/Nc1nc(C)cs1 3958954 WNQKRWGKFMAGDJ-NTUHNPAUSA-N 247.323 2.906 30 40 BFEB CCOC(=O)/C(C)=C\c1ccc(C#N)cc1 12359769 CWJLTCQFOZCRKM-NTMALXAHSA-N 215.252 2.525 30 40 BFEB O=C1/C(=N/Nc2ccccn2)C=Cc2ccccc21 13125143 BGEKLQCZIWJPKS-GHRIWEEISA-N 249.273 2.759 30 40 BFEB CC(C)[C@H](O)C#Cc1ccc(Cl)cc1 95631832 FGAKKOZPFIATLL-GFCCVEGCSA-N 208.688 2.708 30 40 BFEB CN[C@]12CCC[C@H](C1)C1=C(CC(C)(C)CC1=O)O2 4267913 KFZLQUOKCXPTIA-BMIGLBTASA-N 249.354 2.766 30 40 BFEB Cc1ccc(O)c([C@H]2C[C@@H](C#N)CCN2C)c1 5567061 YEGJVIHJYPGMMW-WCQYABFASA-N 230.311 2.607 30 40 BFEB C[C@@H]1CCC[C@@H](C)N1/N=C/c1ccncc1 5753727 SALUSPCEBAITJQ-SJIAUZAASA-N 217.316 2.678 30 40 BFEB COc1cccc(C2(C#N)CCC(=O)CC2)c1 32198589 PGWABZTWFQGEOI-UHFFFAOYSA-N 229.279 2.600 30 40 BFEB C/C=C/C=C/C(=O)Nc1ccc(C#N)c(C#N)c1 76019047 YYWWQSWBHHGKFL-MQQKCMAXSA-N 237.262 2.501 30 40 BFEB O=C(/C=C/c1ccccc1)[C@]12CCCC[C@@H]1O2 100019792 NGZQTNPQEMVTTL-LWLVDVGCSA-N 228.291 2.981 30 40 BFEB N#Cc1cn(-c2ccc(Br)cc2)cn1 217748057 QNADTSOUXOYBDM-UHFFFAOYSA-N 248.083 2.506 30 40 BFEB Cc1ccc(C(=O)O)cc1/N=C/c1cccn1C 409096364 JXZVWCVLNPOMDO-OQLLNIDSSA-N 242.278 2.782 30 40 BFEB O=[N+]([O-])c1ccc(/C=[N+](/[O-])c2ccccc2)cc1 2036460 UVECRWKWUJOHSR-GXDHUFHOSA-N 242.234 2.856 30 40 BFEB CCOc1ccc(-c2cc(CC#N)n[nH]2)cc1 72220386 KHLMTBMEKIRVDR-UHFFFAOYSA-N 227.267 2.541 30 40 BFEB C/N=C(/NCc1cc2ccccc2o1)NC(C)C 72283271 SBRGYCDPRKVCDR-UHFFFAOYSA-N 245.326 2.506 30 40 BFEB CCCCCCCC[C@H](C)NCCO 100298581 SFGIGHHJJKSNMF-LBPRGKRZSA-N 201.354 2.707 30 40 BFEB C#CC[C@H]1CN2CC[C@@H]1[C@@H](c1ccccc1)C2 223627313 GMHYBUWLMCQRPO-HRCADAONSA-N 225.335 2.745 30 40 BFEB CSc1nc(N)c(C#N)c(C2CCCCC2)n1 225894755 GJCDELYWTKUUGI-UHFFFAOYSA-N 248.355 2.700 30 40 BFEB C[C@H]1CCCC[C@H]1Oc1cncc(C#N)c1 242648349 QTMMYRLZPKKTIZ-GXFFZTMASA-N 216.284 2.911 30 40 BFEB C#CC(C)(C)OC(=O)c1ccc(Cl)cc1 52873 QNCXKLYWTUIZKS-UHFFFAOYSA-N 222.671 2.909 30 40 BFEB CC/C=C(\C)[C@](C#N)(CC)C(=O)OCC 1714001 WGRSGSSXYRCXSF-ZJNQMXKESA-N 209.289 2.826 30 40 BFEB C#CCN[C@@H](C)C12CC3CC(CC(C3)C1)C2 7538662 SGLAACNKRHNTTE-DYQPHDICSA-N 217.356 2.814 30 40 BFEB CN[C@H](/C(F)=N/Nc1ccccc1)C(F)(F)F 19830862 CWVJZRLWQQPHDJ-SEPNWTMDSA-N 249.211 2.532 30 40 BFEB C=CCNC(=O)c1ccc(-c2ccncc2)s1 32577686 JWWAFXVSSAERDC-UHFFFAOYSA-N 244.319 2.726 30 40 BFEB CSC(=CC(=O)c1cccnc1)SC 38674249 RERQKHGHVWXMAV-UHFFFAOYSA-N 225.338 2.832 30 40 BFEB in-vitro C=C(C)Cc1c(OC)cc(OC)cc1OC 43502583 YDWFJGLFQNNMCD-UHFFFAOYSA-N 222.284 2.831 30 40 BFEB CC(C)=C[C@@H]1[C@@H](C(=O)N(C)CCC#N)C1(C)C 58309414 IFOGRFAUJJLLKU-NEPJUHHUSA-N 234.343 2.597 30 40 BFEB CCCCC#C[C@@H](O)c1ccccc1[N+](=O)[O-] 71624490 CMDHBOLRYWPUCA-CYBMUJFWSA-N 233.267 2.822 30 40 BFEB CCO[C@@H](C)OCC#Cc1ccc(C)c(F)c1 95633691 MAGDIMMGTZCNKE-GFCCVEGCSA-N 236.286 2.885 30 40 BFEB COC(CCCC#C[Si](C)(C)C)OC 1857794036 ZFLRXFFJOIEBNG-UHFFFAOYSA-N 214.381 2.656 30 40 BFEB CCC[C@@H]1Cc2nc(Cl)c(C#N)cc2CO1 535389 KFVSRNXTWJGDHQ-SNVBAGLBSA-N 236.702 2.848 30 40 BFEB CC(C)(C#CC[C@@H]1C[C@@H]2C=C[C@H]1C2)OC[C@@H]1CO1 5379420 QXCQGMCSHFXREC-XGUBFFRZSA-N 246.350 2.786 30 40 BFEB CC(=N\O)/C(=N/O)N(c1ccccc1)C(C)(C)C 6561894 CBIQXHBYRNZKLV-DZKMRSEMSA-N 249.314 2.929 30 40 BFEB CCOC(=O)c1sc2ncc(C#N)cc2c1C 36379884 WAUIWMIMPBSLCS-UHFFFAOYSA-N 246.291 2.653 30 40 BFEB in-vitro CCCN(CCC)c1cc(C)c(/C=N/O)cn1 72223277 OVIQKMNKYMCIFG-XNTDXEJSSA-N 235.331 2.825 30 40 BFEB N#Cc1ccc(NCC2(O)CCC2)cc1Cl 74749141 UXLUYCOARCZVRL-UHFFFAOYSA-N 236.702 2.539 30 40 BFEB COc1ccc(OCC2(C#N)CCC2)cc1 85390353 NVOQXBWINGNNNB-UHFFFAOYSA-N 217.268 2.768 30 40 BFEB C=C(C)CS[C@H](C)C(=O)NC1CCCC1 89448758 ZCNROYGGZAMGET-SNVBAGLBSA-N 227.373 2.743 30 40 BFEB CC[C@](C)(O)C#Cc1cc(C)cc(F)c1 95632248 BKCYWIVJDUSOLF-ZDUSSCGKSA-N 206.260 2.647 30 40 BFEB Cc1ccccc1C(=O)OCC1(CC#N)CC1 96442796 YCIRJYFXNFSBPU-UHFFFAOYSA-N 229.279 2.846 30 40 BFEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C\[N+](C)(C)C 100366969 LHJOXNURTHMGAA-RHWCBERRSA-N 222.352 2.602 30 40 BFEB O=C1C=CC2=C3CC[C@H]4CCC[C@H]4N3CCC2=C1 103283836 AFZUMYMXNCDSQR-IAQYHMDHSA-N 241.334 2.974 30 40 BFEB in-man COc1ccc(C(C)=NNc2ccncc2)cc1 253476430 OVWHGQIHBSJRIE-UHFFFAOYSA-N 241.294 2.926 30 40 BFEB CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@@H]2C#N)C1 306604404 NYJHPPAGCNEVSD-MFKMUULPSA-N 236.315 2.547 30 40 BFEB CC(C)CNc1oc(-c2ccco2)nc1C#N 352182 BKIYHPLGWRYPBO-UHFFFAOYSA-N 231.255 2.874 30 40 BFEB N#Cc1cccc(/N=C2\C(=O)Nc3ccccc32)c1 12377193 IJVSKXDEYRTYGW-UHFFFAOYSA-N 247.257 2.631 30 40 BFEB c1ccc2c(c1)CCCC/C2=N\OC[C@@H]1CO1 17189153 LTMIGQKLRCCGLK-TZFAWSOVSA-N 231.295 2.533 30 40 BFEB Cc1cc(C)c(C#N)c(Nc2ccc(N)cc2)n1 27586332 UQPRKFXGADHAAR-UHFFFAOYSA-N 238.294 2.896 30 40 BFEB Cc1nn(-c2ccccc2)c(C)c1N[C@@H](C)C#N 40488676 VPQLOIDYRSNDJT-JTQLQIEISA-N 240.310 2.813 30 40 BFEB COC(=O)[C@@]1(C)O[C@]1(C)c1ccccc1Cl 85657730 AXURWAIICNXNSI-VXGBXAGGSA-N 240.686 2.517 30 40 BFEB N#Cc1cccc(S[C@@H]2CCCC[C@@H]2O)c1 93904387 YCSDBGTWRUKYCL-QWHCGFSZSA-N 233.336 2.954 30 40 BFEB COc1ccc(OC)c2c1[C@@H]1CC[C@H]2[C@@H]2O[C@@]12C 104288367 DGWBAYBQBBTILR-IOWHJBRQSA-N 246.306 2.836 30 40 BFEB N#CCSc1cccc2cccnc12 2703347 RHVOSYOWCZNYSE-UHFFFAOYSA-N 200.266 2.850 30 40 BFEB N#CCC(=O)c1cc2c(s1)CCCC2 19835273 ZGCZNMNJWCFVBP-UHFFFAOYSA-N 205.282 2.723 30 40 BFEB C=C(C)C1=C[C@@]2(C)C(=CC1=O)CC[C@@H](O)[C@@H]2C 33817464 MMDLQPKGJNEWIM-PSOPSSQASA-N 232.323 2.795 30 40 BFEB biogenic,in-vitro C=C1CC[C@H](O)[C@]2(C)CC[C@H]([C@H](O)C(C)C)[C@@H]12 86032254 OZBVMKPZPKMEGY-AHDPXTMNSA-N 238.371 2.747 30 40 BFEB biogenic,in-vitro C=CCOC1CCN(C(=O)OC(C)(C)C)CC1 96327298 WVZUBRRBXSQEPB-UHFFFAOYSA-N 241.331 2.589 30 40 BFEB C=CCN(CC=C)C(=O)c1ccc(OCC)cc1 29958 QLOSTPLNRCZUNZ-UHFFFAOYSA-N 245.322 2.900 30 40 BFEB COc1ccccc1/N=C/c1cccc(O)c1O 282588 HRFPXUIJDISUIP-OQLLNIDSSA-N 243.262 2.857 30 40 BFEB Cc1ccsc1/C=N/c1cccc(C(N)=O)c1 561335 FDUWDSQHDBQYFP-OVCLIPMQSA-N 244.319 2.906 30 40 BFEB O=C(C#Cc1ccccc1)c1ccccc1 1493476 YECVQOULKHBGEN-UHFFFAOYSA-N 206.244 2.921 30 40 BFEB in-vitro CCC[C@H]1CC(=O)C=C(C)[C@H]1C(=O)OCC 1687937 KDIZYDOQEYHUCP-CMPLNLGQSA-N 224.300 2.501 30 40 BFEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/O)o1 4544537 LAABNBXOMVHIJW-VGOFMYFVSA-N 245.234 2.761 30 40 BFEB C[C@H](C#N)Sc1ncnc2sccc12 6115494 VTANMDVKHMGWDB-ZCFIWIBFSA-N 221.310 2.695 30 40 BFEB COc1ccc(OC)c(N/C=C2/CCCC2=O)c1 100882027 UJYWGRQRCKNDBW-KTKRTIGZSA-N 247.294 2.753 30 40 BFEB N#C[C@H](C(=O)Nc1ccccc1)c1ccccc1 2551292 FGCWOPKPCQWFHJ-AWEZNQCLSA-N 236.274 2.932 30 40 BFEB COc1ccccc1/C=N/Nc1ccccn1 5330273 ZGQJHVJUJRXACN-XNTDXEJSSA-N 227.267 2.536 30 40 BFEB O=C(O)c1ccc(/C=C/C(=O)c2ccco2)cc1 10434971 GXYUZJPFGCNSRG-VMPITWQZSA-N 242.230 2.874 30 40 BFEB N#Cc1ccc(N2CCCCCC2)c(N)c1 35674173 DXNBHUGLLDMVTD-UHFFFAOYSA-N 215.300 2.521 30 40 BFEB Cc1ccc(CC#N)c(Br)c1 83593296 QVPPXJQQEUZIHP-UHFFFAOYSA-N 210.074 2.824 30 40 BFEB C=C(Br)CNC1CCCCC1 2765442 YFNVYDSHFJBZMS-UHFFFAOYSA-N 218.138 2.817 30 40 BFEB N#C[C@]1(c2ccccc2)O[C@@]1(C#N)c1ccccc1 18120735 ZPLPDZCXFNDANZ-IYBDPMFKSA-N 246.269 2.855 30 40 BFEB C=CCNCc1cc(Br)ccc1F 19875717 GVJOQRHTQSFLBX-UHFFFAOYSA-N 244.107 2.864 30 40 BFEB in-vitro CCc1ccsc1C(=O)N(C)[C@@H](C)CC#N 69809538 UVDCVIMYVJKXAU-VIFPVBQESA-N 236.340 2.685 30 40 BFEB Cc1ccc(C(=NO)C(F)(F)F)cc1 256081280 HWQOIGLJELXUJT-UHFFFAOYSA-N 203.163 2.736 30 40 BFEB CCn1cc(/C=C/C(=O)c2cccc(O)c2)cn1 8485029 CUVASAGRKDKLLD-VOTSOKGWSA-N 242.278 2.505 30 40 BFEB Cc1ccc(/C=N/c2ccccc2C(N)=O)cc1 12341458 UXBZQCDTBJTUDP-LICLKQGHSA-N 238.290 2.845 30 40 BFEB CC1=CC(=O)C=C/C1=N\c1ccc(N(C)C)cc1 13282692 IUCMTDKRLIEOCH-FOCLMDBBSA-N 240.306 2.910 30 40 BFEB CC(C)[C@H]1CCCN(C(=O)C(C)(C)C#N)CC1 71029089 QHYSRRWAERRZHM-LBPRGKRZSA-N 236.359 2.821 30 40 BFEB O/N=C/c1c[nH]c2cc(Br)ccc12 83302139 UBSGACBROBZHLR-LFYBBSHMSA-N 239.072 2.739 30 40 BFEB N#C/N=C/N1CC=C(c2ccc(Cl)cc2)CC1 100367755 WOBQCEMCOHJZTJ-MHWRWJLKSA-N 245.713 2.938 30 40 BFEB CCCCCCCCCC1OCC(O)CO1 104261134 VPQRMASJRGPHMH-UHFFFAOYSA-N 230.348 2.861 30 40 BFEB O=C(O)CCCCCCCC[C@H]1CO1 104833789 LICWDODMDFJCCC-JTQLQIEISA-N 200.278 2.591 30 40 BFEB COc1ccc(C(=O)c2ccccc2C#N)cc1 2242942 QAOUFVQLMFMIDR-UHFFFAOYSA-N 237.258 2.798 30 40 BFEB CCCCCCC[n+]1ccc2[nH]cnc2c1 2369331 GORKVHLFTMUCPR-UHFFFAOYSA-O 218.324 2.821 30 40 BFEB CC[C@H]1S/C(=N\c2ccc(C)cc2C)NC1=O 6870752 PFNKJIRQHOTSSO-LLVKDONJSA-N 248.351 2.933 30 40 BFEB C=C(Cl)CSc1nnc(NC2CC2)s1 9885358 DDDGCBZFKRZMNR-UHFFFAOYSA-N 247.776 2.957 30 40 BFEB CCCCCN1C(=O)/C(=N\O)c2cccc(C)c21 46084792 FPHJUAHEORQJQY-QINSGFPZSA-N 246.310 2.710 30 40 BFEB C=CCNc1nnc(SCC(=C)C)s1 57804040 IDRBPNBMSFWZSO-UHFFFAOYSA-N 227.358 2.804 30 40 BFEB FC1=C(F)OC(C(F)(F)C(F)(F)F)O1 91252121 MARBDIOPLKQPTN-UHFFFAOYSA-N 226.047 2.623 30 40 BFEB C[C@H](O)C#Cc1ccc(OC(C)(C)C)cc1 95631437 YQKDILZKNGCZOK-NSHDSACASA-N 218.296 2.596 30 40 BFEB O=C1CCCC/C1=C\NCc1ccccc1 104097854 KLVAWWSRXIGVML-ACCUITESSA-N 215.296 2.803 30 40 BFEB COC(=O)c1ccccc1C#C[Si](C)(C)C 169918979 KJKMOADDOGZYQC-UHFFFAOYSA-N 232.355 2.702 30 40 BFEB C=C[C@@H](CC)OC(=O)c1cncc(C)c1 181210951 GEZSBHOHIWHILI-NSHDSACASA-N 205.257 2.511 30 40 BFEB CC(C)=CC(=O)c1ccc(N2CCOCC2)cc1 575358870 WBLGUZFUTXYBPF-UHFFFAOYSA-N 245.322 2.672 30 40 BFEB N#CCCNc1ccc(Cl)cc1[N+](=O)[O-] 3847557 MTEXBOQYGDTLSI-UHFFFAOYSA-N 225.635 2.574 30 40 BFEB biogenic CC(C)(C)CC(=O)Nc1ccccc1C#N 5496193 UCFQXDXJZCVRFX-UHFFFAOYSA-N 216.284 2.933 30 40 BFEB O=C(/C=C/c1ccco1)c1ccc2c(c1)OCO2 12249738 BCCAYRBFZSWGFX-SNAWJCMRSA-N 242.230 2.904 30 40 BFEB CCCC/N=C/C(Cl)(Cl)C(=O)OCC 17161922 XMRKEKYCPSNAPK-KPKJPENVSA-N 240.130 2.594 30 40 BFEB C=C(C)CN1CCC[C@H]1c1c(C)nn(C)c1C 71878776 VWDZOMSASZLVKI-ZDUSSCGKSA-N 233.359 2.750 30 40 BFEB CCOC(=O)[C@H]1O[C@]1(C)c1ccccc1Cl 85657664 JMUOTVUSPPPEHO-ZYHUDNBSSA-N 240.686 2.517 30 40 BFEB N#Cc1ncccc1SC(F)(F)F 95918422 NWYUCORTYBEEKA-UHFFFAOYSA-N 204.176 2.565 30 40 BFEB N#Cc1c(-c2cccc3ccccc23)noc1N 107074703 IJEINRRLWLLVDS-UHFFFAOYSA-N 235.246 2.949 30 40 BFEB Cc1nc(COc2ccc(C#N)cc2)cs1 143124 TZZWRROOAZYIBF-UHFFFAOYSA-N 230.292 2.902 30 40 BFEB C=CC[C@@H]1CC[C@](CC=C)(C(=O)OCC)C1=O 1670406 ZGBUVLVLPHQJOR-RISCZKNCSA-N 236.311 2.667 30 40 BFEB CC(C)=N/N=c1\scc(C)n1Cc1ccco1 4924950 CDAGAIMVHSAVDV-OWBHPGMISA-N 249.339 2.796 30 40 BFEB Cc1nnc(SCc2ccc(C#N)cc2F)o1 12817608 COIWQYBSQLNJCZ-UHFFFAOYSA-N 249.270 2.681 30 40 BFEB N#Cc1cccc(COCC(F)(F)F)c1 19513204 PBGMOWBZHIDDCB-UHFFFAOYSA-N 215.174 2.637 30 40 BFEB CO/N=C1/CCCc2[nH]c3ccc(F)cc3c21 45690417 KMCXIDOJEBITFJ-VBKFSLOCSA-N 232.258 2.994 30 40 BFEB C=CCCCNc1ccccc1C(=O)N(C)C 76019727 MHOMXPRFPCZQCI-UHFFFAOYSA-N 232.327 2.767 30 40 BFEB C[C@H]1OCC[C@H]1Sc1cccc(F)c1C#N 96484041 DBUKSHUABREXRP-LDYMZIIASA-N 237.299 2.967 30 40 BFEB N#CCCC[S@](=O)Cc1ccc(Cl)cc1 123305821 MVVJSJVAHQNUOP-OAHLLOKOSA-N 241.743 2.892 30 40 BFEB CCc1nc(SC2CCCC2)nc(N)c1C#N 225891406 GSHDTIXCFAFMEV-UHFFFAOYSA-N 248.355 2.528 30 40 BFEB C[C@@]12CC[C@@H](C/C1=N\O)[C@]2(C)CCC(=O)O 252505284 JNIZOMYFBBJLFI-QYJJDJLUSA-N 225.288 2.508 30 40 BFEB N#Cc1ccc(Oc2ccncc2C#N)cc1 399343118 AGPFNMJFVIVMAG-UHFFFAOYSA-N 221.219 2.617 30 40 BFEB COc1cccc(C(=O)c2ccc(C#N)cc2)c1 2574653 TZKPZLKZSQMCJL-UHFFFAOYSA-N 237.258 2.798 30 40 BFEB COc1ccc(-n2c(C)c(C)c(C#N)c2N)cc1 3888753 MLNPZDHYMKBHDQ-UHFFFAOYSA-N 241.294 2.557 30 40 BFEB C[C@H](C#N)Sc1nnc(-c2ccccc2)o1 5021148 YBDKVZSSCHHCTP-MRVPVSSYSA-N 231.280 2.741 30 40 BFEB Cn1cccc1/C=C/C(=O)c1ccccc1O 5425166 IFCXXDUCGVPWFF-CMDGGOBGSA-N 227.263 2.627 30 40 BFEB C=C(C)CNC(=S)N1[C@@H](C)CCC[C@@H]1C 6469088 YWSAZLGRVPIBES-QWRGUYRKSA-N 226.389 2.700 30 40 BFEB C=C(Br)Cc1cccc(OC)n1 43209565 TWMCQKGYESCJOH-UHFFFAOYSA-N 228.089 2.541 30 40 BFEB COc1ccc2nc(Cl)c(C=NO)cc2c1 254400688 OEUJWQZDVAFKIL-UHFFFAOYSA-N 236.658 2.705 30 40 BFEB CC(C)c1ccc(NC(=O)CS)cc1 111820 JPYKAJRFPLNARK-UHFFFAOYSA-N 209.314 2.678 30 40 BFEB CCOC(=O)/C(C)=N\Nc1ccc(Cl)cc1 4598935 TZUIRWBUCNJLAC-JYRVWZFOSA-N 240.690 2.691 30 40 BFEB biogenic COc1ccc(/C=N/Nc2nc(C)cs2)cc1 6218848 JDMMIMJFRBFCCE-NTUHNPAUSA-N 247.323 2.906 30 40 BFEB C(#Cc1ccccc1)CNCc1ccccc1 16480046 DULZMLWKBJSDRJ-UHFFFAOYSA-N 221.303 2.828 30 40 BFEB C=C(Cl)CN1CCC(N2CCCCC2)CC1 52004545 OAPWGQBFMDUVQG-UHFFFAOYSA-N 242.794 2.689 30 40 BFEB C[C@@]1(c2cccc(C(F)(F)F)c2)CO1 55032401 OGZPZRNVBXWJGE-VIFPVBQESA-N 202.175 2.951 30 40 BFEB in-vitro CCCCCC[C@@H](CC)C(=O)NCC#N 71909752 FUURNOMLEWNABZ-LLVKDONJSA-N 210.321 2.623 30 40 BFEB C#C[C@H](OC(=O)c1ccc(C)cc1)C1CC1 89491205 PSRTUUQJRSTJLW-ZDUSSCGKSA-N 214.264 2.564 30 40 BFEB N#Cc1ccc2c(c1)O[C@@](F)(Cl)C(F)(F)O2 91252456 KTCVZQPDMJUMSC-MRVPVSSYSA-N 249.575 2.784 30 40 BFEB C=C1C(=O)O[C@H]2C[C@@H](C)C(CCC(C)=O)=CC[C@@H]12 14620388 AVFIYMSJDDGDBQ-IIMNLJJBSA-N 248.322 2.810 30 40 BFEB biogenic,in-vitro CC(=O)OCC[C@H](C)CC[C@H]1OC1(C)C 34612659 MRGMCVIMBUZMEC-MWLCHTKSSA-N 214.305 2.533 30 40 BFEB Cc1ccccc1CN(C)CCCC#N 42223686 YAQZDPAMHBJQFS-UHFFFAOYSA-N 202.301 2.731 30 40 BFEB C[C@]1(c2cccc(C(F)(F)F)c2)CO1 55032399 OGZPZRNVBXWJGE-SECBINFHSA-N 202.175 2.951 30 40 BFEB in-vitro O=C1c2ccccc2/C(=N\O)[C@H]1c1ccccc1 98174785 FZRRFJVANVZWRS-ZPTIMJQQSA-N 237.258 2.845 30 40 BFEB N#C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)O 585656348 XELAKGFOSHQOKP-ZETCQYMHSA-N 244.077 2.760 30 40 BFEB CCCCCCCCOC(=O)CCN1CC1 1667834 KOSMZUJNKIHECN-UHFFFAOYSA-N 227.348 2.596 30 40 BFEB C#Cc1c(-c2c[nH]c3ccccc23)ccc[n+]1C 1715374 YSJUJQOEBUECOV-UHFFFAOYSA-N 233.294 2.641 30 40 BFEB C=CCCc1cccc(C(=O)OCC)c1 2245355 KIQZPSZAZDMFDY-UHFFFAOYSA-N 204.269 2.982 30 40 BFEB Cc1c[nH]cc1C(=O)OCC#Cc1ccccc1 48326546 IDNFEGWGCOKZJA-UHFFFAOYSA-N 239.274 2.532 30 40 BFEB Cc1cc(C(=O)CC#N)c(C)n1C(C)C 85396850 OTYKOBNISIRRMV-UHFFFAOYSA-N 204.273 2.782 30 40 BFEB CSc1nccc(Oc2ccc(C#N)cc2)n1 984099 BHDDXKPXMYQJOV-UHFFFAOYSA-N 243.291 2.862 30 40 BFEB Nc1ccccc1N/N=C/c1ccccc1 8654890 LEECWLZJGWLVIS-XNTDXEJSSA-N 211.268 2.715 30 40 BFEB CC(C)(C)c1ccccc1OC[C@@H]1CO1 9596223 UZYFEQIMORYGRW-JTQLQIEISA-N 206.285 2.762 30 40 BFEB in-vitro N#CCSc1nc(-c2ccccc2)c[nH]1 27659429 KQLNOUMLUADJLM-UHFFFAOYSA-N 215.281 2.692 30 40 BFEB C=CCNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 53462871 PFMUWFIFGQEAQH-QWRGUYRKSA-N 207.317 2.527 30 40 BFEB N#Cc1c(Br)ccc2ncccc12 84847364 DTWHKRFZYKUTHB-UHFFFAOYSA-N 233.068 2.869 30 40 BFEB C=CCc1cc(C=O)cc(Br)c1O 90735494 TXVRGESXWPGXLE-UHFFFAOYSA-N 241.084 2.696 30 40 BFEB C=CCN1C[C@H]2CC[C@H](C1)N2Cc1ccccc1 100015808 MUDUFRFJYXOJGQ-HZPDHXFCSA-N 242.366 2.521 30 40 BFEB Cc1ccc(NC(=O)CS)c(Cl)c1 152537 BZVCBRFUHPDTHF-UHFFFAOYSA-N 215.705 2.517 30 40 BFEB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)CC#N 3846263 KCZNYQIXVJEFPW-QJPTWQEYSA-N 223.316 2.904 30 40 BFEB CC1=C(/C=C\C(C)=N/N=C(N)N)C(C)(C)CCC1 17376393 ZEWDNOFNNKZKDB-FPJXICRKSA-N 248.374 2.719 30 40 BFEB N#Cc1nc2ccc(Br)cc2s1 33948591 LITDULGWAMMAPE-UHFFFAOYSA-N 239.097 2.930 30 40 BFEB COc1ccc(C(F)(F)F)cc1CC#N 38529584 XGILINGTRFYWBV-UHFFFAOYSA-N 215.174 2.780 30 40 BFEB C#CC[C@](C)(O)c1ccc(Br)cc1 63076733 CQVDSRPULLALKA-NSHDSACASA-N 239.112 2.680 30 40 BFEB CCCCOc1c(C)cc(/C(N)=N/O)cc1C 88155734 ZRLZESGUVLOHPD-UHFFFAOYSA-N 236.315 2.577 30 40 BFEB C[C@@H](O)C#Cc1ccc(C(C)(C)C)cc1 95631488 GVYJEYBSYSBGCN-LLVKDONJSA-N 202.297 2.716 30 40 BFEB CCOC(=O)[C@H](C#N)/N=N/c1cc(C)ccc1C 103550027 QKDZXZWNIXRSJD-VVLLMFOMSA-N 245.282 2.842 30 40 BFEB COc1ccc(C=[N+]([O-])c2ccccc2)cc1 104049179 GIBHBSRKHBYUKU-UHFFFAOYSA-N 227.263 2.956 30 40 BFEB CCCn1c(C#N)cc(N)c1N1CCC(C)CC1 225866429 LETSSZDMGYCCKM-UHFFFAOYSA-N 246.358 2.588 30 40 BFEB CN(C)/C=C/C(=O)c1ccc(OC(F)F)cc1 2534790 BWMZYULNGCTDMB-BQYQJAHWSA-N 241.237 2.546 30 40 BFEB N#CCC(=O)c1cccn1Cc1ccccc1 14628852 ZRKKMPGGTGOVBO-UHFFFAOYSA-N 224.263 2.633 30 40 BFEB CCOc1ccc2nc(CC#N)sc2c1 42384904 LIFUNHGTZYPDGD-UHFFFAOYSA-N 218.281 2.761 30 40 BFEB in-vitro Fc1c(F)c(F)c(OC(F)F)c(F)c1F 47203387 SBTSYEMMYJZFRN-UHFFFAOYSA-N 234.070 2.984 30 40 BFEB C=C(C)C(=O)c1cc(F)c(F)c(F)c1 86022504 TZKSVXJCRYQXRU-UHFFFAOYSA-N 200.159 2.863 30 40 BFEB Cc1cc(SC(F)(F)F)ncc1C#N 95918425 QMXILGZKPLMDOI-UHFFFAOYSA-N 218.203 2.874 30 40 BFEB CC(C)=C[C@H]1[C@H](C(=O)N(CC#N)C2CC2)C1(C)C 95956371 RIZTUHGISSPNID-QWHCGFSZSA-N 246.354 2.739 30 40 BFEB N#Cc1ccc(N2C[C@H]3CCCC[C@@H]3C2)nc1 98018820 PSBWQKHPIBQPFZ-CHWSQXEVSA-N 227.311 2.580 30 40 BFEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/O)[C@H]2[n+]1ccccc1 105302026 GOJSQMBDTXKYPT-HPJAEMANSA-O 245.346 2.802 30 40 BFEB C=C(CC/C=C(/C)CO)[C@@H]1CC=C(C)[C@H](O)C1 2332242427 PXCAMHCTNIGGNE-ILSYHXBVSA-N 236.355 2.979 30 40 BFEB CCOP(=O)(N=C1SCS1)OCC 2016152 RHJOIOVESMTJEK-UHFFFAOYSA-N 241.274 2.961 30 40 BFEB in-vitro CN(C)c1ccc(/C=N\N2CCCCCC2)cc1 31659112 RVOJEUDQQHLIER-SSZFMOIBSA-N 245.370 2.963 30 40 BFEB C/C=C/C=N\N(C)C(=N)c1ccccc1 33768360 VRLMXMWOCCSAIT-JBAZUGGQSA-N 201.273 2.506 30 40 BFEB COc1ccc(Br)cc1CCC#N 49600433 FERAPTIKPBBCIN-UHFFFAOYSA-N 240.100 2.914 30 40 BFEB CC(C)N(CCC#N)C(=O)/C=C/c1ccsc1 69700851 LBUBSDAFHIPXJX-SNAWJCMRSA-N 248.351 2.912 30 40 BFEB CCO/C(O)=C/[C@@H](CC#N)C(F)(F)F 91695894 JVUAQKZGURYUMF-LUFONEFESA-N 209.167 2.514 30 40 BFEB CCCC[C@H](O)C#Cc1ccc(OC)c(OC)c1 95631963 TVMMAQURTVVKSR-ZDUSSCGKSA-N 248.322 2.606 30 40 BFEB C/C(=C\C(=O)NCC#Cc1ccccc1)C1CC1 96296671 DYQIFKQBRQDLDT-OUKQBFOZSA-N 239.318 2.511 30 40 BFEB C=C[C@@H](C)OC(=O)c1cn(C(C)(C)C)nc1C 187573083 QCOZJSGQRQXJEV-SECBINFHSA-N 236.315 2.678 30 40 BFEB Cn1c(C#N)cc(N)c1Oc1cccc(Cl)c1 225881508 SBGHNJHUAZIXCN-UHFFFAOYSA-N 247.685 2.925 30 40 BFEB Oc1ccc(/C=N/c2ccccc2)c(O)c1O 17284131 VHOVVVIQTPGKFP-RIYZIHGNSA-N 229.235 2.554 30 40 BFEB COc1ccc(OC)c(/N=C/c2ccncc2)c1 18188370 DCHQULBCYBITRL-MHWRWJLKSA-N 242.278 2.849 30 40 BFEB CC1CCN(Cc2cccc(C#N)c2)CC1 19482890 INKXBWHRCMUFKJ-UHFFFAOYSA-N 214.312 2.790 30 40 BFEB CC(C)C(=O)[C@H](C#N)c1cccc(F)c1 36931246 HKDWOJDHMAOQPG-LLVKDONJSA-N 205.232 2.658 30 40 BFEB Cc1nnc(NC[C@@H]2CC=CCC2)c(C#N)c1C 44572599 DXASWLVHNRWWIY-GFCCVEGCSA-N 242.326 2.733 30 40 BFEB N#CCCSc1nnc(-c2ccccc2)o1 60383035 PIJQFCVQWMNBTO-UHFFFAOYSA-N 231.280 2.742 30 40 BFEB C=CCNCc1cc(C)ccc1OCC 95094922 JRUAZHGLYKNNOD-UHFFFAOYSA-N 205.301 2.669 30 40 BFEB C=CCN(CCCCOC)C1CCCC1 95398353 VPAWCIMJEFOIHC-UHFFFAOYSA-N 211.349 2.844 30 40 BFEB N#CCCSC(F)(F)C(F)(F)F 95918291 LOQKKHUSSFZNHA-UHFFFAOYSA-N 205.151 2.788 30 40 BFEB CC(C)(CO)/N=C\c1ccccc1Cl 100523465 ZLMIBFJYFFRHFJ-QPEQYQDCSA-N 211.692 2.530 30 40 BFEB N#Cc1cc([N+](=O)[O-])cnc1Oc1ccccc1 478651 JJUDSOHJCSTVLE-UHFFFAOYSA-N 241.206 2.654 30 40 BFEB CNc1oc(/C=C/c2ccc(F)cc2)nc1C#N 20446552 SZPFPHCPMNYLED-QPJJXVBHSA-N 243.241 2.897 30 40 BFEB N#CCc1c[nH]c2ccc(Br)cc12 26894206 QPEAZVAMEMXQHF-UHFFFAOYSA-N 235.084 2.996 30 40 BFEB Cc1cc(C#N)cc(OC(F)(F)F)c1 38529748 RUVNGFLRCPBNJK-UHFFFAOYSA-N 201.147 2.765 30 40 BFEB CCc1cccc(C)c1NC(=O)CSCC#N 40513004 DBZMYSYSDPPWTC-UHFFFAOYSA-N 248.351 2.753 30 40 BFEB Cc1cc(C#N)cnc1OCc1ccccc1 72222377 ADBOAJYYCJBXQK-UHFFFAOYSA-N 224.263 2.841 30 40 BFEB O/N=C/c1ccc(Nc2ccccc2)nc1 72225293 ZBVQAMBQQPNREI-NTEUORMPSA-N 213.240 2.633 30 40 BFEB CC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 94993302 HOSZCLQZBNGFIS-BQYQJAHWSA-N 205.213 2.587 30 40 BFEB CCc1cccc(C2(C#N)CC(OC)(OC)C2)c1 96509070 QIDLXZGWCZQDJF-UHFFFAOYSA-N 245.322 2.793 30 40 BFEB C[C@@H]1CC[C@H]1COc1ccc(C#N)cc1 96526456 JSQIEDNLUQCLIA-PWSUYJOCSA-N 201.269 2.983 30 40 BFEB C[Si](C)(C)C#Cc1cnn(CC2CC2)c1 1857794466 INGGLYCLPPKPRX-UHFFFAOYSA-N 218.376 2.522 30 40 BFEB C=CCNC(=O)c1ccc(Cl)c(Cl)c1 1808053 PSGJMCFHDCSCBY-UHFFFAOYSA-N 230.094 2.909 30 40 BFEB Cc1[nH]c(SCC#N)nc1Cc1ccccc1 4485585 DGSGBSPCFRCBEL-UHFFFAOYSA-N 243.335 2.925 30 40 BFEB Cc1noc(C)c1COc1ccc(C#N)cc1 5111611 DUDHHHURVHNGEG-UHFFFAOYSA-N 228.251 2.742 30 40 BFEB N#Cc1ccc(/C=C/C(=O)NC2CCCC2)cc1 15593259 PWULCNIVDRZQCY-MDZDMXLPSA-N 240.306 2.630 30 40 BFEB C=CCNC(=O)Nc1ccc(SC)cc1 33720314 SBLYSJHNFYKCME-UHFFFAOYSA-N 222.313 2.716 30 40 BFEB C[C@H]1C[C@H](C)CN(C(=O)C2(C#N)CCCC2)C1 44300139 URIHVCRIXUZQTL-RYUDHWBXSA-N 234.343 2.575 30 40 BFEB C[C@]1(c2ccccc2C(F)(F)F)CO1 55032407 YUSBYYGGAIUFJP-SECBINFHSA-N 202.175 2.951 30 40 BFEB CC/N=C(\NCC)SCC(F)(F)C(F)F 74942621 KFBOGQLLIANNMS-UHFFFAOYSA-N 246.273 2.605 30 40 BFEB O=C1C2=C(C(=O)c3ccccc31)[C@@H]1C=C[C@@H]2C1 100487772 UGTIHRDRMFXRLO-RKDXNWHRSA-N 222.243 2.568 30 40 BFEB C[C@H]1CC/C(=N/[N+](C)(C)C)c2ccccc21 104138341 YITGCHRPMDLEQI-ICFTUWFRSA-N 217.336 2.994 30 40 BFEB C=C(Cl)CNc1ccccc1C(=O)O 1561341 PTGMQPRBCPDTBB-UHFFFAOYSA-N 211.648 2.549 30 40 BFEB CCCCCCC(=O)C[n+]1ccccc1 1666378 HHYQVTIWEXTTJG-UHFFFAOYSA-N 206.309 2.514 30 40 BFEB C[C@@H]1CCC[C@@H](C)N1[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2 16608863 FJTNUHLQJBBRRC-RADWYQBESA-N 236.359 2.878 30 40 BFEB N#Cc1ccccc1OCc1ccccn1 19506027 UEABKUODNFPMIY-UHFFFAOYSA-N 210.236 2.532 30 40 BFEB C=CCOc1cc(Cl)ccc1C(=O)O 42220610 ULENZBGIJCMPGD-UHFFFAOYSA-N 212.632 2.603 30 40 BFEB N#Cc1ccc(C(=O)c2ccsc2)cc1 43210292 CHMYSGYWUPHBKD-UHFFFAOYSA-N 213.261 2.851 30 40 BFEB CCc1c(C#N)c(SCC#N)nc2c1CCC2 95117465 IPOSCSAAQBSIHG-UHFFFAOYSA-N 243.335 2.620 30 40 BFEB N#C[C@@H]1CCC[C@H]1NCC1(C2CC2)CCC1 95462858 VVRJSYSEOLGPFP-WCQYABFASA-N 218.344 2.849 30 40 BFEB C[C@H](O)CC#Cc1cc(F)cc(Cl)c1 95633344 JMQCRWBNGUAVLC-QMMMGPOBSA-N 212.651 2.602 30 40 BFEB O=C1C2=C(C(=O)c3ccccc31)[C@@H]1CC[C@@H]2C1 100080758 IVURNAYIUXKZSY-RKDXNWHRSA-N 224.259 2.792 30 40 BFEB COc1ccc(/N=C(\C)CC(C)=O)cc1 100390210 KVXBWNALARBTOX-UKTHLTGXSA-N 205.257 2.767 30 40 BFEB C=C1C(=O)O[C@H]2[C@@H]3O[C@]3(C)CC/C=C(\C)CC[C@H]12 299844050 KTEXNACQROZXEV-GWDYSJTMSA-N 248.322 2.762 30 40 BFEB COC(=O)CC[C@H](C#N)c1cccc(Cl)c1 575436636 MDGRHEYEJDWBIF-SNVBAGLBSA-N 237.686 2.900 30 40 BFEB C=C1CCCN(C(=O)[C@@H]2CC=CCC2)C1 618254235 SMSNBBVFPARDFC-GFCCVEGCSA-N 205.301 2.521 30 40 BFEB N#Cc1ccc(NC(=O)/C=C/c2ccco2)cc1 70501 OAKHGKHDVAFLEP-BQYQJAHWSA-N 238.246 2.803 30 40 BFEB O=C(O)[C@H](S)c1ccc2ccccc2c1 4362805 DGZKIYVMIQKIPB-LLVKDONJSA-N 218.277 2.895 30 40 BFEB O/N=C1/[C@H]2CCC[C@@H]1[C@@H](N1CCCCC1)CC2 12320933 UEMQBUNIAKDORY-GKMTYKGUSA-N 236.359 2.881 30 40 BFEB Oc1ccccc1/C=N\N=C/c1ccccc1O 16890928 STOVYWBRBMYHPC-VULZFCBJSA-N 240.262 2.551 30 40 BFEB C[C@@H]1CC(=O)C=CN1C(=O)OCc1ccccc1 34567619 CZZXYDLQRNIZGZ-LLVKDONJSA-N 245.278 2.500 30 40 BFEB COc1ccc([C@@H](C#N)C(=O)C(C)C)cc1 36931024 TYKZSVYGCPNFKV-GFCCVEGCSA-N 217.268 2.527 30 40 BFEB CC(C)=C[C@H]1[C@H](C(=O)N(C)CCC#N)C1(C)C 58309410 IFOGRFAUJJLLKU-NWDGAFQWSA-N 234.343 2.597 30 40 BFEB C[C@H](c1cccnc1)N(C)Cc1ccc(C#N)o1 97375299 SWNADYMZACLQJP-LLVKDONJSA-N 241.294 2.739 30 40 BFEB CCCCCCCNC(=O)c1cccc(N)c1 100015330 QOMAZJNUCVPEDT-UHFFFAOYSA-N 234.343 2.969 30 40 BFEB C=CCOC(=O)c1ccc2[nH]ccc2c1 142988213 NEVYHRMJCAGZHD-UHFFFAOYSA-N 201.225 2.511 30 40 BFEB N#Cc1ccc(NC(=O)Cc2ccccc2)cc1 142261 JNHXEOULFHSWMY-UHFFFAOYSA-N 236.274 2.739 30 40 BFEB C[N+](C)(C)CC(=O)c1ccc2ccccc2c1 1669535 GRWQXBMHUWVXTA-UHFFFAOYSA-N 228.315 2.729 30 40 BFEB C[C@@H](N/C=C\C(=O)C(F)(F)F)c1ccccc1 3134009 FVGVHYUYESBBLJ-UFGYOYAJSA-N 243.228 2.982 30 40 BFEB CN(/N=C/c1cccc(O)c1)c1ccccc1 7351117 WMHGRYIEWMILHS-RVDMUPIBSA-N 226.279 2.863 30 40 BFEB C=C1CCC[C@]2(C)CC[C@@H]([C@@](C)(O)CO)C[C@@H]12 15208649 FUUSVPZQXDAJBK-BARDWOONSA-N 238.371 2.892 30 40 BFEB biogenic,in-vitro CCOC(CCOc1ccc(C#N)cc1)OCC 75767570 RENMOLLSQTXVQZ-UHFFFAOYSA-N 249.310 2.726 30 40 BFEB in-vitro CNc1ccccc1C#C[Si](C)(C)C 199331505 DJOKLYSMQBPXHH-UHFFFAOYSA-N 203.361 2.957 30 40 BFEB Cc1oc(C(C)(C)C)cc1C(=O)CC#N 113358 VUIYXXHOSBPMTG-UHFFFAOYSA-N 205.257 2.982 30 40 BFEB N#Cc1cccc(/N=C/c2ccc(O)cc2O)c1 2131484 BTQGCXJRJSROBU-CXUHLZMHSA-N 238.246 2.720 30 40 BFEB CC(C)C[C@@H](CC#N)NC(=O)OC(C)(C)C 4291198 MBYHFWNDSROMGX-SNVBAGLBSA-N 226.320 2.839 30 40 BFEB ClC(Cl)(Cl)/C=N/c1ncccn1 4529934 AWDYVYGWIXPIDG-UUILKARUSA-N 224.478 2.549 30 40 BFEB COc1ccc(Nc2ncccc2C#N)cc1 19518923 ZUWKHMJJQUUUHF-UHFFFAOYSA-N 225.251 2.705 30 40 BFEB C#CCN[C@H](C)c1ccc(Br)cc1 19875434 COILKWAEBVWUEJ-SECBINFHSA-N 238.128 2.733 30 40 BFEB N#CCNc1cc(Cl)cc(Cl)c1 20046811 XXRACNMYZLWSFJ-UHFFFAOYSA-N 201.056 2.929 30 40 BFEB N#Cc1ccc(OCC(F)(F)C(F)F)cc1 20518151 GZIPIZDAJSTCJN-UHFFFAOYSA-N 233.164 2.837 30 40 BFEB Cc1c(C#N)c(=O)oc2cc(OC(C)C)ccc12 72226064 KKDRQOUMPFKZJT-UHFFFAOYSA-N 243.262 2.760 30 40 BFEB C=C[C@H](N)c1ccc(Br)cc1 83944905 ZXZSYYGFRUPTLU-VIFPVBQESA-N 212.090 2.635 30 40 BFEB COC(=O)[C@]1(C)O[C@@]1(C)c1ccc(Cl)cc1 85657797 NHENVTFPIUKJRS-RYUDHWBXSA-N 240.686 2.517 30 40 BFEB CC(C)c1c(C#N)c(Cl)nc2c1CN(C)CC2 96511125 ZHGJEIVTXYWXLG-UHFFFAOYSA-N 249.745 2.718 30 40 BFEB C[C@@H](c1ccccn1)N(C)Cc1ccc(C#N)o1 97113667 XXBQKONBQRXTNB-NSHDSACASA-N 241.294 2.739 30 40 BFEB C=CCOc1ccc(NC(=O)NCCC)cc1 225773756 YHACUSRZVOTHHH-UHFFFAOYSA-N 234.299 2.783 30 40 BFEB C/C(=C\C(=O)N[C@H](C)CC#N)c1cccc(F)c1 264686073 PUNGGURMFNHUHM-RJCSOLBVSA-N 246.285 2.647 30 40 BFEB O=C1C(=C2CCCC2)Oc2ccc(O)cc21 542813 MLCCBUAFUVHHQM-UHFFFAOYSA-N 216.236 2.795 30 40 BFEB biogenic CCCCNC(=S)NN=C1CCCCCC1 6298816 NYNRINDXKIGPJI-UHFFFAOYSA-N 241.404 2.961 30 40 BFEB CCSc1nncn1/N=C/c1ccc(C)cc1 36611521 JJOLGIXVTKPUIF-RIYZIHGNSA-N 246.339 2.581 30 40 BFEB O=S(=O)(OCc1ccccc1)c1ccccc1 39207310 JOKYYJPVAFRMIT-UHFFFAOYSA-N 248.303 2.592 30 40 BFEB in-vitro O=C[C@H]1C[C@@H]1c1ccccc1Br 75422305 QPUOVWMSNKRPBF-APPZFPTMSA-N 225.085 2.752 30 40 BFEB CC(C)[C@@H](O)C#Cc1cc(F)cc(Cl)c1 95633348 RJPSJLAAUHGHFH-LBPRGKRZSA-N 226.678 2.848 30 40 BFEB CCC/C(Cl)=N\O[P@](=O)(OC)N(C)C 100740627 SIXYMCQSDNFFFV-RCQQVGEISA-N 242.643 2.672 30 40 BFEB C[C@@H]1CC2=C(C(=O)c3ccccc3C2=O)[C@@H](C)O1 1592902 IQCSFOBYTJBFFN-RKDXNWHRSA-N 242.274 2.560 30 40 BFEB S[C@@H]1CCCN(Cc2ccccc2)C1 3954597 FAYCWBNEJGQOEO-GFCCVEGCSA-N 207.342 2.581 30 40 BFEB in-vitro CN(C)c1ccc(/C=N\N=C\c2ccco2)cc1 4825060 YGENLWYNHAZKMQ-MBKDJOQRSA-N 241.294 2.799 30 40 BFEB C[C@@H](CCc1ccco1)Nc1ccc(C#N)cn1 49957092 NSOKDTLMPFWDRD-NSHDSACASA-N 241.294 2.979 30 40 BFEB CCN(CC)CC#Cc1cc(C)ccc1C 95633574 WVBAHGQNXZIURA-UHFFFAOYSA-N 215.340 2.997 30 40 BFEB CCn1ccnc1SCCCCC#N 96475482 SWINYXAUMCIIJZ-UHFFFAOYSA-N 209.318 2.689 30 40 BFEB CC(C)(C)C(=O)/C=C1/Nc2ccccc2NC1=O 100400717 NHBLHYWTUYSHPP-DHZHZOJOSA-N 244.294 2.550 30 40 BFEB CN(C)c1ccc(/C=N/Nc2ccccc2)o1 408997132 RLZKPQHBFXIRND-GXDHUFHOSA-N 229.283 2.792 30 40 BFEB Cc1cccc(C(=O)/C=C/n2ccc(=N)cc2)c1 409415743 JCWWXEXJYTXKRF-JXMROGBWSA-N 238.290 2.630 30 40 BFEB Cc1ccccc1-c1nnc(SCC#N)o1 4927622 TVINHDWQZKKDGU-UHFFFAOYSA-N 231.280 2.661 30 40 BFEB Cc1occc1C(=O)OCc1ccc(C#N)cc1 7846671 FGLGTJKPYNKKRH-UHFFFAOYSA-N 241.246 2.817 30 40 BFEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1C 20672529 GUARUBFYQWFRBJ-VIFPVBQESA-N 241.294 2.886 30 40 BFEB O=C(/C=C/c1ccccc1)[C@H]1CCCNCC1 35569158 CVPXCOGMHULQHQ-VFNNOXKTSA-N 229.323 2.659 30 40 BFEB C[C@@H](C#N)CNc1ccc([N+](=O)[O-])cc1Cl 72307614 FSAABDVPTQKHKN-ZETCQYMHSA-N 239.662 2.820 30 40 BFEB C[C@H](Cc1ccc(Cl)cc1)N(C)CC#N 76733392 IMKOSKRMKMLVLS-SNVBAGLBSA-N 222.719 2.726 30 40 BFEB N#CCc1ccc(OC(F)(F)F)cc1F 91252269 CABIXKMVRXTRSN-UHFFFAOYSA-N 219.137 2.790 30 40 BFEB CC(C)(C)[S@@](=O)/N=C\c1ccccc1 118801041 KHEXSXPVKHWNOZ-UQTJOTSZSA-N 209.314 2.568 30 40 BFEB CO/N=C/c1c(-c2ccccc2)nn(C)c1Cl 4091642 HYXNGVQNUQAQOA-RIYZIHGNSA-N 249.701 2.721 30 40 BFEB Cc1csc(NC(=O)c2cccc(C#N)c2)n1 5678346 RXWYJGLYQKXERX-UHFFFAOYSA-N 243.291 2.576 30 40 BFEB N#CCc1ccc(OCc2ccncc2)cc1 19483479 UKXCCQMTBCFURV-UHFFFAOYSA-N 224.263 2.727 30 40 BFEB in-vitro C[C@@H]1CCCCN1c1ccc(C#N)cc1N 22124370 NPEGKGABRQRYKQ-SNVBAGLBSA-N 215.300 2.519 30 40 BFEB C#Cc1cccc(NC(=O)Cc2ccsc2)c1 32900719 WXXCBPWNDUBWSP-UHFFFAOYSA-N 241.315 2.911 30 40 BFEB Cc1ccc(CCC=O)cc1Br 71533011 DJKXWNMNSYQDSV-UHFFFAOYSA-N 227.101 2.889 30 40 BFEB CCOC(=O)[C@]1(CC)O[C@]1(CC)C(C)C 86166028 XURXWESNUJXYDV-NEPJUHHUSA-N 214.305 2.533 30 40 BFEB O=CCc1c(F)cccc1C(F)(F)F 95631411 UDPRYGFIRSTSSV-UHFFFAOYSA-N 206.138 2.586 30 40 BFEB O/N=C/c1cc2ccccc2nc1Cl 100007492 KTZXCDZMISQMMF-WUXMJOGZSA-N 206.632 2.696 30 40 BFEB CCc1c(N)cc(C#N)n1Cc1cccc(C)c1 225855862 VTZWZMJOEQWXRV-UHFFFAOYSA-N 239.322 2.861 30 40 BFEB C#CC[C@@H]1CN2CC[C@H]1[C@H](c1ccccc1)C2 248160353 GMHYBUWLMCQRPO-OAGGEKHMSA-N 225.335 2.745 30 40 BFEB C=CCc1cc(CO)cc(OC)c1OCCC 409115738 GYUAZOWDGCMTEA-UHFFFAOYSA-N 236.311 2.705 30 40 BFEB CCCC/C=C(/C)[C@](C)(C#N)C(=O)OC 1716510 OJHQJXCNQSAKQM-CUZBXDDWSA-N 209.289 2.826 30 40 BFEB CC(C)(O)C#CC[C@]1(C)CC1(Cl)Cl 5534773 WZJMDKUIEIBYNU-SECBINFHSA-N 221.127 2.735 30 40 BFEB Cc1nc(O)c(C#N)c(C(F)(F)F)c1Cl 22995898 ASIAROODYAVYRI-UHFFFAOYSA-N 236.580 2.640 30 40 BFEB C/C(=C\C(=O)c1cccnc1)Nc1ccncc1 32100659 RFYORYVTFKTMOU-PKNBQFBNSA-N 239.278 2.675 30 40 BFEB C=CCN(CC=C)Cc1ccc(Cl)nc1 69221161 HXVJBMSZKDPATD-UHFFFAOYSA-N 222.719 2.909 30 40 BFEB CC[C@]1(c2ccc(Cl)cc2)O[C@@H]1C(=O)OC 85657567 MMUHJHYWWDKJFA-ZYHUDNBSSA-N 240.686 2.517 30 40 BFEB C[C@@H](CCc1cccc(F)c1)N(C)CC#N 97370741 GHJXXUKGSYYBFH-NSHDSACASA-N 220.291 2.602 30 40 BFEB C=CCNC(=O)CCc1ccc(C)c(C)c1 225450091 HVVLVIDWCRTSEJ-UHFFFAOYSA-N 217.312 2.538 30 40 BFEB C[C@@H]1CC[C@@](C)(C(=O)C[N+](C)(C)C)C1(C)C 4266795 OVSUYKFDMHUGIX-RISCZKNCSA-N 226.384 2.724 30 40 BFEB N#Cc1cccc(OCc2ccccc2)n1 34619642 FWIJCBURYXWOFE-UHFFFAOYSA-N 210.236 2.532 30 40 BFEB in-vitro COc1cccc(Nc2ccc(C#N)cc2N)c1 35674606 YBPFSTPRCNKTLC-UHFFFAOYSA-N 239.278 2.893 30 40 BFEB CC[C@H](C)NC(=O)Nc1cccc(OCC#N)c1 48488650 RXGSSBSTADFWTP-JTQLQIEISA-N 247.298 2.509 30 40 BFEB CC(C)(CC#N)NC(=O)OCc1ccccc1 72191312 SNRLEYUDOZNHMI-UHFFFAOYSA-N 232.283 2.605 30 40 BFEB C[C@@H](OC(=O)c1cccc(CC#N)c1)C1CC1 78442456 VHRNYKMFGXKVCQ-SNVBAGLBSA-N 229.279 2.708 30 40 BFEB N#CCC(=O)c1cccn1CCc1ccccc1 85396844 CVPBGDJINXNBNT-UHFFFAOYSA-N 238.290 2.827 30 40 BFEB C(=N\OCCc1ccccc1)\c1ccccn1 4577922 KBIACYAMUCSGOF-VBKFSLOCSA-N 226.279 2.675 30 40 BFEB N#C[C@H](C(=O)c1ccc(F)cc1)c1ccccn1 12531253 GUKMVKBMPBOAHG-LBPRGKRZSA-N 240.237 2.711 30 40 BFEB O=C(/C=C/c1ccco1)CCN1CCCCC1 17301170 RFXOHIPPVIYVPW-VOTSOKGWSA-N 233.311 2.738 30 40 BFEB CCCCCNC(=O)/C=C/c1cccc(C#N)c1 33145109 ZIHXSCBBTVQIDS-CMDGGOBGSA-N 242.322 2.878 30 40 BFEB CC(=O)/C=C/c1cccc(OCCCC#N)c1 57218418 SRIMEUFTMMZFPF-BQYQJAHWSA-N 229.279 2.971 30 40 BFEB in-vitro C=CCCn1ccnc1[C@@H](O)c1ccccc1 154869306 FMCNPXSPEUDPTC-ZDUSSCGKSA-N 228.295 2.541 30 40 BFEB N#Cc1ccc(N[C@H](CO)CC2CCCC2)cc1 611222225 IIIWNQUYDFPYCK-HNNXBMFYSA-N 244.338 2.911 30 40 BFEB CCC[C@H](C)C(=O)Nc1ccc(C#N)cc1 4691231 KDPIYIAWLYFYPA-JTQLQIEISA-N 216.284 2.933 30 40 BFEB CS/C(N)=N/c1cccc2c1CCCC2 6485235 OIYCTDGBKHFBNB-UHFFFAOYSA-N 220.341 2.875 30 40 BFEB CCCc1noc2c1/C(=N\O)CC(C)(C)C2 11549129 VRKGNIMYDDHFFF-LCYFTJDESA-N 222.288 2.778 30 40 BFEB C/C(=N/O)c1cccc(C(F)(F)F)c1 12417369 QQGVWMIRCZEUBB-MLPAPPSSSA-N 203.163 2.904 30 40 BFEB CCOC(OCC)c1ccc(F)c(C#N)c1 66323410 PWINDASCTDSVAK-UHFFFAOYSA-N 223.247 2.769 30 40 BFEB in-vitro N#C/C(=N\O)c1nc(-c2ccc(F)cc2)cs1 100921588 DHDKUEHKQOOXKD-OQLLNIDSSA-N 247.254 2.651 30 40 BFEB CCN1CCS/C1=N\Cc1cccs1 102898816 ZRJDZNATPKMDDU-KHPPLWFESA-N 226.370 2.673 30 40 BFEB O=C(O)/C(Cl)=C(\Cl)C(=O)c1ccccc1 1624746 CYIYSHHZHWARAA-BQYQJAHWSA-N 245.061 2.643 30 40 BFEB N#CCC(=O)c1ccc(F)c(C(F)(F)F)c1 43566638 YYMKPIUYLMWMQL-UHFFFAOYSA-N 231.148 2.941 30 40 BFEB in-vitro CN(Cc1ccccc1)c1cccc(C#N)n1 80116519 PHNSRSMGDGFQGF-UHFFFAOYSA-N 223.279 2.590 30 40 BFEB C=CCC[C@@H](C)N[C@@H]1CCOC(C)(C)C1 97375367 JPOXPGYEXYAHTR-VXGBXAGGSA-N 211.349 2.888 30 40 BFEB C[C@H]1C[C@H](C=O)c2ccccc2N1C(=O)C1CC1 217549401 AHDPIFMVEJIYBV-CMPLNLGQSA-N 243.306 2.504 30 40 BFEB C=CCCC(=O)c1ccccc1OC(C)=O 309182640 FUVFCOUFPYVNAC-UHFFFAOYSA-N 218.252 2.761 30 40 BFEB C=CCOc1ccc(-n2cccc2C=O)cc1 8702363 XXPNOXAVSGWAJL-UHFFFAOYSA-N 227.263 2.855 30 40 BFEB C=CCNC(=S)Nc1ccc(OCC=C)cc1 14569180 VTTWXZGHNYSUGT-UHFFFAOYSA-N 248.351 2.724 30 40 BFEB CCO/N=C/c1c(C)[nH]c2ccccc12 17695918 RUMVSNUTJCJULV-MDWZMJQESA-N 202.257 2.847 30 40 BFEB Cc1cc(F)ccc1C#C[C@H](O)C(C)C 95632331 ZQRKTEPBKGAWOB-ZDUSSCGKSA-N 206.260 2.503 30 40 BFEB O=C(/C(Cl)=N\O)c1ccc(Cl)cc1 97950139 KPMRXNMLJSQAQE-DHZHZOJOSA-N 218.039 2.549 30 40 BFEB C=C(C)C(=O)OCc1c(F)cc(F)cc1F 98210754 KSOWESAUICTCKW-UHFFFAOYSA-N 230.185 2.723 30 40 BFEB CC(C)c1cccc2c1CCN(C(=O)CC#N)C2 188117571 AUYZGBKWPCEPCQ-UHFFFAOYSA-N 242.322 2.608 30 40 BFEB CC1(C)CC(B2OC(C)(C)C(C)(C)O2)=CCO1 202459352 CCGVKRLBJQCNMK-UHFFFAOYSA-N 238.136 2.743 30 40 BFEB CC(C)C(=O)N1c2ccccc2[C@H](C=O)C[C@H]1C 217549606 ITIXEQRDDZXHDL-NEPJUHHUSA-N 245.322 2.750 30 40 BFEB C=CCCN1CCC(N(C)c2ccccn2)CC1 1889084153 KQVCOYXQLQUQSQ-UHFFFAOYSA-N 245.370 2.558 30 40 BFEB CCCCC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 1875773 RRQJBUVUWJZRIP-SNVBAGLBSA-N 241.294 2.929 30 40 BFEB Nc1ccc(C(=O)/C=C/c2ccccc2O)cc1 5581549 UEOFDRZQHLTIIF-JXMROGBWSA-N 239.274 2.871 30 40 BFEB C[C@@H](C#N)OC(=O)c1cc2ccccc2s1 6113374 FOSCPAXPOGVCQW-QMMMGPOBSA-N 231.276 2.970 30 40 BFEB COc1ccccc1CN/N=C/c1ccc(C)o1 20761683 BSSIZXTUMKZZLS-MHWRWJLKSA-N 244.294 2.720 30 40 BFEB C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2CC=CCC2)C1 71909773 MULZMBFIJFMVMH-IPYPFGDCSA-N 246.354 2.931 30 40 BFEB C=C(C)CSCC(=O)Nc1cccc(C#N)c1 78991038 WKWDWQAZOHSZCF-UHFFFAOYSA-N 246.335 2.806 30 40 BFEB Cc1ccc(C#C[C@@H](O)C(C)C)cc1C 95633631 ALGNTWNKAJPKFM-CQSZACIVSA-N 202.297 2.672 30 40 BFEB COc1ccc(/N=C(/C)CC(C)=O)cc1 100390208 KVXBWNALARBTOX-LCYFTJDESA-N 205.257 2.767 30 40 BFEB CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C#N)CC1 100805223 QHZJRHRMFIDRFL-MGCOHNPYSA-N 224.304 2.593 30 40 BFEB COC(=O)c1ccc(C(=O)C=C(C)C)cc1 309380661 XUJJXHRLNNCFDH-UHFFFAOYSA-N 218.252 2.622 30 40 BFEB C/C=C/C(=O)c1ccccc1C(=O)OCC 309517529 VXZHNIALBDFWEN-XVNBXDOJSA-N 218.252 2.622 30 40 BFEB C=C(C)C(=O)c1cccc(C(=O)OCC)c1 381237187 LCPVURFOAHRHJC-UHFFFAOYSA-N 218.252 2.622 30 40 BFEB CCCCC[C@]1(C(=O)OCC)OC1(C)C 2046215 WMLKUPXOPBTQPQ-GFCCVEGCSA-N 214.305 2.677 30 40 BFEB C=CCn1c(=O)n(CC=C)c2cc(Cl)ccc21 5175322 FMPOAGPJKZDRGF-UHFFFAOYSA-N 248.713 2.828 30 40 BFEB N#Cc1ccc(NC(=O)NC2CCCC2)cc1 12984288 ASYRNSKBDVZVDY-UHFFFAOYSA-N 229.283 2.622 30 40 BFEB N#Cc1cc(F)c(F)c(Br)c1F 34141696 OQPHQCPPPSTEEL-UHFFFAOYSA-N 235.990 2.738 30 40 BFEB N#CC1(c2ccc3c(c2)OCO3)CCCC1 34940496 NVZCRYBBCPNMEQ-UHFFFAOYSA-N 215.252 2.751 30 40 BFEB C=C(C)CSc1nnc(C2CC2)n1CC 40464751 XSVGMSYXUZFNNP-UHFFFAOYSA-N 223.345 2.844 30 40 BFEB CCc1ccc(C#CC2(O)CCCC2)cc1 95632178 LGLXNOIATSSLGU-UHFFFAOYSA-N 214.308 2.906 30 40 BFEB CNc1oc([C@H]2C[C@@H]2c2ccccc2)nc1C#N 96346145 GGNLZMFFWPYLHL-MNOVXSKESA-N 239.278 2.859 30 40 BFEB C=C(C)CN1C[C@H](C)N(CC(=C)C)[C@H](C)C1 191139189 YYQARNHGAHEMRM-OKILXGFUSA-N 222.376 2.533 30 40 BFEB C[C@@H](F)COC(F)(F)[C@H](F)C(F)(F)F 1083807008 NZLUZXMZNARKII-QWWZWVQMSA-N 228.107 2.854 30 40 BFEB CCOC(=O)/C(C)=N/Nc1ccccc1CC 225502 OUKJWJKVOKWGQL-GXDHUFHOSA-N 234.299 2.600 30 40 BFEB C[C@H](C(=O)C1CCCCC1)[n+]1ccccc1 1598303 MZTJPXNHDPCUKF-GFCCVEGCSA-N 218.320 2.685 30 40 BFEB N#CCC(=O)c1ccccc1C(F)(F)F 2579789 ULZOOHHGJMAKCY-UHFFFAOYSA-N 213.158 2.802 30 40 BFEB in-vitro CC[C@H]1S/C(=N\c2ccccc2C)NC1=O 11638029 CWOSTWNWVJUZID-SNVBAGLBSA-N 234.324 2.624 30 40 BFEB in-vivo CC(C)(C)OC(=O)N1CCc2ccc(C#N)cc21 26894142 DZPWHKPORLOWIW-UHFFFAOYSA-N 244.294 2.856 30 40 BFEB C=CCCCC[C@H](O)CNCc1ccccc1 26897784 CPSQUBRAIRLFAS-HNNXBMFYSA-N 233.355 2.884 30 40 BFEB Cc1cccc(/C=N\Nc2nccs2)c1 31854334 IKCBORPFUKIVJU-JYRVWZFOSA-N 217.297 2.898 30 40 BFEB Cc1nc2cc(Cl)cc(CC#N)c2o1 89263578 CAOAJOQWUAYTSN-UHFFFAOYSA-N 206.632 2.856 30 40 BFEB CNC(=S)/C(C(C)=O)=C(/C)Nc1ccccc1 104194460 WKOJAMTYLUNJGX-XFXZXTDPSA-N 248.351 2.508 30 40 BFEB CCOC(=O)C(Cl)=NNc1ccccc1C 245266226 JHOCJALLQHWBON-UHFFFAOYSA-N 240.690 2.522 30 40 BFEB CCCCCCCSc1nnc(C)c(O)n1 2072303 VTGRYYQQOBDHQD-UHFFFAOYSA-N 241.360 2.948 30 40 BFEB COc1cccc(N/C(C)=C\C(C)=O)c1 4235471 SRQPAVQDBFWIJL-CLFYSBASSA-N 205.257 2.600 30 40 BFEB CC/C(C)=N/Nc1cccc([N+](=O)[O-])c1 5020019 DTIBXGAQINKVBF-DHZHZOJOSA-N 207.233 2.793 30 40 BFEB C=CCn1c(SCC)nnc1-c1ccco1 58472525 NWHGDQSQIBQXTM-UHFFFAOYSA-N 235.312 2.836 30 40 BFEB FC(F)(F)OCC(F)(F)C(F)(F)F 80636864 YTUYYFGAIBTTIE-UHFFFAOYSA-N 218.043 2.720 30 40 BFEB N#CC1(C(=O)NC2CCCCCCC2)CC1 156820740 LSWXJPJHNDAWBT-UHFFFAOYSA-N 220.316 2.519 30 40 BFEB C[Si](C)(C)C#C[C@@H](O)c1ccccc1[N+](=O)[O-] 199841678 MSHSXRHDQCGHPC-GFCCVEGCSA-N 249.342 2.509 30 40 BFEB C[Si](C)(C)C#Cc1ccn(CC(F)(F)F)n1 675032562 ZLKYFFAACCOQCM-UHFFFAOYSA-N 246.308 2.674 30 40 BFEB COc1cc([C@@H](C#N)c2ccccc2)ccc1N 1597905 ZTSPBYDIKUOLPX-ZDUSSCGKSA-N 238.290 2.933 30 40 BFEB CCOC(=O)[C@H]1C(C)=C/C(=N\O)C[C@H]1C(C)C 4551709 MMWYVGAUSFBYND-GUKYVBMTSA-N 239.315 2.618 30 40 BFEB CC(=O)/C=C/C1=C(C)CCC(=O)C1(C)C 4705575 LXKZETAGHZUBOQ-VOTSOKGWSA-N 206.285 2.837 30 40 BFEB Cn1ccnc1SCc1ccc(C#N)cc1F 11198881 HGTZWDKMNUWRAL-UHFFFAOYSA-N 247.298 2.723 30 40 BFEB CCN(C(=O)C1CC1)[C@H](C)c1ccc(C#N)cc1 58712756 GJGVNLDXTXICFU-LLVKDONJSA-N 242.322 2.878 30 40 BFEB C#Cc1cccc(NC(=O)Nc2cccnc2)c1 74454474 KQNBRZSYGLNFCN-UHFFFAOYSA-N 237.262 2.707 30 40 BFEB C=CCCC(=O)N(C)c1cc(OC)cc(OC)c1 190098641 BOQCIROASMUTTC-UHFFFAOYSA-N 249.310 2.633 30 40 BFEB N#CCCSc1nncc2ccccc12 6244154 MUOSTFPFMNJMRQ-UHFFFAOYSA-N 215.281 2.636 30 40 BFEB CN(Cc1ccccc1)[C@@H](C#N)c1ccco1 20265530 AAWDQKAWZMXPOE-ZDUSSCGKSA-N 226.279 2.976 30 40 BFEB Cc1nnc(Sc2nccs2)c(C#N)c1C 40676758 LQJMFBATYDGKQU-UHFFFAOYSA-N 248.336 2.573 30 40 BFEB C[C@H](SCc1ccccc1C#N)[C@@H](C)O 79064619 FHARQWVSXHHYCT-ZJUUUORDSA-N 221.325 2.561 30 40 BFEB CCc1ccccc1C#CC1(O)CCCC1 95632131 DQJJREWAYDWUSQ-UHFFFAOYSA-N 214.308 2.906 30 40 BFEB CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2C#N)C1 216952759 HZWUQHSOFLEGHD-MFKMUULPSA-N 236.315 2.547 30 40 BFEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cncc(F)c1 620306393 FCXPKWWEQPCSOD-BETUJISGSA-N 246.285 2.544 30 40 BFEB COc1ccccc1/C=N/N=C/c1ccco1 1709269 FJUGALZOMBNFCB-AOEKMSOUSA-N 228.251 2.741 30 40 BFEB C=CCc1c(C)[nH]c(SC)nc1=S 5433613 KOXCQIIORAVQIX-UHFFFAOYSA-N 212.343 2.898 30 40 BFEB CN1C=CCC(/C(=N\O)c2ccccc2)=C1 12416691 LUGGYJQARIFXMG-YPKPFQOOSA-N 214.268 2.598 30 40 BFEB N#Cc1ccc(NC2CCCC2)c([N+](=O)[O-])c1 16384380 OQXWPXBZLVIFOI-UHFFFAOYSA-N 231.255 2.821 30 40 BFEB O=C(O)CCCCC#Cc1ccccc1 34455406 OXPQXCWBBDMQRS-UHFFFAOYSA-N 202.253 2.683 30 40 BFEB N#Cc1ccnc(NCC2CCCCC2)c1 37259806 KZOSSNQUTWRTNJ-UHFFFAOYSA-N 215.300 2.945 30 40 BFEB C#CCSc1nnc(-c2ccc(F)cc2)o1 45951924 YEHYTWXXBHSVDE-UHFFFAOYSA-N 234.255 2.601 30 40 BFEB O=CCc1cccc(C(F)(F)F)c1F 79362748 GZFJLFFCCRITHH-UHFFFAOYSA-N 206.138 2.586 30 40 BFEB Cc1ccc([N+](=O)[O-])cc1/N=C1\CCCN1C 101690679 NTOGYQDUAAOZQB-OUKQBFOZSA-N 233.271 2.659 30 40 BFEB CCCn1c(C#N)cc(N)c1CCC(C)C 225851423 NCEFLMJAYJZENS-UHFFFAOYSA-N 219.332 2.941 30 40 BFEB O=C1O[C@]2(O[C@@H]2c2ccccc2)c2ccccc21 1633147 YQDYZPHMROBRNT-UKRRQHHQSA-N 238.242 2.781 30 40 BFEB C(=N\N1CCCCCC1)\c1cccs1 4914676 FRPQKUWSXLTFKR-BENRWUELSA-N 208.330 2.958 30 40 BFEB O/C(=N/C1CC1)c1cc(S)nc2ccccc12 7779444 COBBOATVYIUJJC-UHFFFAOYSA-N 244.319 2.991 30 40 BFEB C#C[C@H](O)c1ccc(Cl)c(Cl)c1 83052853 UCHRPTFVDWKFDF-VIFPVBQESA-N 201.052 2.660 30 40 BFEB N#Cc1ccccc1CNCc1ccccc1C#N 91362335 PPKRXBMOVMVBIW-UHFFFAOYSA-N 247.301 2.720 30 40 BFEB N#Cc1ccccc1Oc1nc(Cl)ncc1F 91654925 KHLCKYIDIOXWCW-UHFFFAOYSA-N 249.632 2.933 30 40 BFEB C=CC[C@H](O)c1ccc(OC)c(C)c1C 95727302 BENUBUDGUSNVPW-LBPRGKRZSA-N 206.285 2.922 30 40 BFEB Cc1ccccc1Oc1c(N)cc(C#N)n1C 225879083 YMICXKKMGNPINF-UHFFFAOYSA-N 227.267 2.580 30 40 BFEB C=C(Br)Cc1cccc(C(=O)O)c1 2579562 KNEFVZDLNPPIRG-UHFFFAOYSA-N 241.084 2.836 30 40 BFEB CCCn1c(C)cc(C(=O)CC#N)c1C 3278400 PCNZGXWCIJSMEC-UHFFFAOYSA-N 204.273 2.611 30 40 BFEB in-vitro C=CCNC(=S)Nc1ccc(Cl)cc1F 13683808 FPBCMALWMFNXQB-UHFFFAOYSA-N 244.722 2.952 30 40 BFEB C=C(C)CNC(=S)Nc1c(F)cccc1F 19075149 DWLOFAKDBIZAPV-UHFFFAOYSA-N 242.294 2.827 30 40 BFEB CN(C)[C@@H](C#N)c1c(F)cccc1Cl 19934587 SJDKTUGIDIZNBH-VIFPVBQESA-N 212.655 2.605 30 40 BFEB C/C(=N/O)c1nc(-c2ccccc2)[nH]c1C 32627549 HHCQSZUDZPANFZ-DHDCSXOGSA-N 215.256 2.583 30 40 BFEB Cl/N=C1/C=C/C(=N/Cl)C(Cl)=C1 104224608 IIGYYCVYWIGCPW-XHQJKKSHSA-N 209.463 2.869 30 40 BFEB C=C[C@@H](CC)OC(=O)c1cccc(C)n1 195550537 FLHYCAUVIOBMDT-JTQLQIEISA-N 205.257 2.511 30 40 BFEB ON=Cc1cc2ccccc2nc1Cl 254297148 KTZXCDZMISQMMF-UHFFFAOYSA-N 206.632 2.696 30 40 BFEB O/N=C(\Cl)c1ccc2cccnc2c1 514252410 OROAHFSUXFBZKY-RAXLEYEMSA-N 206.632 2.609 30 40 BFEB C#Cc1cccc(NC(=O)c2ccccc2)c1 169803 WIGMCCAFIFTRAT-UHFFFAOYSA-N 221.259 2.920 30 40 BFEB N#CCC(=O)c1nsc(Cl)c1Cl 806210 YXGTXJZLXVBEJK-UHFFFAOYSA-N 221.068 2.546 30 40 BFEB C=CCN1C(=O)C[C@H](C)[C@@H](CCC(C)C)C1=O 2276029 VHTNCOZQUORTAI-NWDGAFQWSA-N 237.343 2.620 30 40 BFEB C=CCNCc1ccc(Br)s1 3333278 OTPVZMZASIFZRM-UHFFFAOYSA-N 232.146 2.786 30 40 BFEB N#C[C@@H](N)c1cc(Cl)cc(Cl)c1 37404313 TUUROTCSOWXLGM-MRVPVSSYSA-N 201.056 2.517 30 40 BFEB in-vitro N#Cc1ccc(OCc2ccc(F)cc2)c(N)c1 42410772 HHFSPZDOUQPKKP-UHFFFAOYSA-N 242.253 2.859 30 40 BFEB CCC[C@@H](C)C(=O)[C@H](C#N)c1nc(C)cc(C)n1 76089991 DJJZEVCTYWJREK-SKDRFNHKSA-N 245.326 2.706 30 40 BFEB O=C1CSC(=O)/C(=C/c2cccs2)S1 225393644 ZZDJYADLEHCSQK-DAXSKMNVSA-N 242.346 2.622 30 40 BFEB Cc1ccccc1/[N+]([O-])=C/c1ccncc1 84375 RRBUHHRAPUIWJT-GDNBJRDFSA-N 212.252 2.651 30 40 BFEB CCOC(=O)N1C=Cc2ccccc2[C@H]1C#N 178027 DCPDHZLDXSZNNW-GFCCVEGCSA-N 228.251 2.694 30 40 BFEB C=CCOc1ccc(CNCCC)cc1OC 6430902 IPTYAAHSLLLRPJ-UHFFFAOYSA-N 235.327 2.760 30 40 BFEB N#CC1(C(=O)NC2CCCCC2)CCCC1 7334585 XOSWTKHQAJUJCV-UHFFFAOYSA-N 220.316 2.519 30 40 BFEB CCCCCC[C@H]1/C(=N/O)CC[C@@H]1C(=O)OC 13116003 PGALRUISDKOHMZ-UQEVHAAFSA-N 241.331 2.986 30 40 BFEB N#CCCCn1cc(C(=O)O)c2ccccc21 20074567 NSKZKRXGLNIUOX-UHFFFAOYSA-N 228.251 2.643 30 40 BFEB in-vitro C#Cc1cccc(NC(=O)/C=C/c2cccnc2)c1 40050044 XPBXKCQMXWTUBX-CMDGGOBGSA-N 248.285 2.715 30 40 BFEB CCC(=O)OCC#Cc1ccccc1CC 95632128 VIPYZQRNGFCWML-UHFFFAOYSA-N 216.280 2.554 30 40 BFEB Cl/N=C1/C=C(Cl)C=C/C1=N\Cl 104224423 BVGZZKCRZBKROR-NJWBCTSZSA-N 209.463 2.869 30 40 BFEB N#Cc1ccc(CN2C[C@H]3CCC[C@H]3C2)cc1 148083122 OSGHVQXVYRCLLR-GASCZTMLSA-N 226.323 2.790 30 40 BFEB CC(C)(O)C#Cc1cccc(Br)c1 22203170 XEDVCDSNGYBOOV-UHFFFAOYSA-N 239.112 2.572 30 40 BFEB COc1ccccc1/C=N\Nc1nccs1 31854307 XLSCDIBHOHUBPA-JYRVWZFOSA-N 233.296 2.598 30 40 BFEB C#CCSc1nc2cc(Cl)ccc2[nH]1 35167658 XJIQUKMLUKATQC-UHFFFAOYSA-N 222.700 2.942 30 40 BFEB C=C(C)CN(CC)C(=O)c1ccc(OC)cc1 57157905 GHKSZECFRUVZGI-UHFFFAOYSA-N 233.311 2.733 30 40 BFEB N#CCC1(COC(=O)c2ccsc2)CC1 76090672 RUJPTYZMXKYFMV-UHFFFAOYSA-N 221.281 2.599 30 40 BFEB N#Cc1cccc(S[C@H]2CCCC[C@H]2O)c1 93904390 YCSDBGTWRUKYCL-OLZOCXBDSA-N 233.336 2.954 30 40 BFEB C=CCNC(=S)Nc1ccc(F)c(Cl)c1 3161559 LKNKRUOYBYGNFG-UHFFFAOYSA-N 244.722 2.952 30 40 BFEB O=C1CCC/C1=C\Nc1cccc([N+](=O)[O-])c1 4678220 LLDSIEQCWAZSRW-CMDGGOBGSA-N 232.239 2.644 30 40 BFEB CCCCCNCC#Cc1ccccc1 7261210 JMBMYLXHAXGAEB-UHFFFAOYSA-N 201.313 2.818 30 40 BFEB Cc1cc(OCC#N)ccc1Br 11834456 HBUCZKRCVGVIHA-UHFFFAOYSA-N 226.073 2.660 30 40 BFEB C=C(C)CN(CC)Cc1nnc(-c2ccco2)o1 58013806 KFVFRSQTUGRAKK-UHFFFAOYSA-N 247.298 2.728 30 40 BFEB Cn1ncc2c1CC/C(=C\c1cccs1)C2=O 58192757 JALOATJUWAXXJJ-VQHVLOKHSA-N 244.319 2.694 30 40 BFEB CC(C)[C@H](O)C#Cc1ccc(Cl)c(F)c1 95633399 JRKHQXYMUAFNBD-GFCCVEGCSA-N 226.678 2.848 30 40 BFEB Cc1ccc(C#C[C@H](O)C(C)C)cc1F 95633726 WWQOUDIKIDPLKY-ZDUSSCGKSA-N 206.260 2.503 30 40 BFEB CC1(C)[C@H]2CC[C@]1(C)/C(=N/OC(=O)O)C2 100633966 OAFMMSVDHUDLTL-MJBZXSOHSA-N 211.261 2.883 30 40 BFEB N#Cc1ccc(N2CCCCC2=O)c(Cl)c1 199770153 HUCRYQWCXQVJMY-UHFFFAOYSA-N 234.686 2.729 30 40 BFEB N#CC1(c2ccccc2)CCC(=NO)CC1 227112 IHEYHDNQIOYVLT-UHFFFAOYSA-N 214.268 2.852 30 40 BFEB C[C@@H](CN(C)C)C(=O)/C=C/c1ccc(F)cc1 1607758 DDVWHTGQDYPNQO-LAHYYIKRSA-N 235.302 2.606 30 40 BFEB C=C(C)C(=O)OCCCc1ccccc1 2572005 RXXZODOCQIRRQA-UHFFFAOYSA-N 204.269 2.739 30 40 BFEB CC(C)(C)C1CCC(=Nn2cnnc2)CC1 6298151 PGROPXOCZYNKRB-UHFFFAOYSA-N 220.320 2.719 30 40 BFEB O=C(N=C(Cl)Cl)C(Cl)(Cl)Cl 6854818 KWPKURQVNTVXOM-UHFFFAOYSA-N 243.304 2.717 30 40 BFEB CC(C)N(C)/N=C(\S)Nc1ccccc1 8685726 HOKRNNUUNHOQRE-UHFFFAOYSA-N 223.345 2.640 30 40 BFEB C#Cc1cccc(NC(=O)CCc2ccco2)c1 24830607 DOBXYQZZZDQFQD-UHFFFAOYSA-N 239.274 2.832 30 40 BFEB N#Cc1ccc(N2CCC[C@H]3CCC[C@@H]32)nc1 87771288 RFKXHIMCXFETQB-OLZOCXBDSA-N 227.311 2.722 30 40 BFEB CCCC[C@H](O)C#Cc1ccc(OC)c(F)c1 95632240 MQMWGAIKWAJUKW-LBPRGKRZSA-N 236.286 2.737 30 40 BFEB C#Cc1cccc(NCc2cnn(CCC)c2)c1 97146805 YNXGAQASEBUZGF-UHFFFAOYSA-N 239.322 2.887 30 40 BFEB CC[C@@H](C)/N=C1\C(=O)Nc2ccc(C)cc21 6168183 COVXQSHMAPDHDK-SECBINFHSA-N 216.284 2.535 30 40 BFEB N#C[C@@]1(c2cccnc2)CCCCS1 38812378 ZQVNLVFPUYVJIO-LLVKDONJSA-N 204.298 2.718 30 40 BFEB Cc1c(C#N)c(N)n(CC(C)(C)C)c1C 40494794 IOOISOHFKKBZKF-UHFFFAOYSA-N 205.305 2.605 30 40 BFEB C/N=C/c1c(Cl)ncn1-c1ccccc1 69949606 KMGOCCDKPRPBON-NTUHNPAUSA-N 219.675 2.574 30 40 BFEB N#Cc1cccc(SCCn2cccn2)c1 96467336 TWJZJYQEIWIWST-UHFFFAOYSA-N 229.308 2.547 30 40 BFEB C[C@H]1CC[C@@H]1COc1cccc(C#N)c1 96526447 VZDSLOFYZRUPDF-CMPLNLGQSA-N 201.269 2.983 30 40 BFEB COC[C@H](/N=C\c1ccc(OC)cc1)C(C)C 104312089 MONVNSWGRGLHCL-BUYRESAOSA-N 235.327 2.785 30 40 BFEB Cc1cc(C)cc(Nc2ccc(C#N)nn2)c1 301837742 MXIANWQCSIBNMB-UHFFFAOYSA-N 224.267 2.709 30 40 BFEB CC(=N/O)/C(C)=N\Nc1ccccc1Cl 17109145 QDTSUZGBUVBNEC-FFNMSDODSA-N 225.679 2.978 30 40 BFEB C=CCN1CCC(NC[C@H]2CC=CCC2)CC1 95433983 RHJVZOBQRRZTMP-AWEZNQCLSA-N 234.387 2.583 30 40 BFEB CCN(CC)CC#Cc1ccc(C)cc1C 95633529 WGYYINSFWGNZCZ-UHFFFAOYSA-N 215.340 2.997 30 40 BFEB C[C@H](O)CC#Cc1ccccc1OC(F)(F)F 95633941 HXQDAEBXOTXSDO-VIFPVBQESA-N 244.212 2.708 30 40 BFEB N#Cc1cc(NC2CC=CC2)ccc1[N+](=O)[O-] 95944343 ABCXJNGSTCHTPS-UHFFFAOYSA-N 229.239 2.597 30 40 BFEB CC1=C/C(=N\Nc2ccccc2)C(=O)C=C1 100003788 YCUUKIHFSTZZIS-NTCAYCPXSA-N 212.252 2.540 30 40 BFEB in-vitro Cn1nc(C(F)(F)F)cc1C#C[Si](C)(C)C 253406940 VHMFMRKIIOXVOW-UHFFFAOYSA-N 246.308 2.668 30 40 BFEB Cc1ccc(/C(Cl)=C/C=[N+](C)C)cc1 2557618 SWIURPCROKSELY-WQLSENKSSA-N 208.712 2.918 30 40 BFEB Cc1ccc(/C=C\C(=O)[C@@H](C)CN(C)C)cc1 17142739 VLLQNQJORILGPQ-XPSMFNQNSA-N 231.339 2.775 30 40 BFEB N#Cc1cccc(Oc2ccc(N)cc2)c1 19845861 VIAKQBRLRUIQHB-UHFFFAOYSA-N 210.236 2.933 30 40 BFEB in-vitro CCCN1C(=O)CS/C1=N/c1ccccc1 61882774 FUWPDWLFMPURIO-OUKQBFOZSA-N 234.324 2.660 30 40 BFEB COC(=O)c1ccc(OCC2(C#N)CCC2)cc1 85390383 XREBJDVDZMDRRH-UHFFFAOYSA-N 245.278 2.546 30 40 BFEB CC(=O)CC[C@@H](C)/N=C\c1ccc(N(C)C)cc1 104131572 IBCQWOWDLDHXPI-COOUDCDJSA-N 246.354 2.929 30 40 BFEB CCC(=O)N1c2ccccc2[C@@H](C=O)C[C@H]1C 217550122 ZZGHAKREAKNEIN-GHMZBOCLSA-N 231.295 2.504 30 40 BFEB O=C[C@H]1CCN(CC2CC2)c2ccccc21 217550713 SICNGCLFBUCVGB-GFCCVEGCSA-N 215.296 2.589 30 40 BFEB C=CCOC(=O)C[C@@H](O)/C(=C/CCC)CC 1696890 RHAXPQPOCPMQGW-JATZPVMKSA-N 226.316 2.603 30 40 BFEB COc1ccc(O)c(/C=N/c2ccccc2O)c1 3122928 ZSKAQEGIDOMWSO-OQLLNIDSSA-N 243.262 2.857 30 40 BFEB C=CCOC(=O)[C@@H](O)c1ccc(C(C)C)cc1 5733732 BHWVAUSRJGKMEX-ZDUSSCGKSA-N 234.295 2.573 30 40 BFEB C[C@@H]1CCC[C@@H](C)N1/N=C/c1ccc(O)c(O)c1 6586377 YSLIHMORGMIAII-SCVIVROUSA-N 248.326 2.695 30 40 BFEB Cc1cc(C#N)sc1Br 75629654 LRQOLFHQTKOVQZ-UHFFFAOYSA-N 202.076 2.691 30 40 BFEB CCCCCCCCCC/C=N/NC(=N)N 100302082 YEVDMXAKGHITKL-RVDMUPIBSA-N 226.368 2.986 30 40 BFEB C=C(C)CNC(=O)Nc1ccccc1COCC 156836392 VJHBVCWYPXFSCZ-UHFFFAOYSA-N 248.326 2.921 30 40 BFEB N#Cc1nccnc1Oc1ccccc1Cl 1383024 UZMQIECJKKAWRN-UHFFFAOYSA-N 231.642 2.794 30 40 BFEB N#Cc1cccnc1Oc1ccc(F)cc1 12539537 XUBDPQAAWQSPRT-UHFFFAOYSA-N 214.199 2.885 30 40 BFEB N#Cc1ccc(OC(F)F)cc1OC(F)F 78406282 LBPIITGGZXZIRP-UHFFFAOYSA-N 235.136 2.761 30 40 BFEB CCCC[C@@H](O)C#Cc1ccc(OC)c(F)c1 95632241 MQMWGAIKWAJUKW-GFCCVEGCSA-N 236.286 2.737 30 40 BFEB Cc1cnc(NC(=O)c2ccc(C#N)cc2)s1 6790246 CBVAOCRPIJYJLF-UHFFFAOYSA-N 243.291 2.576 30 40 BFEB CCOc1cccc2[nH]cc(CC#N)c12 35635623 YVVGVKWPEQXZCM-UHFFFAOYSA-N 200.241 2.633 30 40 BFEB in-vitro C[C@H](O)CC#Cc1ccc(OC(C)(C)C)cc1 95631460 KYTAOMPGQBFPPF-LBPRGKRZSA-N 232.323 2.986 30 40 BFEB CCCC[C@H](O)C#Cc1ccc(F)cc1 95632504 VINIRCKSUHWBRM-ZDUSSCGKSA-N 206.260 2.728 30 40 BFEB COc1cccc(C(=O)/C=C/c2ccncc2)c1 164423337 OJAFYMRJTHAVAI-AATRIKPKSA-N 239.274 2.986 30 40 BFEB CCCn1c(C#N)cc(N)c1Cc1ccccc1 225851473 USKDRGKSCFQUEU-UHFFFAOYSA-N 239.322 2.943 30 40 BFEB C=C1C[C@@H]2CC[C@H](C1)N2c1nc(C)ns1 664571408 GOMXYUPAOMTXEP-AOOOYVTPSA-N 221.329 2.534 30 40 BFEB CC(=O)Nc1sc2c(c1C#N)C[C@H](C)CC2 4070043 RKWQZVUXWRIOGX-SSDOTTSWSA-N 234.324 2.703 30 40 BFEB C=C(C)CSc1nnc(-c2ccncc2)n1C 16755666 GPWBXMVDTRIWFD-UHFFFAOYSA-N 246.339 2.545 30 40 BFEB Cc1ccc(C2=NN/C(=N\C3CC3)SC2)cc1 21264519 JBKRQUPTJKSBHO-UHFFFAOYSA-N 245.351 2.554 30 40 BFEB C=C(C)CN(CC)Cc1nnsc1Cl 40473325 PPMMOATZLKLJEX-UHFFFAOYSA-N 231.752 2.590 30 40 BFEB CCCCCCCCC(=O)N1CCN[C@H](C)C1 100414670 LRELFRITRRHJRK-CYBMUJFWSA-N 240.391 2.557 30 40 BFEB N#CCC(=O)c1ccc(OCC(F)(F)F)cc1 141253329 FVKDTUICIGLDHJ-UHFFFAOYSA-N 243.184 2.724 30 40 BFEB N#C[C@]1(c2ccccc2)O[C@]1(C#N)c1ccccc1 1559028 ZPLPDZCXFNDANZ-HZPDHXFCSA-N 246.269 2.855 30 40 BFEB Clc1ccc(N/N=C/c2ccccc2)nn1 6222632 FQBCKWYSLBKCTR-MDWZMJQESA-N 232.674 2.576 30 40 BFEB CC(C)(C)c1ccc(/C=N/N2CCOCC2)cc1 16323049 SPXCKYHOADMQEW-FOWTUZBSSA-N 246.354 2.650 30 40 BFEB CCC/C=C(\CC)[C@@H]1O[C@H]1C(=O)OC(C)C 17003304 COVXIMCIMZBJSV-ALQBXHKQSA-N 226.316 2.842 30 40 BFEB CC(C)c1noc(COc2ccccc2C#N)n1 24977711 GRMDKOJWLWINCB-UHFFFAOYSA-N 243.266 2.644 30 40 BFEB Cc1cc(C(=O)OCC2(CC#N)CC2)ccc1F 76091091 KVNGEMRJNRNFRJ-UHFFFAOYSA-N 247.269 2.985 30 40 BFEB C#CCn1c(=N)sc2cc(C(C)C)ccc21 100968727 SUACCNYRLPZCIS-UHFFFAOYSA-N 230.336 2.939 30 40 BFEB C[Si](C)(C)C#C[C@H](O)c1ccccc1[N+](=O)[O-] 199841650 MSHSXRHDQCGHPC-LBPRGKRZSA-N 249.342 2.509 30 40 BFEB COc1ccc([C@H]2CC(=O)C=C(O)C2)cc1OC 404008 HHGCQGVWCGDBGO-SNVBAGLBSA-N 248.278 2.592 30 40 BFEB CCOC(=O)[C@@H]1C(C)=C/C(=N\O)C[C@@H]1C(C)C 4551712 MMWYVGAUSFBYND-ZNOAOOIOSA-N 239.315 2.618 30 40 BFEB C1=C[C@H]2/C(=N\Nc3nc4ccccc4[nH]3)C[C@H]2C1 7141498 SSDXASMVKDBABN-ALRQIQQOSA-N 238.294 2.927 30 40 BFEB Oc1ccc(/C=N/Nc2ccccc2)c(O)c1 26286000 ZNNMXRMLLZVIRS-NTEUORMPSA-N 228.251 2.544 30 40 BFEB O[C@H](C/N=C/c1ccc(F)cc1)c1ccccc1 36614629 RXHIRPCNVOSKPO-ZXMBATIKSA-N 243.281 2.978 30 40 BFEB Cc1nn(C)c(C)c1C(=O)/C=C/c1cccs1 49151617 HPLDCWXKECGKMZ-VOTSOKGWSA-N 246.335 2.995 30 40 BFEB CC1(C)[C@@H]2CC=C(Br)C(=O)[C@H]1C2 101051251 UPPAJWJACJKKNB-RNFRBKRXSA-N 229.117 2.900 30 40 BFEB O/N=C1/CCCC[C@H]1[C@H](NO)c1ccccc1 104285489 RJSSJDYQRKHLLZ-OTPJNIKWSA-N 234.299 2.727 30 40 BFEB C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C/C=C(\C)CC[C@H]12 253393411 XQVSREKNQZKAKU-OURLZOILSA-N 248.322 2.522 30 40 BFEB biogenic,in-vitro C#Cc1ccc(NC(=O)c2cccs2)cc1 4088133 RLLHRWUWVTXBLB-UHFFFAOYSA-N 227.288 2.982 30 40 BFEB C=CCNC(=S)Nc1ccc(C)cc1C 5330660 YZMQANLBLAOBSZ-UHFFFAOYSA-N 220.341 2.776 30 40 BFEB CC1=C(/C=C/C(C)=N/N=C(N)N)C(C)(C)CCC1 6591326 ZEWDNOFNNKZKDB-NXFWIZADSA-N 248.374 2.719 30 40 BFEB N#CCOc1ccc(C(F)(F)F)cc1 19616061 BCHCMLGDPHKUDZ-UHFFFAOYSA-N 201.147 2.608 30 40 BFEB N#Cc1cc(N)ccc1Oc1ccccc1 20530028 MNIAKJQVYACFRT-UHFFFAOYSA-N 210.236 2.933 30 40 BFEB in-vitro CC(C)(C)OC(=O)n1ccc2nc(C#N)ccc21 77011557 VZWMSWICLZNLGA-UHFFFAOYSA-N 243.266 2.691 30 40 BFEB C[C@@H]1C(=O)C=C2CCCC[C@@H]2[C@H]1CCC(=O)O 252516493 SURAKSVUYKMLLE-DLOVCJGASA-N 236.311 2.803 30 40 BFEB biogenic,in-vitro C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NC(C)(C)C 663236144 RLINYNKLTUWPDT-PHIMTYICSA-N 222.332 2.678 30 40 BFEB c1ccc2[nH]c(NN=C3CCCC3)nc2c1 5070695 YRIRPLDEBIOVMG-UHFFFAOYSA-N 214.272 2.905 30 40 BFEB N#Cc1nc2ccccc2cc1Br 14982516 HBLOASAMGUFRQN-UHFFFAOYSA-N 233.068 2.869 30 40 BFEB O=C(/C=C/c1ccccc1)CCN1CCCC1 16890126 OKAPPVMIGFVSQH-CMDGGOBGSA-N 229.323 2.755 30 40 BFEB CC1(C)OB(C2=C3C=CN=C3C=CC2)OC1(C)C 299803651 KSTMITQEKKBIAE-UHFFFAOYSA-N 243.115 2.843 30 40 BFEB CCCC/C=C(\C)[C@@](C)(C#N)C(=O)OC 1716507 OJHQJXCNQSAKQM-ZJNQMXKESA-N 209.289 2.826 30 40 BFEB C=C(c1ccc(OC)cc1)C(C)(C)C(=O)O 3850107 PJTMWQATEWNZNF-UHFFFAOYSA-N 220.268 2.819 30 40 BFEB biogenic C=CCn1nc(/C=C/c2ccccc2)ccc1=O 4002320 MITRWNKVEVPJNZ-CMDGGOBGSA-N 238.290 2.600 30 40 BFEB CC[C@@H]1S/C(=N/c2ccc(C)cc2)NC1=O 11638030 OAVAUMAALPKSMR-JTQLQIEISA-N 234.324 2.624 30 40 BFEB C#Cc1cccc(NCc2ccccn2)c1 19877026 KPWBRYLYTGQTTQ-UHFFFAOYSA-N 208.264 2.675 30 40 BFEB CCCc1cc(CNc2ncccc2C#N)on1 32540702 VYLMNADTWYMWMJ-UHFFFAOYSA-N 242.282 2.506 30 40 BFEB C=CCCOc1cccnc1Br 71778422 VHZNUNBUHLLDHH-UHFFFAOYSA-N 228.089 2.799 30 40 BFEB COc1ccc(N(CC#N)[C@H](C)C2CC2)cc1 71892953 KRSCORRPTDJFBK-LLVKDONJSA-N 230.311 2.824 30 40 BFEB Cc1cc(N2CCCCCC2)ncc1C#N 72223518 CKLXVHJUCNTDBL-UHFFFAOYSA-N 215.300 2.642 30 40 BFEB N#Cc1ncccc1OCc1ccccc1 82046766 FFTDQGOHNPADKU-UHFFFAOYSA-N 210.236 2.532 30 40 BFEB CC(C)(C)Oc1ccc(C#CCCCO)cc1 95631457 DCCDRDRKSWVAHN-UHFFFAOYSA-N 232.323 2.988 30 40 BFEB CC#CCOc1cccc(NC(=O)NCCC)c1 97046078 PQNYTAFNDMTODH-UHFFFAOYSA-N 246.310 2.620 30 40 BFEB CC#CCCSCC(=O)Nc1ccccc1 225691864 OSJUEEKKUMCPDQ-UHFFFAOYSA-N 233.336 2.772 30 40 BFEB COc1ccccc1/N=C/c1ccc(O)cc1O 227018 AHDFXYAZOIUGPF-OQLLNIDSSA-N 243.262 2.857 30 40 BFEB biogenic Nc1ccccc1C#Cc1ccc([N+](=O)[O-])cc1 480040 JCJSOROVNUFQFY-UHFFFAOYSA-N 238.246 2.577 30 40 BFEB OC[C@@]1(c2ccccc2)O[C@@H]1c1ccccc1 1659994 ZEVYUFMALOLWIC-CABCVRRESA-N 226.275 2.646 30 40 BFEB CSC(=S)N/N=C(/C)c1ccccc1 5503075 DAMFAIOELYWARL-FLIBITNWSA-N 224.354 2.648 30 40 BFEB COc1ccc(-c2ccc(C#N)c(S)n2)cc1 6470218 LPVDGFPBIJUBEI-UHFFFAOYSA-N 242.303 2.918 30 40 BFEB CN(C)[C@H](C#N)c1cccc(Br)c1 19934791 FRKSBMFKFOUCES-SNVBAGLBSA-N 239.116 2.575 30 40 BFEB O=C(/C=C/NCc1cccnc1)c1ccccc1 32100061 NDAMZYFNFQSOQP-CSKARUKUSA-N 238.290 2.568 30 40 BFEB Cc1nc2ccccc2n1C[C@H](C#N)CCC#N 32514632 PFGADPWOWDFCAE-LBPRGKRZSA-N 238.294 2.788 30 40 BFEB C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@]1(C)O[C@@H]21 100066683 KTEXNACQROZXEV-YZRRBWKSSA-N 248.322 2.762 30 40 BFEB biogenic,in-vitro CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CC#N 13405399 KCZNYQIXVJEFPW-UTUOFQBUSA-N 223.316 2.904 30 40 BFEB biogenic CCCC/C(C)=N\NC(=S)SC 17061335 BYFAQMCIAGQPEC-CLFYSBASSA-N 204.364 2.790 30 40 BFEB O=C(/C=C\c1ccco1)c1ccccc1O 17303441 RTGXXLFEOHIIBM-FPLPWBNLSA-N 214.220 2.881 30 40 BFEB COc1ccc(/C(C)=N\Nc2ccncc2)cc1 28467748 OVWHGQIHBSJRIE-WJDWOHSUSA-N 241.294 2.926 30 40 BFEB CC[C@@](C)(C#N)NC(=O)c1ccc2c(c1)CCC2 40357875 IIRIYJHFDVRMPW-HNNXBMFYSA-N 242.322 2.597 30 40 BFEB CN(Cc1cccc(C#N)c1)C(=O)C(C)(C)C 40498923 SVAKSMNTGKMKJV-UHFFFAOYSA-N 230.311 2.563 30 40 BFEB CCCC1CCC2(CC1)O[C@H]2C(=O)OCC 84324419 UUVNEAPZWXNHIS-AKJDGMEZSA-N 226.316 2.677 30 40 BFEB COC(=O)[C@@]1(C)O[C@]1(C)c1ccc(Cl)cc1 85657796 NHENVTFPIUKJRS-VXGBXAGGSA-N 240.686 2.517 30 40 BFEB CN(Cc1cccnc1)Cc1cc(C#N)cs1 97113586 VNAMWNSRXSUKQI-UHFFFAOYSA-N 243.335 2.647 30 40 BFEB CCCCCCCCC[C@H](O)CCO 100097283 GVEPAEOOBURRFW-LBPRGKRZSA-N 202.338 2.870 30 40 BFEB C[C@H]1[C@@H]2C[C@@H]([C@@H]1C=O)[C@H]1[C@H]3C=C[C@@H](C3)[C@H]21 103992751 IZLWCBCDUAJORE-PWLUQISCSA-N 202.297 2.526 30 40 BFEB CC(C)(C)OC(=O)N1CC(F)(F)CC[C@H]1C#N 107271507 OSRWFIBYDCGZFG-QMMMGPOBSA-N 246.257 2.545 30 40 BFEB N#CC[C@@H]1C(=O)N(CC2CCC2)c2ccccc21 218783147 FOTVFWNMCHAFKW-ZDUSSCGKSA-N 240.306 2.831 30 40 BFEB N#Cc1ccc(OC(=O)c2ccc(C#N)cc2)cc1 3360916 RFPNATHQSJSGFD-UHFFFAOYSA-N 248.241 2.649 30 40 BFEB C/C(=N\O)c1ccc(OCC(F)(F)F)cc1 19809156 CZIHLFVRBJNLMU-VGOFMYFVSA-N 233.189 2.826 30 40 BFEB in-vitro C=CCN(C)Cc1cnn(Cc2ccccc2)c1 44890621 CXWVWJZQKIBLGU-UHFFFAOYSA-N 241.338 2.549 30 40 BFEB C=CCNC(=O)Nc1ccc(OCC)cc1C 48142186 RHULCRQINVZFSU-UHFFFAOYSA-N 234.299 2.701 30 40 BFEB C=CCCC(=O)Nc1cc(C(=O)O)ccc1C 54399432 PKZPLJOSQUADKI-UHFFFAOYSA-N 233.267 2.598 30 40 BFEB Cc1c(CC#N)c(C)c(CC#N)c(C)c1CC#N 59380433 CSLAMVTZXAQVLD-UHFFFAOYSA-N 237.306 2.810 30 40 BFEB CN(/C=N/C(C)(C)C)C[Si](C)(C)C 195751455 MFQDMLNXILAMOB-DHZHZOJOSA-N 200.402 2.622 30 40 BFEB CCCCCCCCCCCn1nnnc1N 1712740 MQZOZEFGNSVGNQ-UHFFFAOYSA-N 239.367 2.786 30 40 BFEB C(=N/NC1=NCCCCC1)\c1ccccc1 3197471 FRFFJCAHKQQBKI-RVDMUPIBSA-N 215.300 2.583 30 40 BFEB C(=N/c1ccccn1)\c1n[nH]nc1-c1ccccc1 5338490 LNMSUSLGEKZVDY-MHWRWJLKSA-N 249.277 2.617 30 40 BFEB C=CCOc1ccc(Br)cc1C#N 5725852 UMIQNDMJNRSONZ-UHFFFAOYSA-N 238.084 2.886 30 40 BFEB Cc1ccc(C#C[C@](C)(O)C(C)(C)C)cn1 13144568 CJVPITOXSQRPMF-AWEZNQCLSA-N 217.312 2.539 30 40 BFEB CCN(CC)[C@@H](C#N)c1ccc(F)cc1 19934221 MYFBQCNEASUYJR-LBPRGKRZSA-N 206.264 2.732 30 40 BFEB Cc1nc(SCC(C)C)c(C#N)c(C)c1N 223701345 SWYGLTXNPYNQTG-UHFFFAOYSA-N 235.356 2.900 30 40 BFEB N#Cc1c(C2CC2)ccnc1Br 256049580 ANDFQPCHZVNTDW-UHFFFAOYSA-N 223.073 2.593 30 40 BFEB C[Si](C)(C)C#Cc1cnn(C2CCC2)c1 1857794607 DWXBXADLBIRTCR-UHFFFAOYSA-N 218.376 2.837 30 40 BFEB Cc1nn(C)c(C)c1/C=C/C(=O)C(C)(C)C 33124 MIRFYIGEETVNMM-BQYQJAHWSA-N 220.316 2.665 30 40 BFEB CCOc1ccc(NN=C2C(C)=NN=C2C)cc1 5593037 UDQXNTUJNWRZAD-UHFFFAOYSA-N 244.298 2.704 30 40 BFEB C=CCNC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 8109358 OVXWJNWLSKPLJK-LBPRGKRZSA-N 247.338 2.880 30 40 BFEB CC(C)CO[C@H](C)C(=O)Nc1cccc(C#N)c1 19847395 JTCCLXJJZUXICM-LLVKDONJSA-N 246.310 2.558 30 40 BFEB N#Cc1ccsc1NC(=O)c1ccsc1 25013521 DEBHDXHKCKCXDY-UHFFFAOYSA-N 234.305 2.934 30 40 BFEB Cc1ccc2c(c1)C(=O)/C(=C/N(C)C)CS2 29764025 LVFHXIJWSWHWCR-JXMROGBWSA-N 233.336 2.729 30 40 BFEB Cc1cc(C)cc(C#CC2(O)CCCC2)c1 95633057 AKMVYLMXWUSXAB-UHFFFAOYSA-N 214.308 2.960 30 40 BFEB C=CCn1c(S)nnc1-c1cccc(F)c1 4736549 DHLZCLYZZXGKRM-UHFFFAOYSA-N 235.287 2.559 30 40 BFEB C[C@@H](NC(=O)C#Cc1ccccc1)C(C)(C)C 20502874 RFUGJOUAMOJWBO-GFCCVEGCSA-N 229.323 2.589 30 40 BFEB N#Cc1cccc(NC(=O)/C=C/c2cccnc2)c1 40050028 NXCYBBCWXKOWHG-VOTSOKGWSA-N 249.273 2.605 30 40 BFEB FC(F)OC(F)(F)[C@@H](F)C(F)(F)F 78318460 WSIIYENBWBHASS-SFOWXEAESA-N 218.043 2.719 30 40 BFEB in-vitro C#CCOCc1cccc(Br)c1 96525809 XTMSBXYPKFMIGS-UHFFFAOYSA-N 225.085 2.599 30 40 BFEB CSc1ccc(/C(O)=C/C(C)=O)cc1 101002668 CQJJWOQQQAZRDK-XFFZJAGNSA-N 208.282 2.896 30 40 BFEB CCCc1c(C#N)c(S)[nH]c(=S)c1C#N 1561198 FIDJWCIQQASPOD-UHFFFAOYSA-N 235.337 2.729 30 40 BFEB CCO/C(=C\[S+](C)C)c1ccccc1 16951352 SUFTUWCRTPHVIY-BENRWUELSA-N 209.334 2.899 30 40 BFEB C=CCNC(=O)c1cn(CC)c2ccccc12 32784549 VIBQSIMVWSKBQW-UHFFFAOYSA-N 228.295 2.577 30 40 BFEB C=C1C(=O)O[C@@H]2[C@@H]3O[C@]3(C)CC/C=C(/C)CC[C@H]12 36532594 KTEXNACQROZXEV-PEQUNRPBSA-N 248.322 2.762 30 40 BFEB in-vitro N#Cc1cccc2c(Br)ccnc12 95863264 MQKWVLSWSZHDGR-UHFFFAOYSA-N 233.068 2.869 30 40 BFEB CC(C)(C)OC(=O)N[C@H]1CCC[C@H](S)C1 218744869 PCDOFJVVBXRUHP-IUCAKERBSA-N 231.361 2.752 30 40 BFEB N#Cc1cccn1-c1cc(C(=O)O)ccc1Cl 223742280 HLHPSVFAJRQXKA-UHFFFAOYSA-N 246.653 2.701 30 40 BFEB N#Cc1cc(N)c(Cl)n1C1CCCC1 225889993 TVKSSRZLLOZALE-UHFFFAOYSA-N 209.680 2.710 30 40 BFEB N#Cc1c(N2CCCC2=O)sc2c1CCCC2 38116 SEYROASMJZXQQG-UHFFFAOYSA-N 246.335 2.625 30 40 BFEB N#Cc1ccccc1NC(=O)c1ccccc1 513770 IQAAKQSNMORTCT-UHFFFAOYSA-N 222.247 2.811 30 40 BFEB CCCCC[C@H](C)[C@@H](C#N)C(=O)OCC 1600456 BDUQYHZTGKUVOF-WDEREUQCSA-N 211.305 2.906 30 40 BFEB CCOC(=O)/C(=C\c1cccc(C)c1)C(C)=O 5723026 ZUQVRBVENDAGKD-LCYFTJDESA-N 232.279 2.531 30 40 BFEB N#CC1(c2ccc(OC(F)F)cc2)CC1 20429394 LGCWEUNVNKMALH-UHFFFAOYSA-N 209.195 2.843 30 40 BFEB N#Cc1ccc(CSc2ccncn2)cc1 35655314 CGXUQQUNWRRDRS-UHFFFAOYSA-N 227.292 2.641 30 40 BFEB C=C(C)CN(CC)C(=O)c1ccc(COC)cc1 40487835 HHJJXMOIERHLGF-UHFFFAOYSA-N 247.338 2.871 30 40 BFEB CCOC(=O)[C@]1(CC)O[C@]12CCC[C@H](C)C2 86166018 VBLDDIDQBGIOFP-DRZSPHRISA-N 226.316 2.677 30 40 BFEB N#Cc1ccc(O)nc1-c1ccccc1Cl 96510645 CDISSFUQVIILMN-UHFFFAOYSA-N 230.654 2.979 30 40 BFEB CN(C)OC(=O)Nc1cccc2ccccc12 1737120 AMHKUUVQMWNGLI-UHFFFAOYSA-N 230.267 2.865 30 40 BFEB CCCCCCCC1=C(O)C(=O)C=C(O)C1=O 2048978 DUAKFSAYFGGZAW-UHFFFAOYSA-N 238.283 2.753 30 40 BFEB C=C(C)Cc1ccccc1C1OCCO1 43502447 LLJQZHMXRDVIHC-UHFFFAOYSA-N 204.269 2.851 30 40 BFEB C#CC[C@@H](C)NCc1csc(C(C)(C)C)n1 78932768 NPIHUFJLBAWDLT-SNVBAGLBSA-N 236.384 2.942 30 40 BFEB N#Cc1ccc(CN2C[C@@H]3CCC[C@H]3C2)c(F)c1 148071087 YDFMOVPYANVALC-STQMWFEESA-N 244.313 2.929 30 40 BFEB C=C(C)COC(=O)COc1ccc(Cl)cc1 1693811 CKAVWFIDSGRYSD-UHFFFAOYSA-N 240.686 2.838 30 40 BFEB Cc1ccc(C)c(/C=N/N/C(S)=N\C(C)C)c1 8693853 YBCONZVUKUFMEV-RIYZIHGNSA-N 249.383 2.921 30 40 BFEB CC(=O)c1cc(C#N)c(C)n1Cc1ccccc1 78404463 JSVIZTLZOVPFDQ-UHFFFAOYSA-N 238.290 2.919 30 40 BFEB Cc1cc(C#CC[C@H](C)O)ccc1Cl 95631705 MZNUBEIRBQZTGA-JTQLQIEISA-N 208.688 2.771 30 40 BFEB CCc1ccc(C#C[C@@H](O)C(C)C)cc1 95632192 MBSKZHKFSZYIMG-CQSZACIVSA-N 202.297 2.617 30 40 BFEB Cn1c(C#N)cc(N)c1Oc1ccccc1Cl 225880879 NMCFZZWACHFRSY-UHFFFAOYSA-N 247.685 2.925 30 40 BFEB O=C1CCSC/C1=C\c1ccccc1 3123062 NDCRTSMQMOOMET-DHZHZOJOSA-N 204.294 2.776 30 40 BFEB CCCCNC(=S)Nc1cccc(C#N)c1 3227977 LEZVXFZNXKYECF-UHFFFAOYSA-N 233.340 2.645 30 40 BFEB CC(=O)C(=CNc1cccc(Cl)c1)C(C)=O 4267978 WJSMFNQKVPIDAU-UHFFFAOYSA-N 237.686 2.814 30 40 BFEB biogenic CC1=[N+](CCC#N)c2ccccc2C1(C)C 5791778 HVSZHTZOSZGXCE-UHFFFAOYSA-N 213.304 2.996 30 40 BFEB CCO/C=C(\C)C(=O)C(Cl)(Cl)Cl 32301916 BGHXUMZQYBZECU-SNAWJCMRSA-N 231.506 2.866 30 40 BFEB in-vitro O/C(=N\c1ncn[nH]1)C1(c2ccccc2)CCC1 58386910 NOWWHTOAQHYSLS-UHFFFAOYSA-N 242.282 2.515 30 40 BFEB N#Cc1ccccc1/C=C/c1ccnnc1 95439366 OHVAPXTZKAHMKU-AATRIKPKSA-N 207.236 2.519 30 40 BFEB C=C(C)CCOC(=O)c1ccc2nccnc2c1 97377084 WMPBKOWBRZFWKK-UHFFFAOYSA-N 242.278 2.753 30 40 BFEB CCCOC(=O)[C@@H]1O[C@@]1(C)c1ccc(C)cc1 1733586 LCWUANUUEDYERB-JSGCOSHPSA-N 234.295 2.562 30 40 BFEB CC(C)CCOC(=O)[C@H]1O[C@@]1(C)c1ccccc1 1734150 OHUOMSSDXQOJAR-HIFRSBDPSA-N 248.322 2.890 30 40 BFEB CC(=O)c1sc(N/N=C\c2ccco2)nc1C 4482804 GDNQDFONCRMUQF-SDQBBNPISA-N 249.295 2.693 30 40 BFEB CC#CCCCC(=O)Nc1ccc(OC)cc1 6262163 ZAUZUNDONZGLAM-UHFFFAOYSA-N 231.295 2.827 30 40 BFEB COc1ccc(CC#N)c(C(C)C)c1OC 26893670 CXBFIFTXZNQXBZ-UHFFFAOYSA-N 219.284 2.893 30 40 BFEB C/C(=C\C(=O)c1cccnc1)N1CCCCC1 32100692 IMUDZFYZRQRBAS-ZRDIBKRKSA-N 230.311 2.654 30 40 BFEB C=CCCC(=O)N[C@@H](C#N)C1CCCCC1 79013320 BMDZJVHSFICYRI-LBPRGKRZSA-N 220.316 2.541 30 40 BFEB ON=Cc1ccc(C#Cc2ccccc2)cc1 254490935 KXYAPNJEVXAHOP-UHFFFAOYSA-N 221.259 2.895 30 40 BFEB CCOC(=O)Nc1ssc(=S)c1C#N 255189674 RJEMJSVZPVUILL-UHFFFAOYSA-N 246.338 2.979 30 40 BFEB CCCCC[C@@H](N)B1OC(C)(C)C(C)(C)O1 1307258392 AJMCTZBLONLMJD-SNVBAGLBSA-N 227.157 2.525 30 40 BFEB NC(=O)c1ccc(/N=C/c2cccs2)cc1 354380 DCLBERGGEJUSRJ-RIYZIHGNSA-N 230.292 2.598 30 40 BFEB CCCCC1(CC)C(C#N)(C#N)C1(C#N)C#N 1643325 DEENIIHVKAYHBP-UHFFFAOYSA-N 226.283 2.654 30 40 BFEB CCCCCNCc1cccc(C#N)c1 5973230 GQJSKTVYAFBAQS-UHFFFAOYSA-N 202.301 2.838 30 40 BFEB N#Cc1ccc(NC(=O)C[C@H]2C=CCC2)cc1 12978136 GGLBUEKVSTWEOS-NSHDSACASA-N 226.279 2.853 30 40 BFEB COc1ccc(Nc2ccc(N)cc2C#N)cc1 20135115 LLCHZXZOKSPAFB-UHFFFAOYSA-N 239.278 2.893 30 40 BFEB COc1ccccc1[C@H](C#N)C(F)(F)F 33606989 SWVVGQSOWXDMQT-QMMMGPOBSA-N 215.174 2.865 30 40 BFEB COC(=O)c1ccc2cc(CC#N)ccc2c1 44368421 JGVUAHHQZCCZFN-UHFFFAOYSA-N 225.247 2.692 30 40 BFEB Cc1ccc(C)n1-c1ccc([N+](=O)[O-])cc1C#N 59961059 PIFBRDIAXSWMLC-UHFFFAOYSA-N 241.250 2.874 30 40 BFEB CCOC(=O)[C@@]1(CC)O[C@]1(CC)C(C)C 86166025 XURXWESNUJXYDV-VXGBXAGGSA-N 214.305 2.533 30 40 BFEB C=CCn1c(=N)sc2c(C)cc(C)cc21 100968554 ZVIWQVWKVWRLLP-UHFFFAOYSA-N 218.325 2.985 30 40 BFEB O=C(O)c1ccc2c(c1)/C(=N/O)c1ccccc1-2 104972650 FDTLAQJLBUGWFY-FYWRMAATSA-N 239.230 2.592 30 40 BFEB C=CCN(Cc1cncnc1)c1ccccc1 195579116 MEAGWESMYZIEIT-UHFFFAOYSA-N 225.295 2.669 30 40 BFEB N#Cc1c(F)ccc(OC(F)(F)F)c1F 396090143 XAMIXTDSDVULAM-UHFFFAOYSA-N 223.100 2.735 30 40 BFEB ClC1(Cl)CCC[C@@]2(Cl)O[C@H]12 2164289 AIPINVBKJYKCOI-INEUFUBQSA-N 201.480 2.678 30 40 BFEB CCOC(=O)C[C@@H](/C(C)=N\O)c1ccccc1 4994080 TWIXQRGVRJUYDZ-GVIGZQTCSA-N 235.283 2.574 30 40 BFEB CCO/N=C/c1c[nH]nc1-c1cccs1 32869074 FOEAIKUEWRTBNJ-KPKJPENVSA-N 221.285 2.509 30 40 BFEB C#CCNc1cccc(C(F)(F)F)c1F 39319945 HTQPEPVAJNRPMF-UHFFFAOYSA-N 217.165 2.890 30 40 BFEB N#Cc1ccc(CNC(=O)C[C@H]2C=CCC2)cc1 40069730 QPKNTLQPJKGXQS-LBPRGKRZSA-N 240.306 2.531 30 40 BFEB Cn1cc(C(=O)/C=C/c2c(F)cccc2F)cn1 49151415 FAMDOUYEDSOEPV-AATRIKPKSA-N 248.232 2.594 30 40 BFEB Cc1nn(C)c(C)c1Oc1ccccc1C#N 88453278 CJLHFQBVEUUPRO-UHFFFAOYSA-N 227.267 2.701 30 40 BFEB C[C@](CO)(NCCCCC#N)C1CCCCC1 96420066 GRWMYIGSHKZPKC-CQSZACIVSA-N 238.375 2.601 30 40 BFEB CCn1c(C#N)cc(N)c1Cc1ccc(C)cc1 225851231 AFAQAQQQVYDUBY-UHFFFAOYSA-N 239.322 2.861 30 40 BFEB C=CCOc1ccc(NC(=O)C2(C)CC2)cc1 225930709 SWUPXVWHOOZPGI-UHFFFAOYSA-N 231.295 2.990 30 40 BFEB ON=C(Cl)c1ccccc1OC(F)(F)F 389590704 LCZKSSFWTSEFBD-UHFFFAOYSA-N 239.580 2.960 30 40 BFEB O=C1CCC/C1=C/Nc1ccccc1F 409183341 RRAYGWWAAMAZCF-HJWRWDBZSA-N 205.232 2.875 30 40 BFEB N#Cc1c2c(c(O)n3c1nc1ccccc13)CCC2 135250 IBXZFONUAXXTAY-UHFFFAOYSA-N 249.273 2.553 30 40 BFEB C/C=C/C=C/C(=O)c1ccc(OC)cc1O 1729936 NWVHMNPNVNFNFQ-VNKDHWASSA-N 218.252 2.716 30 40 BFEB Cc1ccc(S(=O)(=O)OC2CCCC2)cc1 1769423 ZWOQVPFVARFZSF-UHFFFAOYSA-N 240.324 2.643 30 40 BFEB C(=N\Nc1nc2ccccc2[nH]1)\c1ccco1 5236143 FEWRCTZTXATFKR-JYRVWZFOSA-N 226.239 2.602 30 40 BFEB C=CCOc1ccc(C(=O)NCC(C)C)cc1 8050485 AMYHMMVTLYUHLD-UHFFFAOYSA-N 233.311 2.637 30 40 BFEB O=[N+]([O-])c1ccccc1N/N=C1/C[C@H]2CC=C[C@H]12 13136596 MQGJLLGDRSSQQU-ULVWRBEMSA-N 243.266 2.959 30 40 BFEB O=C(O)/C=C\C(=O)c1ccc(Cl)c(Cl)c1 33884549 XIZWELOARFUPLO-ARJAWSKDSA-N 245.061 2.817 30 40 BFEB N#Cc1cccc(Oc2nc(Cl)ncc2F)c1 91654922 HJRSHTOEAOULKV-UHFFFAOYSA-N 249.632 2.933 30 40 BFEB CC(C)=C[C@@H]1[C@@H](C(=O)N(CC#N)C2CC2)C1(C)C 95956372 RIZTUHGISSPNID-OLZOCXBDSA-N 246.354 2.739 30 40 BFEB O=C[C@H]1C(=O)N(c2ccccc2)c2ccccc21 100353573 DBNWZEHKIYHGES-CYBMUJFWSA-N 237.258 2.647 30 40 BFEB N/C(=N\O)c1ccc(Oc2ccccc2)cc1 5873950 TUHCVZPTDBUXMQ-UHFFFAOYSA-N 228.251 2.573 30 40 BFEB C/N=C1/c2ccccc2[C@@]2(c3ccccc3)[C@@H]1N2C 16920394 QEXUUISPQMKPAE-KVQREMKRSA-N 248.329 2.677 30 40 BFEB C/C(=C\C(=O)c1ccc(Cl)cc1)N(C)C 22126599 AJTIACFETPAMMY-CMDGGOBGSA-N 223.703 2.988 30 40 BFEB COc1c(C#N)cc(C(C)C)cc1[N+](=O)[O-] 57339545 LFNFKCBAALCXOL-UHFFFAOYSA-N 220.228 2.598 30 40 BFEB C/N=C(/NCc1ccccc1)NC1CCCCC1 72271869 VOCKLDUYKBANIU-UHFFFAOYSA-N 245.370 2.684 30 40 BFEB C=C(C)Cn1nc(C2CC2)nc1C1CC1 92917626 FNKUSONVVGCQMN-UHFFFAOYSA-N 203.289 2.609 30 40 BFEB Cc1cccc2c(/C(Cl)=N/O)c[nH]c12 228915117 CNMNNOWDFUXOJH-RAXLEYEMSA-N 208.648 2.851 30 40 BFEB C=C1C[C@@H]2CC[C@H](C1)N2Cc1c(C)noc1C 662082759 XNAOTMPIYBUHSB-BETUJISGSA-N 232.327 2.974 30 40 BFEB C=CCn1c(NC(=O)CC)nc2ccccc21 305719 UKFBMQPZYMFISU-UHFFFAOYSA-N 229.283 2.571 30 40 BFEB COC(F)=C(C(F)(F)F)C(F)(F)F 2040738 FSDLLONBRLBIBL-UHFFFAOYSA-N 212.064 2.939 30 40 BFEB in-vitro Oc1ccc(/C=N/Nc2ccc(F)cc2)cc1 4933279 MUBCLCQFZDZEBA-OQLLNIDSSA-N 230.242 2.977 30 40 BFEB Cc1sc2ncnc(OCCC#N)c2c1C 8429186 YPTBFUMDBKNJGC-UHFFFAOYSA-N 233.296 2.601 30 40 BFEB COc1ccc(Cl)cc1/C=C\C=N/N(C)C 16920176 HZBWYAATRDJXJH-UJTDRFSISA-N 238.718 2.909 30 40 BFEB N#Cc1ccc(N2CCc3ccccc3C2)nc1 19483434 TYKATUWKBFVGEI-UHFFFAOYSA-N 235.290 2.516 30 40 BFEB N#Cc1cccnc1NCCc1cccs1 19483530 MANPWYVGZBRYFB-UHFFFAOYSA-N 229.308 2.669 30 40 BFEB CC[C@@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] 32533550 PXVFGXBZJHLCPZ-MRVPVSSYSA-N 219.244 2.677 30 40 BFEB O=C[C@@H]1C[C@@H]1c1ccccc1Br 75422307 QPUOVWMSNKRPBF-CBAPKCEASA-N 225.085 2.752 30 40 BFEB CCCc1c(C#N)cc(C(C)=O)n1CC 78404495 XVUHCPHCIIRLBW-UHFFFAOYSA-N 204.273 2.535 30 40 BFEB COC(=O)C#Cc1ccc(-c2ccccc2)cc1 95632831 ITOQZMPPMUFYQO-UHFFFAOYSA-N 236.270 2.878 30 40 BFEB OCCCC#Cc1ccc(Cl)c(F)c1 95633393 COMHIDUPDXWABN-UHFFFAOYSA-N 212.651 2.603 30 40 BFEB C[C@H]1c2ccc(F)cc2CCN1CCC#N 98012644 DHBJVWYBLHVWGB-JTQLQIEISA-N 218.275 2.658 30 40 BFEB COc1ccc(/N=C/C(F)(F)F)cc1 100349517 CHWGIYHMKDEQNL-AWNIVKPZSA-N 203.163 2.960 30 40 BFEB N#Cc1ccccc1C(=O)C(F)(F)Cl 306972144 VNEQKOQYFCEDKU-UHFFFAOYSA-N 215.586 2.573 30 40 BFEB C[C@@H](Nc1ncccc1C#N)c1cccc(O)c1 69657053 VCQWJQMYXNUXNL-SNVBAGLBSA-N 239.278 2.832 30 40 BFEB O=CCc1cc(C(F)(F)F)ccc1F 79387237 AHUVXAPKCCHLLA-UHFFFAOYSA-N 206.138 2.586 30 40 BFEB CC(C)(C)/N=C/c1[nH]nnc1-c1ccccc1 5292510 MZMXMWNOJDJCJS-NTEUORMPSA-N 228.299 2.689 30 40 BFEB N#Cc1ccccc1C(=O)c1ccsc1 43210290 SVJUZHDFRHFERO-UHFFFAOYSA-N 213.261 2.851 30 40 BFEB CC[C@@H](C)C(=O)c1ccc(C#N)c(F)c1 308778143 BHBMVHXZEYSTPV-MRVPVSSYSA-N 205.232 2.926 30 40 BFEB C=CCn1cc(-c2ccccc2)cc(C#N)c1=O 3133099 BSXRGPIZZGMTMF-UHFFFAOYSA-N 236.274 2.573 30 40 BFEB CCOC(=O)[C@@H]1C(C)=C/C(=N\O)C[C@H]1C(C)C 4551710 MMWYVGAUSFBYND-OOELYCGDSA-N 239.315 2.618 30 40 BFEB N#Cc1c(-c2ccccc2F)nc(=S)[nH]c1O 16739893 LVYHOTADWZMGQB-UHFFFAOYSA-N 247.254 2.523 30 40 BFEB N#Cc1ccc(F)c(CN2CCCCC2)c1 19481762 DXOCWDUCYBSOGJ-UHFFFAOYSA-N 218.275 2.683 30 40 BFEB N#Cc1cn(Cc2cccnc2)c2ccccc12 20533904 XUFYMXCAGKZSIQ-UHFFFAOYSA-N 233.274 2.956 30 40 BFEB COc1ccc(C(=O)/C=C\c2ccncc2)cc1 32066979 OHXOJKQHTRABPQ-UQCOIBPSSA-N 239.274 2.986 30 40 BFEB CCC(C#N)(CC)NC(=O)OC(C)(C)C 40359262 BNJFJTONSZBXDN-UHFFFAOYSA-N 212.293 2.593 30 40 BFEB in-vitro N#CC1(c2ccccc2Cl)CCOCC1 44268948 ROBMUWIDOPRAHG-UHFFFAOYSA-N 221.687 2.912 30 40 BFEB Cc1cc(Nc2ccccc2)ncc1/C=N/O 72223304 KMOZAKUBUKVTPJ-OQLLNIDSSA-N 227.267 2.942 30 40 BFEB N#Cc1c2ccccc2nn1-c1ccccc1 75847264 INHFFMSYWGFAIY-UHFFFAOYSA-N 219.247 2.897 30 40 BFEB Cc1cc(F)ccc1C#CC1(O)CCCC1 95632317 NOAXLXFNGSRYSV-UHFFFAOYSA-N 218.271 2.791 30 40 BFEB N#CN/C(=N\C1CCCCC1)NC1CCCCC1 4265265 VKGAWIJMCJWARD-UHFFFAOYSA-N 248.374 2.668 30 40 BFEB biogenic CCCN(CCC)C(=O)c1cccc(C#N)c1 19426422 UQHRXTGLQLBBJK-UHFFFAOYSA-N 230.311 2.820 30 40 BFEB CCCCc1ccc(-n2ncc(C#N)c2N)cc1 85397819 MBQSCNFGQPQPAX-UHFFFAOYSA-N 240.310 2.669 30 40 BFEB Cc1ccc2c(c1)[C@H](CC#N)C(=O)N2CC1CC1 218780045 OXSAZGYBJNNAST-LBPRGKRZSA-N 240.306 2.749 30 40 BFEB CC(=O)C[N+]1(CC=C(C)C)CCCCC1 5008218 BOMPOJIFBNEOOW-UHFFFAOYSA-N 210.341 2.542 30 40 BFEB CC(C)(C#N)C(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 65815299 LAWMDRVJCKJGLP-MPEURRAXSA-N 246.354 2.573 30 40 BFEB Cc1ccnc(Sc2cccc(C#N)c2)n1 95412191 RQRUJNLGVDWYLM-UHFFFAOYSA-N 227.292 2.808 30 40 BFEB CN(C)c1ccc(/C=N/N2CCCCCC2)cc1 1631183 RVOJEUDQQHLIER-DTQAZKPQSA-N 245.370 2.963 30 40 BFEB Cc1nn(C)c(Cl)c1/C=N/Nc1ccccc1 4280905 WOUXDAWKRMLKSB-RIYZIHGNSA-N 248.717 2.828 30 40 BFEB CC(=O)OCc1ccc(C#Cc2ccccc2)o1 5378756 MZJJYLQYZJPMSV-UHFFFAOYSA-N 240.258 2.743 30 40 BFEB CCNc1oc(-c2ccc(OC)cc2)nc1C#N 16742372 GVMUIGSJXXQIBF-UHFFFAOYSA-N 243.266 2.654 30 40 BFEB N#Cc1cc(-c2ccc(Br)cc2)on1 32104225 DMEUQFDZNJZJRW-UHFFFAOYSA-N 249.067 2.976 30 40 BFEB Cc1ccc(-c2[nH]c(=S)nc(N)c2C#N)cc1 33948597 VHFGQVKCHHHGJG-UHFFFAOYSA-N 242.307 2.568 30 40 BFEB N#C[C@H](N)c1cc(Cl)cc(Cl)c1 37404315 TUUROTCSOWXLGM-QMMMGPOBSA-N 201.056 2.517 30 40 BFEB in-vitro C=CCNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 53462869 PFMUWFIFGQEAQH-MNOVXSKESA-N 207.317 2.527 30 40 BFEB CCN(CC#N)Cc1ccc(Cl)c(F)c1 92399205 FDHCFTHMROBDLY-UHFFFAOYSA-N 226.682 2.825 30 40 BFEB N#Cc1ccc2nc3c(nc2c1)[C@H]1CC[C@H]3C1 217623383 BMAGCBRVXMSIOK-UWVGGRQHSA-N 221.263 2.866 30 40 BFEB CC[C@H](C)Sc1nc(N)c(C#N)c(C2CC2)n1 225893786 UVBIYLQDFFGDIP-ZETCQYMHSA-N 248.355 2.698 30 40 BFEB CCCCCCCNc1ncnc2n[nH]cc12 1718450 OYFSBIJEEGPGJS-UHFFFAOYSA-N 233.319 2.735 30 40 BFEB N/C(CSc1cccc2ccccc12)=N\O 4146463 SSNCFEGYZLRAFM-UHFFFAOYSA-N 232.308 2.678 30 40 BFEB C#CC[N+](CC)(CC)C/C=C(/C)Cl 5008228 UBQGMSUWOJQTPW-FLIBITNWSA-N 200.733 2.619 30 40 BFEB N#Cc1ccccc1OC(=O)/C=C/c1ccco1 6303558 OIYDVAGJRYZGBJ-BQYQJAHWSA-N 239.230 2.770 30 40 BFEB C=C1CSc2nnc3c4ccccc4nc-3n21 8844787 PNUSXZVIZWHVFF-UHFFFAOYSA-N 240.291 2.508 30 40 BFEB CCOC(=O)/C(F)=C(\F)c1ccc(C#N)cc1 26897074 PSUVDHJWLMGDMD-ZHACJKMWSA-N 237.205 2.729 30 40 BFEB CC(C)C(=O)[C@@H](C#N)c1ccc(F)cc1 36930915 JBQOPAWGHUOSPV-NSHDSACASA-N 205.232 2.658 30 40 BFEB C=C(Br)Cc1ccc2c(c1)OCO2 43209585 QQMSHFDVPCBVQN-UHFFFAOYSA-N 241.084 2.866 30 40 BFEB C=CCCC(=O)Nc1ccc(/C=C/C(=O)O)cc1 54399769 JAVVWZMMYFXTOP-JXMROGBWSA-N 245.278 2.689 30 40 BFEB C=CCOc1ccc(Br)cc1N 66140710 OZERBGUUWVWMLJ-UHFFFAOYSA-N 228.089 2.596 30 40 BFEB in-vitro N#Cc1cccc(Oc2nccs2)c1 68592588 ZOJXDUKZMBULRS-UHFFFAOYSA-N 202.238 2.807 30 40 BFEB in-vitro Cc1nc(NC(=O)OC(C)(C)C)sc1C#N 95348103 XDBJYBZATRIJLN-UHFFFAOYSA-N 239.300 2.670 30 40 BFEB in-vitro C#Cc1cccc(CNC(=O)OC(C)(C)C)c1 95830135 FQHVIJVBLIHZNY-UHFFFAOYSA-N 231.295 2.693 30 40 BFEB CCCCCCCCC(=O)N1CCO[C@@H](C)C1 102933316 UBXJIAOJBBLVTR-ZDUSSCGKSA-N 241.375 2.984 30 40 BFEB Cc1ccccc1COc1cnccc1C#N 585652616 PYLICNZGDHCCDN-UHFFFAOYSA-N 224.263 2.841 30 40 BFEB CCO/C=N/c1sc2c(c1C#N)CCC2 5315106 FFAUOYQUGWVXPD-NTUHNPAUSA-N 220.297 2.805 30 40 BFEB O/N=C1\[C@H]2CC[C@H](C2)[C@H]1Sc1ccccn1 5338766 DIDZHGDTOINNTQ-BOQDVZTDSA-N 234.324 2.802 30 40 BFEB COc1ccc(/C=C2/CCCC2=O)cc1 12403030 NKLZMIMNDAOSEC-LUAWRHEFSA-N 202.253 2.832 30 40 BFEB CN(C)/C=N/c1nc2ccccc2nc1Cl 12495929 XJHVKENWJQUCCR-NTUHNPAUSA-N 234.690 2.505 30 40 BFEB C=CCc1ccccc1O[C@@H]1CCCNC1 14631668 WTQHYGPQAHXXGG-CYBMUJFWSA-N 217.312 2.546 30 40 BFEB in-vitro O=C1/C(=C\c2ccco2)Oc2ccccc21 17314851 YHQBGGPEHALTKN-XYOKQWHBSA-N 212.204 2.896 30 40 BFEB CCC1=C(C)C(=O)c2ccccc2C1=O 33505718 QWIBLPIAYFAQQQ-UHFFFAOYSA-N 200.237 2.792 30 40 BFEB N#CCCCN1CCC[C@H]2CCCC[C@@H]21 35174422 HWNDORSIEYMORI-OLZOCXBDSA-N 206.333 2.945 30 40 BFEB C=C(Cl)CN(C)Cc1ccsc1 53134426 YOECIZZIIXDKRF-UHFFFAOYSA-N 201.722 2.932 30 40 BFEB CC(C)OC(=O)CSCc1cccc(C#N)c1 58237235 LCIMYXDFPBWXTF-UHFFFAOYSA-N 249.335 2.743 30 40 BFEB N#Cc1cccnc1Oc1cncc(Cl)c1 81698760 GEZWXLJWGPRWLF-UHFFFAOYSA-N 231.642 2.794 30 40 BFEB N#C[C@@H]1CCC[C@H]1NCc1ccc(Cl)nc1 216714442 KWQZBPXEJYTMPW-WDEREUQCSA-N 235.718 2.517 30 40 BFEB in-vitro O=C(C#Cc1ccccc1)COc1ccccc1 394541906 UHSRNNAMSPEJEV-UHFFFAOYSA-N 236.270 2.686 30 40 BFEB CCOC(=O)[C@@H](C#N)c1ccc(F)c(Cl)c1 1776010844 QCLORTSHECPBLE-QMMMGPOBSA-N 241.649 2.649 30 40 BFEB C=CCN1C(=O)C[C@@H](C)[C@@H](CCC(C)C)C1=O 2276030 VHTNCOZQUORTAI-VXGBXAGGSA-N 237.343 2.620 30 40 BFEB C=CCOC(=O)[C@H]1CC(C)=C[C@H](C)[C@H]1C 4803885 FRKAESKGYSBYQG-TUAOUCFPSA-N 208.301 2.954 30 40 BFEB C=C(C)CNC(=S)NNc1cc(C)cc(C)c1 7677078 MYBSBWLPCCEGBK-UHFFFAOYSA-N 249.383 2.671 30 40 BFEB Cc1ccc([C@@H](C#N)N2CCCC2)cc1 19934158 WZDRROSDRHZABV-CYBMUJFWSA-N 200.285 2.656 30 40 BFEB N#Cc1cc(N)ccc1Nc1ccccc1 20135074 AZXKKPFBNAHZEU-UHFFFAOYSA-N 209.252 2.884 30 40 BFEB CC[C@@H](C)N(C)C(=S)Nc1ccccc1C#N 54947480 BTHIZXXPDLTUOO-SNVBAGLBSA-N 247.367 2.985 30 40 BFEB COC(=O)[C@H](C#N)c1c(Cl)cccc1Cl 71624715 WBXLYMPVQDURMA-ZCFIWIBFSA-N 244.077 2.774 30 40 BFEB C=CCC[C@@H](C)OC(=O)c1cccnc1 89311815 VMWJYACRJRRWIL-SNVBAGLBSA-N 205.257 2.593 30 40 BFEB N#Cc1cccc(C(=O)COc2ccccc2)c1 90567760 RDYVYYWWEJFVEH-UHFFFAOYSA-N 237.258 2.820 30 40 BFEB C=CCOc1c(Cl)cc(F)cc1C#N 225285163 ZTEWVVPBGZPHKJ-UHFFFAOYSA-N 211.623 2.916 30 40 BFEB C[C@@]1(F)CCN(c2ccc(F)cc2C#N)C1 390834782 YQSBNXIDKOGYID-GFCCVEGCSA-N 222.238 2.636 30 40 BFEB CCSc1nc(C)c(C)c(C)c1C#N 175808 GHPVZSDBEGOCRA-UHFFFAOYSA-N 206.314 2.991 30 40 BFEB Cc1ccc(N/C=C2/CCCC2=O)c(O)c1 2220622 HCHKGXPWHGKDOG-NTMALXAHSA-N 217.268 2.749 30 40 BFEB C=C(C)CNC(=S)Nc1cccc(F)c1 6262238 LSUVDRXAVQLZJJ-UHFFFAOYSA-N 224.304 2.688 30 40 BFEB C#CCn1c([C@@H](O)CCC)nc2ccccc21 12323606 XLTADYKAIMTXQR-ZDUSSCGKSA-N 228.295 2.503 30 40 BFEB CC(=C\c1ccc([N+](=O)[O-])cc1)/C(C)=N/O 94993283 ZRYGBWPWDQTJFM-ANKZSMJWSA-N 220.228 2.848 30 40 BFEB Cc1cc(C)c(C#CCCCO)cc1C 95633892 GFWXRCKILOAZIJ-UHFFFAOYSA-N 202.297 2.736 30 40 BFEB O/N=C(\Cl)c1c[nH]c2cccc(F)c12 228913514 IZMJOLWYCIPWOM-LCYFTJDESA-N 212.611 2.682 30 40 BFEB Cc1ccc(/C=C/C(=O)[C@H](C)CN(C)C)cc1 1590725 VLLQNQJORILGPQ-WTNCMQEWSA-N 231.339 2.775 30 40 BFEB CN(C)[C@H](C#N)c1ccc(OC(F)(F)F)cc1 37354788 VFQPNRMMCAUYDH-SNVBAGLBSA-N 244.216 2.711 30 40 BFEB Cc1ccc(CCC(=O)NC[C@H](C)C#N)c(C)c1 71893480 QJVHRLBGZWLIDD-GFCCVEGCSA-N 244.338 2.512 30 40 BFEB Cc1cccc(C#CC2(O)CCCC2)c1C 95632039 SAJJMNSVCRHOPH-UHFFFAOYSA-N 214.308 2.960 30 40 BFEB C[C@H]1CC[C@@H]1COc1ccccc1C#N 96526439 IKGUADOPLFWHMY-CMPLNLGQSA-N 201.269 2.983 30 40 BFEB Cn1c(C#N)cc(N)c1Cc1cccc(Cl)c1 225850956 QBHUUWGFCAJTDX-UHFFFAOYSA-N 245.713 2.723 30 40 BFEB CCc1ccc(C#N)n1Cc1ccccc1 226022395 LVNHQROIQMIFPT-UHFFFAOYSA-N 210.280 2.970 30 40 BFEB Cc1cc([N+](=O)[O-])ccc1/N=C\c1cccn1C 409106217 MXMUEIZKOIOIKT-ZROIWOOFSA-N 243.266 2.992 30 40 BFEB Clc1ccc(/N=C2\NCCS2)cc1 13835935 DTABQBJFJXOQIQ-UHFFFAOYSA-N 212.705 2.664 30 40 BFEB O=C(/C=N/Nc1ccccc1)c1ccccc1 16891791 SGKHPUBVXODEAR-RVDMUPIBSA-N 224.263 2.967 30 40 BFEB Nc1ccc(C(=O)/C=C\c2ccccc2O)cc1 17188043 UEOFDRZQHLTIIF-YFHOEESVSA-N 239.274 2.871 30 40 BFEB COc1ccccc1Nc1ccc(N)cc1C#N 41020460 BBXUDDUPAWLODZ-UHFFFAOYSA-N 239.278 2.893 30 40 BFEB C=C(Cl)CN(C)[C@@H](CCO)c1ccccc1 75899977 GMFRAIZJHRTONK-ZDUSSCGKSA-N 239.746 2.794 30 40 BFEB Cc1nnc(SCCCCC#N)c(C#N)c1C 96004634 PJERUWATHIHHSX-UHFFFAOYSA-N 246.339 2.751 30 40 BFEB Cc1cc(OCC#N)c(F)cc1Br 1772715890 OMRIOQIHKJKLEY-UHFFFAOYSA-N 244.063 2.799 30 40 BFEB C=C1C(=O)OC(C)(C)[C@@H]1c1ccccc1 1556955 SYKAFLOVDXCZNR-NSHDSACASA-N 202.253 2.662 30 40 BFEB CC(C)(C)OC(=O)N1O[C@@H]1c1ccc(C#N)cc1 4262258 ACXPNVRTMHEHMQ-ZRKZCGFPSA-N 246.266 2.739 30 40 BFEB CCc1ccccc1C(=O)N(C)C1(C#N)CCC1 96005830 NBVGKQCXJILYOB-UHFFFAOYSA-N 242.322 2.767 30 40 BFEB Cn1c(C#N)cc(N)c1Oc1ccc(Cl)cc1 225882057 WPLQGOCFEXQINA-UHFFFAOYSA-N 247.685 2.925 30 40 BFEB CC(/C=N/n1c(C)nnc1C)=C\c1ccccc1 3141298 CBBYAPSSTJJZJA-VMPIADEKSA-N 240.310 2.832 30 40 BFEB Cc1sc2ncnc(N(C)CCC#N)c2c1C 3252706 IJGBNRRBCLLONI-UHFFFAOYSA-N 246.339 2.658 30 40 BFEB C[C@@H]1CCC[S@+](c2cc(O)ccc2O)C1 4578112 XCTARICEHHHDSF-RFAUZJTJSA-O 225.333 2.505 30 40 BFEB CCOc1ccc(C(=O)CC#N)cc1OCC 19503702 RDOLTSYVWLBBNH-UHFFFAOYSA-N 233.267 2.580 30 40 BFEB Cc1nnc(NCCC(C)(C)C)c(C#N)c1C 42103755 MXCXKYXKOJUYJL-UHFFFAOYSA-N 232.331 2.813 30 40 BFEB C[C@H]1C[C@@H](C)CN(C(=O)C2(C#N)CCCC2)C1 44300136 URIHVCRIXUZQTL-TXEJJXNPSA-N 234.343 2.575 30 40 BFEB CC(C)[C@@H](C#N)NC(=O)C[C@@H](C)C(C)(C)C 70981079 OIPWYTZJZRJUIN-GHMZBOCLSA-N 224.348 2.723 30 40 BFEB N#Cc1cnc(N2CCC23CCC3)c(Cl)c1 72312247 LGMPCOXUGSLBOS-UHFFFAOYSA-N 233.702 2.739 30 40 BFEB N#CCCOCC#CC[C@@H]1C[C@@H]2C=C[C@@H]1C2 100929382 OSKLPQFHBLIPHR-BFHYXJOUSA-N 215.296 2.522 30 40 BFEB CC(C)COC1=CC(=O)c2ccccc2C1=O 1714190 WWQAQDNZIUFRDY-UHFFFAOYSA-N 230.263 2.622 30 40 BFEB C=CCN(CC=C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 4611745 VQPSPKAMDKSVDU-YNEHKIRRSA-N 219.328 2.623 30 40 BFEB CCO[C@H]1C=C/C(=C/C#Cc2ccccc2)O1 5463110 VJVOHZIUGKFJDC-BAAYTWLHSA-N 226.275 2.871 30 40 BFEB CN(c1ccccc1)[C@@H]1/C(=N/O)[C@H]2CC[C@@H]1C2 5611322 KJGQOJWXILNTKQ-MQPBCWPUSA-N 230.311 2.752 30 40 BFEB C=CCNC(=S)Nc1cc(C)ccc1C 7522009 RGRNWDHFGQJMON-UHFFFAOYSA-N 220.341 2.776 30 40 BFEB Cc1cc(C)c(C#N)c(NC2CCCC2)n1 19796878 SUAAXXHHVWWQQU-UHFFFAOYSA-N 215.300 2.925 30 40 BFEB CC(C)CC[C@](C)(O)CNc1ncccc1C#N 71920871 ULJSZQYRBVTKHJ-AWEZNQCLSA-N 247.342 2.552 30 40 BFEB N#CC1(COc2ccc(F)cc2)CCC1 85390366 VPANZJHDFRQKHK-UHFFFAOYSA-N 205.232 2.898 30 40 BFEB CCN(CC)CC#Cc1cc(F)c(F)c(F)c1 95632756 WAERQTZERVAESO-UHFFFAOYSA-N 241.256 2.797 30 40 BFEB CNc1oc(-c2ccccc2Cl)nc1C#N 535989 XDZDENBDOGWINS-UHFFFAOYSA-N 233.658 2.908 30 40 BFEB C=CCc1ccccc1N[C@@H](C)C(=O)OCC 1575947 RNBKSEPMCDCHAT-NSHDSACASA-N 233.311 2.779 30 40 BFEB N#C/N=C1/Nc2ccccc2[C@@H](c2ccccc2)N1 5589864 QCGSIHMVYVMLCK-CQSZACIVSA-N 248.289 2.628 30 40 BFEB O/N=C1/Cc2ccccc2[C@H]1N1CCCCCC1 5903710 AGRSZECUOPIZDS-VZHUHSAUSA-N 244.338 2.990 30 40 BFEB CN(Cc1ccco1)Cc1cc(C#N)ccc1F 35126426 LILKGCGNUHISII-UHFFFAOYSA-N 244.269 2.922 30 40 BFEB N#CCC1(C#N)CCN(Cc2ccccc2)CC1 39311245 NSYOUQLPFSKISU-UHFFFAOYSA-N 239.322 2.706 30 40 BFEB CC1(C)CC(=O)C2=C(C1)O[C@@]1(O)CCC[C@H]2C1 100361394 TYKCPDBFHSJHCV-XPTSAGLGSA-N 236.311 2.539 30 40 BFEB CCC(=O)N1c2ccccc2[C@@H](C=O)C[C@@H]1C 217550042 ZZGHAKREAKNEIN-WDEREUQCSA-N 231.295 2.504 30 40 BFEB C[C@H](Nc1ccc(C#N)nn1)c1ccccc1 301827985 FXRFPWYZQZLKJW-JTQLQIEISA-N 224.267 2.521 30 40 BFEB C#CCn1cc(-c2ccc(OCC)cc2)cn1 85391438 JHQDPIPURATSEC-UHFFFAOYSA-N 226.279 2.582 30 40 BFEB Cc1ccc(C#CCCCO)cc1Cl 95631649 ZQDCZFDJBYQXLR-UHFFFAOYSA-N 208.688 2.772 30 40 BFEB COc1ccc(/C=N/c2c(C)nn(C)c2C)cc1 101536090 JQTMPACLLCKHDZ-OQLLNIDSSA-N 243.310 2.796 30 40 BFEB CCCCCCCCO[S@@](C)(=O)=S 167961104 NPAFUPIVZDJQSN-CYBMUJFWSA-N 224.391 2.655 30 40 BFEB C=CCCC(=O)Nc1ccc(O)cc1OCC 195580118 OANLMQJHOXSHKA-UHFFFAOYSA-N 235.283 2.696 30 40 BFEB C=CCSc1nnnn1-c1c(C)cccc1C 1572779 AJTHOPVYBMJMHT-UHFFFAOYSA-N 246.339 2.557 30 40 BFEB CCOP(=O)(CCCC#N)OCC 1621287 WSRSAJMZQTVHFG-UHFFFAOYSA-N 205.194 2.556 30 40 BFEB CCOC(=O)c1oc2ccc(CC#N)cc2c1C 4729111 NVSOMIJPNQUYDA-UHFFFAOYSA-N 243.262 2.984 30 40 BFEB C=CC[C@@H]1N[C@H](CC=C)Cc2c(N)cccc21 19973749 BTXLHLDPUHBVCS-ABAIWWIYSA-N 228.339 2.976 30 40 BFEB N#CCCCCOc1cccc(C=O)c1 42214151 PGLSVRRCAXZVIW-UHFFFAOYSA-N 203.241 2.572 30 40 BFEB Cc1c(Cl)cccc1NC(=O)C1(C#N)CC1 44225600 RDRJMHIYBOVEBA-UHFFFAOYSA-N 234.686 2.891 30 40 BFEB Cn1c(CC#N)nc2cc(Cl)c(Cl)cc21 76561694 XIJWRCMUXZCFRR-UHFFFAOYSA-N 240.093 2.946 30 40 BFEB CO[C@@H]1CC[C@H](O)[C@H](/C=N\c2ccccc2)C1 104255367 QZAYBARGCWFJAC-ZHEGKQEWSA-N 233.311 2.565 30 40 BFEB N#Cc1c(Br)ccc(Cl)c1O 258833739 LQKCBRKBYCTRKX-UHFFFAOYSA-N 232.464 2.680 30 40 BFEB CC(=O)c1ccc(/N=C/c2ccc[nH]2)cc1 77857 IUXOMBYJAWDHHP-OQLLNIDSSA-N 212.252 2.968 30 40 BFEB CC(C)CCOC(=O)[C@H]1O[C@]1(C)c1ccccc1 1734152 OHUOMSSDXQOJAR-UKRRQHHQSA-N 248.322 2.890 30 40 BFEB CN(C)c1oc(/C=C/c2ccccc2)nc1C#N 5216305 RQXAMIVLWHVMOX-CMDGGOBGSA-N 239.278 2.783 30 40 BFEB C=CCOC(=O)c1ccc(-c2ccc(N)cc2)o1 73640325 MYRHAVWOQCXOLM-UHFFFAOYSA-N 243.262 2.872 30 40 BFEB N#Cc1cccc([C@@H](N)CC(F)(F)F)c1 95760444 BWKQXKNXWLUPID-VIFPVBQESA-N 214.190 2.510 30 40 BFEB Cc1ccoc1C(=O)OCC1(C#N)CCCC1 97056562 USYRLIMGVPCINQ-UHFFFAOYSA-N 233.267 2.829 30 40 BFEB FC(F)(Cl)[C@](F)(Cl)C[C@H]1CO1 1681826 SWHAYLLTYQCEPK-IMJSIDKUSA-N 208.994 2.512 30 40 BFEB N/C(Cc1cccc(Oc2ccccc2)c1)=N\O 2547468 MSCFLHQJBXSALD-UHFFFAOYSA-N 242.278 2.768 30 40 BFEB C=CCNC1=Nc2ccccc2CS1 4090139 OZTWJHNYVYMVAB-UHFFFAOYSA-N 204.298 2.697 30 40 BFEB N#CCC(=O)Nc1ccc2ccccc2c1 6342705 OUBAUUGSUYCYIB-UHFFFAOYSA-N 210.236 2.692 30 40 BFEB Cc1ccc(/C=N/Nc2nc(C)cc(C)n2)cc1 12410244 CCASRPVWNMDLJA-OQLLNIDSSA-N 240.310 2.848 30 40 BFEB CC1CCN(Cc2ccc(C#N)cc2)CC1 19804663 CSHDBZOBKRBPGW-UHFFFAOYSA-N 214.312 2.790 30 40 BFEB N#Cc1ccccc1NCc1ccncc1 19921430 ZXZIARRIHQIWJL-UHFFFAOYSA-N 209.252 2.565 30 40 BFEB N#CCCn1c(C(F)(F)F)nc2ccccc21 32709508 MBVVVGGCPSPHFI-UHFFFAOYSA-N 239.200 2.969 30 40 BFEB Cc1cccc(C)c1OC1CCN(CC#N)CC1 51991530 UCEOBQWSHOOLGL-UHFFFAOYSA-N 244.338 2.670 30 40 BFEB C[C@@H](c1ccccn1)N(C)c1ncccc1C#N 78679827 WNDNCYYLDRJCSF-NSHDSACASA-N 238.294 2.546 30 40 BFEB C=C(Cl)CN(C)[C@@H](CO)c1cccc(F)c1 95396849 LMJQXIMKIYNJIY-LBPRGKRZSA-N 243.709 2.543 30 40 BFEB Cc1ccc(Cl)cc1C#CC[C@@H](C)O 95631755 GVCGCAJJEPMLGL-SNVBAGLBSA-N 208.688 2.771 30 40 BFEB C[C@]1(/[N+]([O-])=C\c2ccccc2F)CCCCC1=O 100099704 YXZNAPPRZBRYDY-KNGSKEOJSA-N 249.285 2.657 30 40 BFEB CCCC/C=C1/CC[C@@H](CN(C)C)C1=O 1618764 DGFOGZAJBWCFAR-RDQDRAATSA-N 209.333 2.644 30 40 BFEB CN(c1ccccc1)[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2 5611320 KJGQOJWXILNTKQ-UWYIXMSKSA-N 230.311 2.752 30 40 BFEB N#Cc1cccc(-c2nsc(Cl)n2)c1 43220553 GTURXLWPXXDAIQ-UHFFFAOYSA-N 221.672 2.730 30 40 BFEB CC[C@@]1(c2ccc(Cl)cc2)O[C@@H]1C(=O)OC 85657565 MMUHJHYWWDKJFA-PWSUYJOCSA-N 240.686 2.517 30 40 BFEB Cc1cc(C)c(C#CC(C)(C)O)cc1C 95633855 KOVVNIAHSSGTPD-UHFFFAOYSA-N 202.297 2.734 30 40 BFEB CCCC[C@@H]1CC(=O)C=C(C)[C@H]1C(=O)OCC 4024047 BZLBWMNDZNYHDT-DGCLKSJQSA-N 238.327 2.891 30 40 BFEB biogenic CC1(C)[C@H]2CC[C@]1(C)/C(=N/O)[C@@H]2[n+]1ccccc1 4834187 GOJSQMBDTXKYPT-SNCYWBTKSA-O 245.346 2.802 30 40 BFEB CCCCN(CC)C(=O)c1cccc(C#N)c1 19439824 MUHKIMZIEMVALF-UHFFFAOYSA-N 230.311 2.820 30 40 BFEB Cc1csc(Sc2cc(C#N)ccn2)n1 19846642 KHBBDBHIMOUMBS-UHFFFAOYSA-N 233.321 2.869 30 40 BFEB C=CC[C@H](O)c1cc(F)c(F)c(F)c1 22003216 UHCJGPSJZSWUJM-VIFPVBQESA-N 202.175 2.713 30 40 BFEB C=CCOC(=O)c1ccc2cc[nH]c2c1 38761977 HJQAXVAZJXSDFB-UHFFFAOYSA-N 201.225 2.511 30 40 BFEB N#Cc1c(F)ccc(F)c1Br 75927320 CSCGWWARITYLKM-UHFFFAOYSA-N 218.000 2.599 30 40 BFEB N#Cc1ccccc1S[C@H]1CCCC[C@@H]1O 93904202 HURCHGRSZNJGFW-AAEUAGOBSA-N 233.336 2.954 30 40 BFEB O=C1CCC(O)=C1/C=C/c1ccccc1 100238468 NBFHOZQKGPRYEC-VOTSOKGWSA-N 200.237 2.875 30 40 BFEB O/N=C1\C(c2ccccc2)=Nc2ccccc21 100369549 UNTADALETIMKJL-PEZBUJJGSA-N 222.247 2.999 30 40 BFEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N/OC(=O)O)C2 100633964 OAFMMSVDHUDLTL-AIIBGLEGSA-N 211.261 2.883 30 40 BFEB Cc1c(C)c(/C=N/O)c(C)c(C)c1/C=N/O 42573 SFEKTPODPIECNA-ACFHMISVSA-N 220.272 2.536 30 40 BFEB C/C=C(\C)[C@](C#N)(CCC)C(=O)OCC 1600412 VTSXSFDYXGOMAM-GCZGVDRJSA-N 209.289 2.826 30 40 BFEB C=CCOc1ccc2c3c(c(=O)oc2c1)CCC3 1778821 VYONXKXLYUYGJP-UHFFFAOYSA-N 242.274 2.847 30 40 BFEB biogenic CN(C)/C=C/C(=O)/C=C/C=C/c1ccccc1 2148928 UBLXAPPOEZMQTH-ZSBSVGGCSA-N 227.307 2.900 30 40 BFEB CCOC(=O)[C@H](C#N)c1cccc(Cl)c1 34226923 YRJLGZCWCQCFIC-SNVBAGLBSA-N 223.659 2.510 30 40 BFEB N#Cc1cccc(C[C@@H]2CCCC(=O)C2)c1 43210762 VTZUIYVGEBLUQM-LBPRGKRZSA-N 213.280 2.860 30 40 BFEB N#Cc1cc(Cl)nc2ccc([N+](=O)[O-])cc12 71383291 OIMXXBDBGFUZEO-UHFFFAOYSA-N 233.614 2.668 30 40 BFEB N#CC1(COc2ccc(C=O)cc2)CCC1 85390377 SGPIPBACFCAQCF-UHFFFAOYSA-N 215.252 2.572 30 40 BFEB COc1ccc2oc([C@@H](C)NCC#N)c(C)c2c1 96502749 FBDWUJLMDYAAHO-SNVBAGLBSA-N 244.294 2.924 30 40 BFEB O=C1/C(=C/c2cccnc2)Cc2c(O)cccc21 98054181 BYNQJLUOMIQJLM-YRNVUSSQSA-N 237.258 2.610 30 40 BFEB C[C@@H](C1CC1)N(CCC#N)C[C@@H]1CCC=CO1 225579905 OIOUTVUEKAZJHD-JSGCOSHPSA-N 234.343 2.693 30 40 BFEB N#Cc1cnccc1/C=C/c1ccc(O)c(F)c1 390835281 JBQYAJQNLXDXTB-HNQUOIGGSA-N 240.237 2.968 30 40 BFEB C=CCN1CCc2cc(OC)c(OC)cc2[C@H]1C 344098 IPBZWOHTYPFMTH-LLVKDONJSA-N 247.338 2.809 30 40 BFEB biogenic N#CCCSc1ncnc2ccccc12 9336218 UJMCUCQWRNPINE-UHFFFAOYSA-N 215.281 2.636 30 40 BFEB COc1ccc(N/C(C)=C\C(C)=O)cc1 18173160 JTFBNACOTNWCAK-HJWRWDBZSA-N 205.257 2.600 30 40 BFEB CN(C)/C=C1\CCc2c([nH]c3ccccc23)C1=O 29764083 WQOMNKDELFYTQR-MDZDMXLPSA-N 240.306 2.742 30 40 BFEB c1ccc2c(c1)[C@@H]1[C@@H]3C4C5[C@@]16C[C@H]1O[C@@H]1C[C@]56[C@H]2[C@H]43 104289976 QOAVIKPCPRLNQD-NEMIKEJJSA-N 248.325 2.921 30 40 BFEB O=C1CCC/C(=N/Nc2ccccc2)C1 107236220 ASBKHKGFGCNQJB-KAMYIIQDSA-N 202.257 2.598 30 40 BFEB in-vitro C#Cc1ccccc1NC(=O)c1ccccc1 144252388 IXZAZAIOAWEQIX-UHFFFAOYSA-N 221.259 2.920 30 40 BFEB C#CC[C@@H]1CN2CC[C@H]1[C@@H](c1ccccc1)C2 248160350 GMHYBUWLMCQRPO-BZUAXINKSA-N 225.335 2.745 30 40 BFEB N#Cc1cccn1Cc1ccccc1F 260032 DIBUTZQNXAARFV-UHFFFAOYSA-N 200.216 2.547 30 40 BFEB O=C(C#Cc1ccccc1)Nc1ccccc1 1737520 RVNDDFOOGMHHRS-UHFFFAOYSA-N 221.259 2.677 30 40 BFEB N#Cc1ccc(NC(=O)c2ccc(C#N)cc2)cc1 3371750 FPKHJVFTOAXWJX-UHFFFAOYSA-N 247.257 2.682 30 40 BFEB Cc1ccc(/C=N/Nc2ccccn2)s1 5553594 FIUOGEOQFLPJCI-MDWZMJQESA-N 217.297 2.898 30 40 BFEB N#Cc1ccccc1Oc1ncccc1[N+](=O)[O-] 7986033 OBGYUZOLMXOHNJ-UHFFFAOYSA-N 241.206 2.654 30 40 BFEB N#C[C@@H](NC1CCCC1)c1ccccc1 19986731 RGQSVZDPDCTCOS-CYBMUJFWSA-N 200.285 2.783 30 40 BFEB O=[N+]([O-])c1cccc(/C=N\N2CCCCCC2)c1 31659107 ZFNRWEDVQYPVDY-KAMYIIQDSA-N 247.298 2.805 30 40 BFEB C[C@@H](C#N)Sc1nnc(-c2ccccc2F)o1 4987348 WSXMNAKVOWQDJV-ZETCQYMHSA-N 249.270 2.880 30 40 BFEB CC[C@@](C)(O)C#Cc1cccc(C)c1C 95632018 RBUZFFWQMCVBSX-CQSZACIVSA-N 202.297 2.816 30 40 BFEB N#CCCOc1cc(Br)ccc1F 95738535 XJASAKJLHKPSCT-UHFFFAOYSA-N 244.063 2.881 30 40 BFEB C/C(=N/N1CCCCC1)c1ccccc1O 102647065 FAZHJHBICIYFNX-KAMYIIQDSA-N 218.300 2.602 30 40 BFEB N#Cc1c(Cl)cc(Cl)cc1[N+](=O)[O-] 139234700 KDKBYOPMHBZSKW-UHFFFAOYSA-N 217.011 2.773 30 40 BFEB Cc1n[nH]c(C)c1/N=C/c1ccccc1[N+](=O)[O-] 408975034 IWVNCKCMUKVYGM-NTUHNPAUSA-N 244.254 2.685 30 40 BFEB [N-]=[N+]=Nc1ccc2c(c1)N1CCN=C1S2 1889008722 PMVSYQGKFOLXGG-UHFFFAOYSA-N 217.257 2.910 30 40 BFEB C=CC[C@](C#N)(C(=O)OCC)/C(C)=C\C 16930614 GDDASZVCTRBTHO-XTOZHPGHSA-N 207.273 2.602 30 40 BFEB Cl/N=C1/C=CC(Cl)=C/C1=N\Cl 104224435 BVGZZKCRZBKROR-JZKFVHIFSA-N 209.463 2.869 30 40 BFEB CC(=O)C[n+]1cccc(S)c1-c1ccccc1 1579144 ZLHKJOHXYFKHDP-UHFFFAOYSA-O 244.339 2.519 30 40 BFEB N#Cc1cccc(C[C@H]2CCCC(=O)C2)c1 2514100 VTZUIYVGEBLUQM-GFCCVEGCSA-N 213.280 2.860 30 40 BFEB O=[N+]([O-])c1ccc(F)c(/N=C/c2ccc[nH]2)c1 4177936 HRLLLNZBZSLLIJ-VGOFMYFVSA-N 233.202 2.813 30 40 BFEB NC(N)=NN=C1CCCCCCCCCCC1 4343031 UQYQSGCOBNYDBF-UHFFFAOYSA-N 238.379 2.921 30 40 BFEB CC(C)CC(=O)N1c2ccccc2C=C[C@H]1C#N 4962805 DDYOVAOSGFEDIV-ZDUSSCGKSA-N 240.306 2.985 30 40 BFEB CC(=O)/C=C(/C)Nc1noc(-c2ccccc2)n1 16942859 BGZDEJIAGOIOOW-HJWRWDBZSA-N 243.266 2.641 30 40 BFEB CN(c1ccccc1/C(N)=N/O)C1CCCCC1 20075942 QNKFGSZTXSATMR-UHFFFAOYSA-N 247.342 2.550 30 40 BFEB C=CCNC(=O)CCSc1ccc(F)cc1 47871244 VQCLWTSGEMWDIA-UHFFFAOYSA-N 239.315 2.610 30 40 BFEB C=CCCC(=O)c1ccc(OC)c(OC)c1 70593422 WBNWIJWGHVABGT-UHFFFAOYSA-N 220.268 2.853 30 40 BFEB COc1ccc2ccccc2c1CC=O 82954665 XOAVYDZXOVOAJE-UHFFFAOYSA-N 200.237 2.590 30 40 BFEB O=CCc1cc(F)ccc1C(F)(F)F 95631415 RBSQCPKACITDPR-UHFFFAOYSA-N 206.138 2.586 30 40 BFEB CC(C)(C#N)c1cc(CO)cc(C(C)(C)C#N)c1 95931646 PLEAQICJSGOGID-UHFFFAOYSA-N 242.322 2.781 30 40 BFEB Cc1cnc(CSc2cccc(C#N)c2)cn1 98018968 MQSOCNPKAZFEGS-UHFFFAOYSA-N 241.319 2.949 30 40 BFEB ClC1(Cl)C[C@H]2C[C@H]1[C@H]1[C@@H]3C[C@H]([C@H]4O[C@H]34)[C@H]21 104077776 BWMSTIRGXBWAMA-FPNMOILBSA-N 245.149 2.850 30 40 BFEB C=C(C)Cc1cccc(C(=O)OCC)c1 2567486 WRSPUSPYGVMZKG-UHFFFAOYSA-N 204.269 2.982 30 40 BFEB CC(C)C(=O)[C@H](C#N)c1ccccc1F 49671533 LRVSQNSDZHNOAV-SNVBAGLBSA-N 205.232 2.658 30 40 BFEB C=C(Cl)CN(CC#N)Cc1ccccc1 69415932 KEMLPAIAMAWVDH-UHFFFAOYSA-N 220.703 2.765 30 40 BFEB C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2CC=CCC2)C1 71909771 MULZMBFIJFMVMH-VNHYZAJKSA-N 246.354 2.931 30 40 BFEB CC(C)Oc1cc(O)c(C#N)cc1Cl 72219815 RREMMWTYRFCVPE-UHFFFAOYSA-N 211.648 2.704 30 40 BFEB N#Cc1snnc1-c1ccccc1Cl 90568458 OXRDLPAZAYQTFC-UHFFFAOYSA-N 221.672 2.730 30 40 BFEB Cc1cc(Cl)ccc1C#CC(C)(C)O 95633404 CCZRUNVUEMMOFH-UHFFFAOYSA-N 208.688 2.771 30 40 BFEB CCOC(=O)c1ccc(-n2cccc2C#N)cc1 143728058 SHKPCYVJGILJHQ-UHFFFAOYSA-N 240.262 2.526 30 40 BFEB COc1ccc2ccc(OC)c(/C=N/O)c2c1 216665367 CUOPVDRXRDDKIN-RIYZIHGNSA-N 231.251 2.665 30 40 BFEB OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F 2541688 IEFIWPBZNWQFHM-UHFFFAOYSA-N 248.097 2.754 30 40 BFEB Cc1c(C#N)c(Cl)nc2c1CCCC2 4100649 NTLIOKDJTMTGAV-UHFFFAOYSA-N 206.676 2.794 30 40 BFEB N#Cc1cc2ncn(C3CCCC3)c2cc1C#N 15080726 UBVMHKHAFSASLY-UHFFFAOYSA-N 236.278 2.895 30 40 BFEB N#Cc1cccc(N/N=C2/CCn3cccc32)c1 70015498 DDLLKPLNQKAJNM-LGMDPLHJSA-N 236.278 2.580 30 40 BFEB C#CC[C@@H](NC(=O)NCCCC)c1ccccc1 89954755 UVBOXNHHSCOXLU-CQSZACIVSA-N 244.338 2.850 30 40 BFEB CC(C)c1ccc([C@H](C)CC(=O)NCC#N)cc1 96414366 UFDYIQOZQOHVQY-GFCCVEGCSA-N 244.338 2.943 30 40 BFEB CC(C)[C@@H](CCO)Nc1cccc(F)c1C#N 96427268 JQJVHEWUGFMTCL-GFCCVEGCSA-N 236.290 2.516 30 40 BFEB C/C=C\C(=O)c1cc(OC)c(C)cc1OC 100285486 PFDBIEPVJRRKLR-WAYWQWQTSA-N 220.268 2.771 30 40 BFEB C=CCNC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 8109363 OVXWJNWLSKPLJK-GFCCVEGCSA-N 247.338 2.880 30 40 BFEB O=[N+]([O-])c1ccc(OCCCCS)cc1 23115365 VJQGWLFABOSJTR-UHFFFAOYSA-N 227.285 2.684 30 40 BFEB N#CCCN1CCC[C@@H]1Cc1ccccc1 55472097 AJRLRYLKXVYRSY-CQSZACIVSA-N 214.312 2.607 30 40 BFEB CCN1/C(=C/C(C)=O)Sc2ccc(O)cc21 58626729 GCSZJMUFYOAHFY-SDQBBNPISA-N 235.308 2.755 30 40 BFEB in-vitro CCC[C@@H]1CCCN(C(=O)C(C)(C)C#N)CC1 61296654 CYULLYCHNFGBMB-GFCCVEGCSA-N 236.359 2.965 30 40 BFEB Cc1cc(N2CCc3ccccc32)ncc1C#N 72223937 WTHTXGZYPCKWHZ-UHFFFAOYSA-N 235.290 2.956 30 40 BFEB C#CCCOC(=O)C/C=C/c1ccccc1F 79148613 XMNZBSFHUZJTGB-SOFGYWHQSA-N 232.254 2.796 30 40 BFEB N#Cc1cnc2cc(C(F)(F)F)ccc2c1O 85389670 FQSYDALUENXBFB-UHFFFAOYSA-N 238.168 2.831 30 40 BFEB N#CC1(C(=O)Nc2ncccc2F)CCCCC1 96013884 KKRMKSJDNPQZDD-UHFFFAOYSA-N 247.273 2.633 30 40 BFEB CCCCCCCCO[C@H]1CCS(=O)(=O)C1 97954883 NZIVGIKQNDZMII-LBPRGKRZSA-N 248.388 2.551 30 40 BFEB Nc1ccccc1/N=C/c1ccccc1[N+](=O)[O-] 100424474 MSGQBWYVTOURRI-OQLLNIDSSA-N 241.250 2.928 30 40 BFEB CC(C)(C#CC[C@@H]1C[C@H]2C=C[C@H]1C2)OC[C@@H]1CO1 100934358 QXCQGMCSHFXREC-KBXIAJHMSA-N 246.350 2.786 30 40 BFEB N#Cc1cc2[nH]ccc2cc1Br 216007016 HDZRTSRDAYQVQJ-UHFFFAOYSA-N 221.057 2.802 30 40 BFEB C/C=C/C(=O)c1cc(F)cc(F)c1OC 308840198 YJLFNEBMXFNLSY-ONEGZZNKSA-N 212.195 2.732 30 40 BFEB CC[C@@H](C)COS(=O)(=O)c1ccc(C)cc1 6001689 HPEVJTNZYIMANV-SNVBAGLBSA-N 242.340 2.746 30 40 BFEB CC(=O)/C(Cl)=N/Nc1ccccc1C 8383119 YBRHPFGCYHUIGW-RAXLEYEMSA-N 210.664 2.548 30 40 BFEB CC1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 12983850 DEJWFBFOYLIQRA-UHFFFAOYSA-N 243.310 2.822 30 40 BFEB CC(=O)/C=C1/Nc2cc(C)cc(C)c2O1 40545924 FXINMUQXHQAZNH-WDZFZDKYSA-N 203.241 2.538 30 40 BFEB CC1CCN([C@H](C#N)c2ccco2)CC1 41212835 BLCRIRAIBJMBPZ-LLVKDONJSA-N 204.273 2.576 30 40 BFEB C=CC[C@@H](O)/C=C/c1ccccc1[N+](=O)[O-] 83302393 VNIDULDASAJSNG-ANYFNZRUSA-N 219.240 2.545 30 40 BFEB CN1C=CC=C/C1=C1/C(=O)c2ccccc2[N+]1=O 136878349 HBLWZYLLTPADAQ-OUKQBFOZSA-N 239.254 2.520 30 40 BFEB COc1cccc2c(/C(Cl)=N/O)c[nH]c12 228913956 KKQJYFAKTPTQNN-RAXLEYEMSA-N 224.647 2.551 30 40 BFEB O=c1[nH]c2ccc(/N=C/c3ccccc3)cc2[nH]1 570689 OBCVAVGTHLINHM-OQLLNIDSSA-N 237.262 2.607 30 40 BFEB C[C@H](C#N)OC(=O)c1ccc(-n2cccc2)cc1 5260992 SWTKUTBLHVVLPZ-LLVKDONJSA-N 240.262 2.546 30 40 BFEB OCCC/N=C/c1cc(Cl)cc(Cl)c1O 17379690 LJZJKIUPWHYTIS-AWNIVKPZSA-N 248.109 2.500 30 40 BFEB N#Cc1ccc(NCc2ccccc2F)nc1 19488294 QEGLAJPECQHANH-UHFFFAOYSA-N 227.242 2.704 30 40 BFEB CCCN(CCC#N)C(=O)Nc1ccccc1 19691476 MZNYXIAPMCZEFZ-UHFFFAOYSA-N 231.299 2.844 30 40 BFEB CCNc1oc(-c2ccc(C)cc2)nc1C#N 27023919 DMVRZOWCDOQJQV-UHFFFAOYSA-N 227.267 2.954 30 40 BFEB CCCCN(C)C(=O)Nc1ccc(C#N)cc1 32779370 IYYIZEIDAZCOAY-UHFFFAOYSA-N 231.299 2.822 30 40 BFEB C=C1C(=O)O[C@@H]2C3=C(C)CCC=C3CC[C@@H]12 40867239 FIHLJIPQLBSNMM-AAEUAGOBSA-N 216.280 2.915 30 40 BFEB N#Cc1cccnc1Sc1ccc(N)cc1 42143706 UODGQJKMSMHVDP-UHFFFAOYSA-N 227.292 2.687 30 40 BFEB COc1ccc(F)cc1CS[C@H](C)C#N 71862863 HHXWOBHCRUUPKV-MRVPVSSYSA-N 225.288 2.980 30 40 BFEB Cc1cc(Cl)c(C(=O)NC2(C#N)CC2)cc1C 97080322 HUNSNGGNVPQMBV-UHFFFAOYSA-N 248.713 2.743 30 40 BFEB N#CCCC(=O)c1cccc(Br)c1 2392777 VBCZDOXEUMMZLF-UHFFFAOYSA-N 238.084 2.936 30 40 BFEB C=C1CC/C=C(/CO)C(=O)C[C@@H]2[C@@H]1CC2(C)C 13483054 GVUHIWDAWNDBKR-RLLAQXBXSA-N 234.339 2.877 30 40 BFEB biogenic,in-vitro C=C(Br)CCCC1OCCCO1 38813454 FRFHOGHIPUPVNU-UHFFFAOYSA-N 235.121 2.828 30 40 BFEB N#CCNC(=O)c1sccc1-c1ccccc1 58210413 PKEWXIDMTVIINK-UHFFFAOYSA-N 242.303 2.668 30 40 BFEB Cc1csc(C(C)(C)NCCCCC#N)n1 72663002 XBGNRIKPCCIQDH-UHFFFAOYSA-N 237.372 2.970 30 40 BFEB ON=Cc1ccc(F)c(C(F)(F)F)c1 257350834 ALVPYOMTFBJWKK-UHFFFAOYSA-N 207.126 2.653 30 40 BFEB N#Cc1cc(C(F)(F)F)c(F)cc1F 2382336 SUNCYHLMIDQZRY-UHFFFAOYSA-N 207.101 2.855 30 40 BFEB C#Cc1cccc(NC(=O)c2cccc(C#N)c2)c1 12881183 XVTPCQGNXMTYMR-UHFFFAOYSA-N 246.269 2.792 30 40 BFEB N#Cc1ccc(Cl)cc1NC1CCOCC1 36954216 CGGPCPASTXDYOR-UHFFFAOYSA-N 236.702 2.803 30 40 BFEB CC(C)(C)[C@H](O)CNc1ccc(C#N)cc1F 71900442 XCHNDSSSEYYDBI-GFCCVEGCSA-N 236.290 2.516 30 40 BFEB FCCCOC(F)(F)[C@@H](F)C(F)(F)F 72265687 CNWHQAFZRKHOBL-BYPYZUCNSA-N 228.107 2.856 30 40 BFEB C=C[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 72481971 HTSGDNSFEXHTTF-ZJUUUORDSA-N 211.305 2.866 30 40 BFEB N#C[C@H]1CCC[C@H]1NCC1(C2CC2)CCC1 95462857 VVRJSYSEOLGPFP-DGCLKSJQSA-N 218.344 2.849 30 40 BFEB N#Cc1ccc(C2CC2)nc1Br 98179559 BFAWGPCKUGNEST-UHFFFAOYSA-N 223.073 2.593 30 40 BFEB CCOc1cccc(C#N)c1OCC(C)C 225289774 KBAIWYNAYVSABW-UHFFFAOYSA-N 219.284 2.992 30 40 BFEB CN1CCS/C1=C/C=N\c1ccccc1 4502080 PTROZTUDAJIDBT-GUFPOKFQSA-N 218.325 2.909 30 40 BFEB S=c1ccc(N/N=C/[C@@H]2CC=CCC2)n[nH]1 4550465 ZBKRQMRJUJPBJW-YXYQAXARSA-N 234.328 2.893 30 40 BFEB CC(C)(C)OC(=O)N[C@@H](C=O)C1CCCCC1 12504387 BDSGOSWEKUGHOV-NSHDSACASA-N 241.331 2.659 30 40 BFEB O=C(O)/C=C/C(=O)c1cc(Cl)ccc1Cl 36179835 OSXZKWDCPWCICT-ONEGZZNKSA-N 245.061 2.817 30 40 BFEB Cc1ccc2cc(C(=O)N[C@@H](C)CC#N)[nH]c2c1 69538314 QPAKGBZUJAGVKA-JTQLQIEISA-N 241.294 2.508 30 40 BFEB Cc1cccc(OCC2(C#N)CCOCC2)c1 85390521 NMIPTMCAQWAYKB-UHFFFAOYSA-N 231.295 2.694 30 40 BFEB CCc1ccc(C(=O)OCC2(CC#N)CC2)o1 96442775 JJBOFYXTDVMQSX-UHFFFAOYSA-N 233.267 2.693 30 40 BFEB O=C(O)CC12C[C@@H]3C[C@H](CC(S)(C3)C1)C2 100493670 CHSPPLSPXOFYII-CRRMYELQSA-N 226.341 2.730 30 40 BFEB N#CCOC(=O)c1ccc(-c2ccc(F)cc2)o1 21499254 IBPLXXBFARCUFG-UHFFFAOYSA-N 245.209 2.766 30 40 BFEB CCCc1ccc(C(=O)N[C@@H](C#N)CC)cc1 69369213 HTZFXBRSTRFCFX-CYBMUJFWSA-N 230.311 2.671 30 40 BFEB CC(C)N(CCC#N)C(=O)/C=C/c1ccccc1 69517504 WILHRBJWLKTBRG-MDZDMXLPSA-N 242.322 2.850 30 40 BFEB FC(F)(F)c1ccccc1C[C@@H]1CO1 82164463 MMFCMICIKUOWGM-MRVPVSSYSA-N 202.175 2.647 30 40 BFEB in-vitro N#Cc1ccc(-c2ccc(Cl)nn2)cc1 1437383 PXZYQWCHWCOZAL-UHFFFAOYSA-N 215.643 2.669 30 40 BFEB CCOC(=O)[C@H]1OC12CCC(C(C)C)CC2 84324547 MPZSBSMSWILYPK-QWKFWESOSA-N 226.316 2.533 30 40 BFEB CCCCCCCNCc1cnc(NC)nc1 103596189 IFLLCISUJSUDME-UHFFFAOYSA-N 236.363 2.578 30 40 BFEB N#Cc1ccc(N2CCCCC2=O)cc1Cl 199754238 TYMUOOQFUMLPAW-UHFFFAOYSA-N 234.686 2.729 30 40 BFEB N#Cc1cccn1-c1ccc(Cl)c(C(=O)O)c1 223742368 YSGADWQJDZIKDS-UHFFFAOYSA-N 246.653 2.701 30 40 BFEB C=C(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4042182 XFBCTBKCFIJLSQ-UHFFFAOYSA-N 240.646 2.763 30 40 BFEB COc1ccccc1/C(C)=N/Nc1ccccn1 5693936 PHRYTASZFLMOPR-LFIBNONCSA-N 241.294 2.926 30 40 BFEB COc1ccc(CC#N)cc1C(F)(F)F 38529714 DJRVULCEMUTQLB-UHFFFAOYSA-N 215.174 2.780 30 40 BFEB N#Cc1ccc(N[C@@H]2C[C@H]2c2ccccc2)nc1 44416853 IWLNXDMOVXQCDA-UONOGXRCSA-N 235.290 2.921 30 40 BFEB CC(C)(C)[C@@H](O)CNc1ccc(C#N)cc1F 71900443 XCHNDSSSEYYDBI-LBPRGKRZSA-N 236.290 2.516 30 40 BFEB CN(C(=O)C1(C#N)CCCCC1)c1nccs1 72030153 UXITZZYIGGIVTD-UHFFFAOYSA-N 249.339 2.580 30 40 BFEB CC(C)/C=C\C(=O)c1ccc([N+](=O)[O-])cc1 213568413 UQQBBTJUQXNNQV-BAQGIRSFSA-N 219.240 2.990 30 40 BFEB N#CCCN(C(=O)c1ccco1)c1ccccc1 1787744 TXTQIMXSZMHSPS-UHFFFAOYSA-N 240.262 2.840 30 40 BFEB C=CCNC(=O)c1cc(Cl)c(O)c(Cl)c1 3445551 NPROGUUNOQJPFB-UHFFFAOYSA-N 246.093 2.615 30 40 BFEB C=C(CN(C)C)C(=O)c1ccc(C)cc1C 61860580 QXLQZLBNPTZMRK-UHFFFAOYSA-N 217.312 2.604 30 40 BFEB C/C(Cc1ccccc1Br)=N\O 100090791 BMAOTQUDOBIXCO-YRNVUSSQSA-N 228.089 2.842 30 40 BFEB CCCOc1ccc(Br)c(C#N)n1 141704345 UFFOUKJNJMOBJY-UHFFFAOYSA-N 241.088 2.505 30 40 BFEB Cc1cccc(Cn2c(C#N)cc(N)c2C)c1 225855832 GGZZQVWSNHAGOH-UHFFFAOYSA-N 225.295 2.607 30 40 BFEB CC(C)Cn1c(C#N)cc(N)c1OC(C)(C)C 225875269 HOPSIAXAFPZNDC-UHFFFAOYSA-N 235.331 2.775 30 40 BFEB C/C(=N\NC(=S)NCc1ccccc1)C(C)C 5020140 BOMUBHLCAMNYGD-RVDMUPIBSA-N 249.383 2.683 30 40 BFEB C[C@H](C#N)OC(=O)c1cc2ccccc2cc1O 5079305 VCZGBPKHBROZEH-SECBINFHSA-N 241.246 2.614 30 40 BFEB N#Cc1c(-c2cccc(Cl)c2)cc[nH]c1=O 41256710 NHVOCPWAMIRSHU-UHFFFAOYSA-N 230.654 2.567 30 40 BFEB O=CCc1ccc(OC(F)(F)F)c(Cl)c1 95631413 KJINHPUTYBMDNM-UHFFFAOYSA-N 238.592 2.980 30 40 BFEB N#Cc1ccc([C@@H](N)CC(F)(F)F)cc1 95672275 ONLNFAILJGPUGB-VIFPVBQESA-N 214.190 2.510 30 40 BFEB COc1ccc(/N=C/c2ccc[nH]2)cc1 100004854 OBFWVPAWQMRFAA-NTEUORMPSA-N 200.241 2.774 30 40 BFEB CCCC(=O)C1=C(S)CC(C)(C)CC1=O 102942710 GEFNFMDDLCPDHR-UHFFFAOYSA-N 226.341 2.929 30 40 BFEB CCCCc1nn([C@@H](C)CC)c(N)c1C#N 225832603 JZVSRBFABHCHOH-VIFPVBQESA-N 220.320 2.651 30 40 BFEB COc1ccc(N=CC(F)(F)F)cc1 255003840 CHWGIYHMKDEQNL-UHFFFAOYSA-N 203.163 2.960 30 40 BFEB O/N=C1/CCCCCC[C@@H]1N1CCCC1 5612824 FNTSLCJAGSRJQM-KLDSGFLGSA-N 210.321 2.635 30 40 BFEB CC[C@H]1CCCCN1C(=O)c1ccc(C#N)cc1 12978840 OTZVWBJAJAMNIC-AWEZNQCLSA-N 242.322 2.963 30 40 BFEB C#Cc1cccc(NC(=O)c2ccsc2)c1 15544875 DINSUOQXEVJVPY-UHFFFAOYSA-N 227.288 2.982 30 40 BFEB COC(=O)c1ccc(/C=N/c2ccncc2)cc1 16194169 HDZOGUVOLBDFEC-MHWRWJLKSA-N 240.262 2.619 30 40 BFEB C=CC[C@@](C#N)(C(=O)OCC)/C(C)=C\C 16930610 GDDASZVCTRBTHO-GYGFLDJKSA-N 207.273 2.602 30 40 BFEB N#CC1(N2CCCCC2)Cc2ccccc2C1 37374899 OTEIRZKSCWXGDQ-UHFFFAOYSA-N 226.323 2.533 30 40 BFEB C[C@@H](CC#N)Nc1nc(-c2ccccc2)ns1 97096918 XXBVOIDTISPKEU-VIFPVBQESA-N 244.323 2.919 30 40 BFEB CC(C)c1ccc([C@H]2CNC[C@H]2C#N)cc1 409422458 GCGWYBFXZBZMLB-ZIAGYGMSSA-N 214.312 2.637 30 40 BFEB C(=C/c1ccccc1)\C=N\[n+]1ccccc1 3193866 XWLZBJJCQLXFBR-UNRYZTPYSA-N 209.272 2.521 30 40 BFEB Cn1ccnc1SCc1ccc(C#N)cc1 5359596 PMTBNPAWOKTDBM-UHFFFAOYSA-N 229.308 2.584 30 40 BFEB O=C[C@H]1C[C@H]1c1ccc(Br)cc1 71621227 NLMMXUBXFPXMCD-SCZZXKLOSA-N 225.085 2.752 30 40 BFEB COc1ccc(F)cc1CSCCC#N 71862846 JFIFFSGXJJBEIJ-UHFFFAOYSA-N 225.288 2.981 30 40 BFEB Cc1nc(NCc2ccccc2)ccc1/C=N/O 72224400 UDPUJNXZDFRXQL-MHWRWJLKSA-N 241.294 2.810 30 40 BFEB CCCCC[C@@H]1/C(=N\O)CC[C@@H]1CC(=O)OC 100742293 NMOXUEJWSISUMP-BBMDBWOGSA-N 241.331 2.986 30 40 BFEB biogenic Cl/N=C1/C=CC(Cl)=C/C1=N/Cl 104224428 BVGZZKCRZBKROR-IEESQIRDSA-N 209.463 2.869 30 40 BFEB CC(C)(C)[S@](=O)/N=C/c1ccc(Cl)o1 306164307 SHUMMWQUPDOXAR-MUAYPFOZSA-N 233.720 2.814 30 40 BFEB C#Cc1ccc(Oc2ccncc2C#N)cc1 685937784 REINKJDIGUJSMI-UHFFFAOYSA-N 220.231 2.727 30 40 BFEB N#Cc1cc(Cc2ccccc2)ccc1O 30714706 IBNAMPJZARWKMS-UHFFFAOYSA-N 209.248 2.855 30 40 BFEB N#Cc1cccc(CNC(=O)C[C@H]2C=CCC2)c1 45214729 UHENKOBSBQHHQM-LBPRGKRZSA-N 240.306 2.531 30 40 BFEB C=C(Cl)COc1cc(Cl)ccc1C(N)=O 49462276 XSMFUDJQUKGKNR-UHFFFAOYSA-N 246.093 2.570 30 40 BFEB CN(CC#N)CCCOc1cccc(Cl)c1 52458097 RTQXDRHFMWTBCG-UHFFFAOYSA-N 238.718 2.564 30 40 BFEB CCN(CCCC#N)C[C@@H](O)c1ccc(C)cc1 76015789 UKUMRCOILPLEAK-OAHLLOKOSA-N 246.354 2.654 30 40 BFEB CCOC(=O)[C@H]1O[C@@]1(C)c1ccccc1Cl 85657669 JMUOTVUSPPPEHO-PWSUYJOCSA-N 240.686 2.517 30 40 BFEB C[C@@H]1CC[C@H]1COc1ccccc1C#N 96526441 IKGUADOPLFWHMY-PWSUYJOCSA-N 201.269 2.983 30 40 BFEB C[Si](C)(C)CN(CC#N)Cc1ccccc1 195759092 MIAHSUODJNPFGX-UHFFFAOYSA-N 232.403 2.890 30 40 BFEB Cc1cc(C#N)c(C)n1-c1ccc(C#N)cc1 223713964 HARXFFMMVBMRDG-UHFFFAOYSA-N 221.263 2.838 30 40 BFEB C=CCN(CC=C)Cc1cc(C=O)ccc1OC 2537763 PHNVBPBQXYWFQS-UHFFFAOYSA-N 245.322 2.682 30 40 BFEB C[C@H]1CCC[S@@+](c2cc(O)ccc2O)C1 4578115 XCTARICEHHHDSF-VFZGTOFNSA-O 225.333 2.505 30 40 BFEB C=C(C)CNC(=S)NCCCCCC 6264049 IDYQVHPKFSSEFX-UHFFFAOYSA-N 214.378 2.607 30 40 BFEB O=C(NCC#Cc1ccccc1)c1cccs1 12873114 SBDWNQSTOMYWNJ-UHFFFAOYSA-N 241.315 2.530 30 40 BFEB N#CCC(=O)c1cc2ccccc2s1 42431930 JBFQOOFQRGZKRF-UHFFFAOYSA-N 201.250 2.998 30 40 BFEB in-vitro O=C1C=C(Br)c2ccccc21 141089040 WEQUSKSQUOPDPY-UHFFFAOYSA-N 209.042 2.619 30 40 BFEB Cc1nc2cc(Cl)c(C#N)cc2nc1C 225732477 GAFARGYDBPQREG-UHFFFAOYSA-N 217.659 2.772 30 40 BFEB CC[C@H](CN)C(F)(F)C(F)(F)C(F)(F)F 1700668 WQFBZQWBHJSFSD-SCSAIBSYSA-N 241.150 2.804 30 40 BFEB C#CCOc1ccc(Cc2ccc(O)cc2)cc1 3843498 TVWWQNBNQNGZAE-UHFFFAOYSA-N 238.286 2.995 30 40 BFEB biogenic C[C@@H](C#N)Sc1nnc(-c2ccccc2)o1 5021147 YBDKVZSSCHHCTP-QMMMGPOBSA-N 231.280 2.741 30 40 BFEB C[C@H](C#N)Sc1nc(-c2ccccc2F)n[nH]1 5677556 QIBDWGGTUFETIY-SSDOTTSWSA-N 248.286 2.615 30 40 BFEB N#Cc1ccsc1NC(=O)[C@@H]1CC=CCC1 6881579 YLKIHSFDEKOUOI-SECBINFHSA-N 232.308 2.915 30 40 BFEB COc1ccc(/C=C/C(O)=C\C(C)=O)cc1 16138754 YFAQXWZQFFGKOD-QXSAOOQGSA-N 218.252 2.739 30 40 BFEB CC(C)(C)OC(=O)N1CCCC[C@H]1CCC=O 38237475 UEYNLICYWSBRIO-NSHDSACASA-N 241.331 2.755 30 40 BFEB N#CC1(c2ccc(C(F)(F)F)cn2)CC1 95094267 HXRXYXGOCCFNIU-UHFFFAOYSA-N 212.174 2.656 30 40 BFEB CC(C)(C)COS(=O)OCC(C)(C)C 1680008 MGOYUTRDTAWHOZ-UHFFFAOYSA-N 222.350 2.691 30 40 BFEB in-vitro N#CCSc1ccc2ccccc2n1 32537672 CNTLSWVUTPULTC-UHFFFAOYSA-N 200.266 2.850 30 40 BFEB C#Cc1cccc(NC(=O)C[C@H]2C=CCC2)c1 41636841 DCVSOXXISVVAJU-ZDUSSCGKSA-N 225.291 2.963 30 40 BFEB Cc1ccccc1C(=O)N(CC#N)C1CCCC1 57533921 FIOHKNHNEHBMPB-UHFFFAOYSA-N 242.322 2.903 30 40 BFEB C=C(C)CCOC(=O)c1scnc1Cl 96442856 WPOPXDSSEKUWJN-UHFFFAOYSA-N 231.704 2.920 30 40 BFEB N#Cc1c(Cl)nc([C@@H]2CCCO2)c2c1CCC2 96509701 DHGOTVHAAADQEC-NSHDSACASA-N 248.713 2.947 30 40 BFEB COc1ccc([C@H]2C[C@H]2/C(C)=N/O)cc1 100926824 ZGVGXXXPBAOTHH-ZSEQQEGFSA-N 205.257 2.649 30 40 BFEB C=CC[C@@H](C)NC(=O)N1CCCC1(C)C 193876541 NONDIHFPIITJLK-SNVBAGLBSA-N 210.321 2.535 30 40 BFEB CCCCn1c(C#N)cc(N)c1N1CCCCC1 225865103 HHCZCRSXTBELAC-UHFFFAOYSA-N 246.358 2.732 30 40 BFEB C=C1CCCN(Cc2nc3ccccc3[nH]2)C1 575606139 CSEWJXFUUAEAJC-UHFFFAOYSA-N 227.311 2.715 30 40 BFEB N#C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)O 585656344 XELAKGFOSHQOKP-SSDOTTSWSA-N 244.077 2.760 30 40 BFEB C=C1C[C@@H]2CC[C@H](C1)N2c1ncccc1C#N 596528429 UHKSBNLKUWBQAO-BETUJISGSA-N 225.295 2.641 30 40 BFEB COC(=O)c1cc(C#N)c2ccn(C3CC3)c2c1 1903938720 XSZWVOBNBULGDO-UHFFFAOYSA-N 240.262 2.634 30 40 BFEB Cc1c(-c2ccccc2F)[nH]c(N)c1C#N 21886 KVDWOQGDMAEJLM-UHFFFAOYSA-N 215.231 2.583 30 40 BFEB in-vitro Cc1ccc(N/N=C/c2cccnc2)cc1 4923877 LVLMOIZXPFEMPZ-XNTDXEJSSA-N 211.268 2.836 30 40 BFEB O=C1C[C@H]2c3ccccc3CCN2C2=C1CCC2 6576113 WQRMZIBMSVMMID-HNNXBMFYSA-N 239.318 2.997 30 40 BFEB CCOC(=O)C/C(C)=N/c1ccccc1F 100452809 PHPVDMZLLKOYRG-NTEUORMPSA-N 223.247 2.871 30 40 BFEB C=CCO[C@H]1[C@H]2CC[C@H]1N(Cc1ccc(C)o1)C2 248119062 UJSAINBGISMLJO-CFVMTHIKSA-N 247.338 2.753 30 40 BFEB CC(C)(/C=N/Nc1nc2ccccc2s1)CO 336996 PDWCAZZDSICVEE-NTUHNPAUSA-N 249.339 2.713 30 40 BFEB S=c1ccc(N/N=C/[C@H]2CC=CCC2)n[nH]1 4550464 ZBKRQMRJUJPBJW-KWINOFQJSA-N 234.328 2.893 30 40 BFEB CC[C@@H](C)/C(=N\O)c1cc(C)ccc1O 5467624 HKFMGQOAQVHCFQ-TWLKNAOBSA-N 207.273 2.925 30 40 BFEB C[C@@H]1Cc2c(sc(N)c2C#N)[C@@H](C)C1 32231834 PXDPPMHKUSRDCG-BQBZGAKWSA-N 206.314 2.888 30 40 BFEB CCOC(=O)[C@H](C#N)c1ccc(F)cc1Cl 44197836 ITRUPXBREIUZMZ-SECBINFHSA-N 241.649 2.649 30 40 BFEB C[C@H](C1CC1)N(CCC#N)C(=O)C1CCCC1 69520421 AVLIEFOCVCBBQF-LLVKDONJSA-N 234.343 2.717 30 40 BFEB CC[C@](C)(O)C#Cc1ccc(Cl)c(F)c1 95633359 BEVPMIGGFBJKKN-LBPRGKRZSA-N 226.678 2.992 30 40 BFEB COCC#CCN1CC[C@H](C)C[C@@H]1c1ccco1 107593167 CMVJSFPNAKVAMC-UONOGXRCSA-N 247.338 2.702 30 40 BFEB O=C1C=C(Br)C[C@@H](C(F)(F)F)C1 225756814 YEWWSZOZLQPPSH-SCSAIBSYSA-N 243.022 2.807 30 40 BFEB CCCn1c(C#N)cc(N)c1OC(C)(C)C 225875204 DRTUHZWMYWSBAA-UHFFFAOYSA-N 221.304 2.529 30 40 BFEB Cc1ccc(-c2cnc(Cl)c(C#N)n2)cc1 575424155 WFRCHBSOVBOURU-UHFFFAOYSA-N 229.670 2.977 30 40 BFEB CCC[C@]1(C(=O)OCC)OC12CCCCC2 2046212 YSVKANOHBGCUAI-CYBMUJFWSA-N 226.316 2.822 30 40 BFEB N#C/N=C1/Nc2ccccc2[C@H](c2ccccc2)N1 5589896 QCGSIHMVYVMLCK-AWEZNQCLSA-N 248.289 2.628 30 40 BFEB CC[C@](C)(O)C#Cc1ccc(F)c(Cl)c1 95632851 CQFORFHHPOICPW-LBPRGKRZSA-N 226.678 2.992 30 40 BFEB Cc1nn(C)cc1/C=C1\Cc2ccccc2C1=O 96118979 BURBUAQSFCPHEW-XYOKQWHBSA-N 238.290 2.551 30 40 BFEB CC(=O)/C=C/[C@H]1C(C)(C)CC[C@H]2O[C@]12C 100002844 ODMUHAHUBCUABS-CTAHZRIMSA-N 208.301 2.725 30 40 BFEB C(=N/OCc1ccccc1)\c1ccncc1 1693237 DUCOZYAQYJSURU-XNTDXEJSSA-N 212.252 2.632 30 40 BFEB COc1cc(O)c2c(c1)CC[C@@]21C=CC(=O)CC1 6017662 MVYJADZNMQXLJB-HNNXBMFYSA-N 244.290 2.504 30 40 BFEB biogenic CC(C)=CC(=O)Nc1sccc1C#N 40049319 AVPWJBNBWZTKIB-UHFFFAOYSA-N 206.270 2.524 30 40 BFEB CC(C)(C)[C@@H](Sc1cccc(C#N)c1)C(N)=O 96006611 LCPOOPGZDMTLNO-NSHDSACASA-N 248.351 2.550 30 40 BFEB C=CCN(CC=C)C(=O)[C@@H](C)c1ccccc1 96319180 IOFUBYRUMJCNPL-ZDUSSCGKSA-N 229.323 2.991 30 40 BFEB Cc1nnc(SCC2CCC2)c(C#N)c1C 96500549 SAYDUYHEEFPFFB-UHFFFAOYSA-N 233.340 2.857 30 40 BFEB CC(C)(C)OC(=O)N1CC(F)(F)CC[C@@H]1C#N 107271504 OSRWFIBYDCGZFG-MRVPVSSYSA-N 246.257 2.545 30 40 BFEB COc1ccc(/N=C\c2cccn2C)cc1 409098764 PFHBVEKWPQZFIX-UVTDQMKNSA-N 214.268 2.784 30 40 BFEB Cc1ccc(C)c(/N=C(\O)c2cc[n+](C)cc2)c1 347348 WHPVJYFVOWHZTH-UHFFFAOYSA-O 241.314 2.764 30 40 BFEB O=C(/C=C/Sc1ncccn1)c1ccccc1 2389202 SMGIFEXFJHJCLJ-JXMROGBWSA-N 242.303 2.965 30 40 BFEB O/C(=N\c1ncn[nH]1)[C@H]1CCCc2ccccc21 23140712 FXKORUSEAUIXHH-NSHDSACASA-N 242.282 2.513 30 40 BFEB N#C[C@@H](c1ccccn1)c1ccccc1F 32012668 FAXGMCWXNSTNQI-LLVKDONJSA-N 212.227 2.876 30 40 BFEB CCOC(=O)[C@]1(CC)O[C@]12CCCC[C@@H]2C 86166064 WSNIIJKJHOFXAE-DRZSPHRISA-N 226.316 2.677 30 40 BFEB COC(=O)[C@](C)(C#N)Cc1ccccc1Cl 94993275 IHZFAQXCAFVLSO-LBPRGKRZSA-N 237.686 2.585 30 40 BFEB CCCC[C@@H](O)C#Cc1ccc(F)cc1 95632505 VINIRCKSUHWBRM-CYBMUJFWSA-N 206.260 2.728 30 40 BFEB C/C(Cl)=N/OC(=O)Nc1cccc(F)c1 102099785 JOCATTCFNOHYOP-MLPAPPSSSA-N 230.626 2.946 30 40 BFEB CSc1ccc(/C=N\C(=N)SN)cc1C 104178986 IETGXDBZDSAJMN-HUHDIDNOSA-N 239.369 2.677 30 40 BFEB N#CC1(c2ncccc2Br)CCC1 306721267 HVPFJVIERXFPBX-UHFFFAOYSA-N 237.100 2.789 30 40 BFEB CCOC(=O)[C@H](C#N)C(C)(C)Cc1ccccc1 1670920 LOWMDATZYUGOFX-ZDUSSCGKSA-N 245.322 2.958 30 40 BFEB CC(C)(C)OC(=O)N[C@H](C=O)C1CCCCC1 2047360 BDSGOSWEKUGHOV-LLVKDONJSA-N 241.331 2.659 30 40 BFEB in-vivo C/N=C(\S)N/N=C(\C)c1ccc(Cl)s1 8685352 BAAWUZZXACHEIK-VZUCSPMQSA-N 247.776 2.631 30 40 BFEB O=[N+]([O-])c1ccc(/N=C/[C@H]2CCC=CO2)cc1 17302673 YVNSLTWZBTYCNC-AUWXEVLLSA-N 232.239 2.990 30 40 BFEB CC1CCC(NC(=O)c2cccc(C#N)c2)CC1 19485064 RQKRJHZKRAQUAU-UHFFFAOYSA-N 242.322 2.867 30 40 BFEB N#Cc1ccc(N2CCCCCC2)cc1 19867444 GRIDHYKVSWOBHE-UHFFFAOYSA-N 200.285 2.939 30 40 BFEB in-vitro C=CCNC(=O)Nc1sc(C)c(C)c1C#N 24566300 XPBFWAFOBXFBNM-UHFFFAOYSA-N 235.312 2.544 30 40 BFEB Cc1noc(CSc2cccc(C#N)c2)n1 89721200 SCQSEHYQACLNDW-UHFFFAOYSA-N 231.280 2.542 30 40 BFEB CN(C1CCCCC1)[C@@H]1CCC/C1=N/O 100986904 LSVQQNQRKHLAMM-NPRUJURCSA-N 210.321 2.634 30 40 BFEB C[C@]1(CCC(=O)O)[C@@H]2CC[C@@]1(C)/C(=N/O)C2 109561043 JNIZOMYFBBJLFI-QQZGSKAPSA-N 225.288 2.508 30 40 BFEB O=C(/C=C/NCc1ccc(F)cc1)c1ccco1 409181907 GQMUFDJGKFYTJM-BQYQJAHWSA-N 245.253 2.905 30 40 BFEB C=CCC1=C(C)[C@@H](OC(=O)C=C(C)C)CC1=O 2042317 KOQJNCZDVLZJIM-ZDUSSCGKSA-N 234.295 2.730 30 40 BFEB Cc1ccc(N(CCC#N)CCC#N)cc1 16292589 PJOTXMHESXUPBD-UHFFFAOYSA-N 213.284 2.629 30 40 BFEB CC[C@H](C)/N=C1\C(=O)Nc2ccc(C)cc21 17143646 COVXQSHMAPDHDK-VIFPVBQESA-N 216.284 2.535 30 40 BFEB CNc1nccc(-c2ccccc2)c1C#N 20405312 PZHPWJCIWBFNHN-UHFFFAOYSA-N 209.252 2.662 30 40 BFEB Cc1nnc(NC(C2CC2)C2CC2)c(C#N)c1C 29453411 SPTBSGORRJLBBI-UHFFFAOYSA-N 242.326 2.566 30 40 BFEB N#Cc1ccc(NCc2cc(F)cc(F)c2)nc1 30517231 LBBVWPDENAVZKA-UHFFFAOYSA-N 245.232 2.844 30 40 BFEB CC/C=C(\C)C(=O)Nc1cccc(C#N)c1 47665986 TXLDPHSGSZABGW-BJMVGYQFSA-N 214.268 2.853 30 40 BFEB O=C1CCCC/C1=N\Nc1ccc([N+](=O)[O-])cc1 100479664 LTGSLBNCOXOGEC-SDNWHVSQSA-N 247.254 2.506 30 40 BFEB CC1(C)CCCN(CCc2ccncc2)[C@H]1C#N 277617144 AACAGSFGCNILFC-AWEZNQCLSA-N 243.354 2.638 30 40 BFEB COc1ccc(O)c(/C=N/c2nccs2)c1 529415 WOUUVMSHQLGHPS-NTUHNPAUSA-N 234.280 2.608 30 40 BFEB Cc1nc2sc(C#N)c(N)c2c2c1CCCC2 549032 YIQFKXXUIGWLPB-UHFFFAOYSA-N 243.335 2.937 30 40 BFEB aggregator CCCCCCCCC[C@@](C)(O)C(=O)O 2046522 PDCBURVZZNAAPE-GFCCVEGCSA-N 216.321 2.963 30 40 BFEB O=C(C/C=N/O)Nc1ccc(Cl)cc1Cl 5248762 LNEJWOHRGOGZFI-UUILKARUSA-N 247.081 2.782 30 40 BFEB C[C@@H](N)[C@@H](C#N)/N=N/c1ccccc1Cl 5532594 SDTSNYVMCFDKPY-YLJNCZAZSA-N 222.679 2.663 30 40 BFEB N#CCCN1CCC[C@H]1CCc1ccccc1 51422977 ZSBRWALASFPDHA-HNNXBMFYSA-N 228.339 2.997 30 40 BFEB CCO[C@@H](C)OCC#Cc1cc(C)cc(F)c1 95632251 ICQDYNWFMGSYHF-GFCCVEGCSA-N 236.286 2.885 30 40 BFEB NC(=S)N/N=C1/CCCCC12CCCCC2 104080545 HPGXMMWQPDCHHP-UVTDQMKNSA-N 239.388 2.700 30 40 BFEB N#Cc1cccc2c1[C@@H]1[C@H]3[C@H]4C=C[C@H]4[C@H]2[C@@H]31 104286255 SPIAMXPAJFUTRW-YPMQNCMRSA-N 205.260 2.801 30 40 BFEB CS[C@@H]1CCC[C@H]1N(C)CCCCC#N 107584902 LWKZJABMWPGPEN-VXGBXAGGSA-N 226.389 2.896 30 40 BFEB C=CCNc1ncnc(Cl)c1-n1cccc1 217468279 FVSZHFURINIDFM-UHFFFAOYSA-N 234.690 2.519 30 40 BFEB N#Cc1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1 223739706 ZIUCNZCRODKMBP-UHFFFAOYSA-N 247.641 2.911 30 40 BFEB C=CCCC(=O)N1[C@H]2CC[C@H]1CC(=C)C2 620310196 JCOYBPTYGNSCLG-RYUDHWBXSA-N 205.301 2.662 30 40 BFEB C=CCN(C(=O)[C@@H]1C[C@@H]1C)c1ccccc1 71186269 SUHYTVGQTVCYTK-WCQYABFASA-N 215.296 2.862 30 40 BFEB C[C@]12CC[C@H](C/C1=N\O)[C@@]2(C)CCC(=O)O 72207273 JNIZOMYFBBJLFI-AXIIVPSUSA-N 225.288 2.508 30 40 BFEB C(=N/Nc1nc2ccccc2s1)\[C@H]1CCOC1 84603520 FISFFPZUTSJSBV-MRACZJACSA-N 247.323 2.731 30 40 BFEB CN(C)CC#Cc1cc(Cl)cc(Cl)c1 95632916 LNPGMHJGTZMYIX-UHFFFAOYSA-N 228.122 2.907 30 40 BFEB CCCc1c(C#N)c(Cl)nc2c1COCC2 96511121 JJHQWXQVAZSCBI-UHFFFAOYSA-N 236.702 2.632 30 40 BFEB CC[C@@H](C)n1c(C#N)cc(N)c1OC(C)C 225874759 AUYSUCCXZKQWNO-SECBINFHSA-N 221.304 2.700 30 40 BFEB C[C@H]1CC2=C(C(=O)c3ccccc3C2=O)[C@H](C)O1 1592903 IQCSFOBYTJBFFN-IUCAKERBSA-N 242.274 2.560 30 40 BFEB C=C(C)CNC(=S)Nc1ccc(F)c(F)c1 7571431 KNJWPUSBALWPNM-UHFFFAOYSA-N 242.294 2.827 30 40 BFEB C=CCNC(=O)N[C@H](C)c1cc2ccccc2o1 10035466 HINADZSZIXCJCT-SNVBAGLBSA-N 244.294 2.979 30 40 BFEB Cn1cc(/C=C/C(=O)c2cccc(Cl)c2)cn1 12878939 PFKXSKVIJGDYBL-AATRIKPKSA-N 246.697 2.970 30 40 BFEB CSc1[nH]c(=O)c(-c2cccs2)cc1C#N 16248719 DVWKNZRDDPMWSF-UHFFFAOYSA-N 248.332 2.697 30 40 BFEB N#Cc1ccc(C(=O)N2CCCCCCC2)cc1 20265966 MQUCXQVUUDIQPZ-UHFFFAOYSA-N 242.322 2.965 30 40 BFEB C=CCOc1ccc(F)c(Cl)c1CO 96024922 SSKYARXTAFHJBE-UHFFFAOYSA-N 216.639 2.536 30 40 BFEB N#CCC1(COC(=O)c2cccs2)CC1 96442778 QCNAEUFXVWTARX-UHFFFAOYSA-N 221.281 2.599 30 40 BFEB CCCCCCCCNCc1cnc(N)nc1 103596116 BLNSEOHJFKMAOL-UHFFFAOYSA-N 236.363 2.509 30 40 BFEB CCc1c(N)cc(C#N)n1Cc1ccccc1F 225854570 VRVVTKYNZFBMDE-UHFFFAOYSA-N 243.285 2.692 30 40 BFEB C/C=C/C(=O)c1cc(OC)c(C)cc1OC 56959 PFDBIEPVJRRKLR-AATRIKPKSA-N 220.268 2.771 30 40 BFEB C[C@H](C#N)Cn1nc(C(F)(F)F)cc1C1CC1 4290996 USVNBIIDBLDFJY-SSDOTTSWSA-N 243.232 2.939 30 40 BFEB C[C@@H]1CCCCN1C(=O)Nc1cccc(C#N)c1 40526276 YRCIRJSJMGYZPI-LLVKDONJSA-N 243.310 2.965 30 40 BFEB CC1(C)/C(=N/O)[C@@]2(Br)CC[C@@H]1C2 85385388 PCCIVERFSVHDBB-YZOWWCITSA-N 232.121 2.790 30 40 BFEB C=CCCC(=O)N1[C@H]2CC[C@H]1CC(SC)C2 217636012 UDLSWMFJZHDPPE-QWRGUYRKSA-N 239.384 2.838 30 40 BFEB CNc1ccc(N2CCCC[C@@H]2C)c(C#N)c1 226280069 VKLUZZIDNNXGHJ-NSHDSACASA-N 229.327 2.979 30 40 BFEB CCCCOCCC/N=C1\CCCCCN1 2641791 RLMCOZGWWRRTPQ-UHFFFAOYSA-N 226.364 2.755 30 40 BFEB N#Cc1cccc(NC2=CC(=O)CCC2)c1 4235209 CIVRRSWBJMCMGV-UHFFFAOYSA-N 212.252 2.607 30 40 BFEB biogenic N#C[C@H]1C[C@@H]2C[C@H]1[C@@H]1N=NN(c3ccccc3)[C@H]21 4705769 YUFTVWIQXATJBM-NBUWXKEQSA-N 238.294 2.791 30 40 BFEB N#Cc1ccc(NC(=O)N2CCCC2)cc1Cl 40526455 YIFJXFLEYQTCOU-UHFFFAOYSA-N 249.701 2.839 30 40 BFEB O/N=C1C(=N/O)\c2ccccc2-c2ccccc2\1 101481768 CFZZKFOEDDHUAM-VMNXYWKNSA-N 238.246 2.724 30 40 BFEB CCN(CCCCC#N)c1cccc(O)c1 191574953 UFWOBAQXSULLCY-UHFFFAOYSA-N 218.300 2.912 30 40 BFEB C=CCOc1cccc(/C=C2\N=C(C)OC2=O)c1 4631329 SNYJMIWBEVKJPI-LCYFTJDESA-N 243.262 2.568 30 40 BFEB Cc1cc(C)c(C#[N+][O-])c(C)c1C#[N+][O-] 4933565 YZHOPEMIKZYPJE-UHFFFAOYSA-N 202.213 2.969 30 40 BFEB C[C@@H]1CC(=O)C=C(Nc2ccccc2N)C1 5211721 JZXYJTMLUYLYID-VIFPVBQESA-N 216.284 2.564 30 40 BFEB CC(C)(C)c1noc(-c2ccc(C#N)cc2)n1 32911330 XJCNCHBSTYIKSH-UHFFFAOYSA-N 227.267 2.906 30 40 BFEB C#Cc1cccc(N[C@H](C)C2CCN(C)CC2)c1 37208537 CRFVMPMYNYBTIQ-CYBMUJFWSA-N 242.366 2.810 30 40 BFEB Cc1cc(C#N)ccc1N1CC[C@H](C)C1 40724865 NARAHNAVWNUYDQ-JTQLQIEISA-N 200.285 2.713 30 40 BFEB in-vitro N#Cc1cccc(Cl)c1NCC1(O)CCC1 74749310 OYUQYSHNCAHJII-UHFFFAOYSA-N 236.702 2.539 30 40 BFEB C=CCNC(=O)c1cc(C)c(C)cc1C 74951560 NQDRPTCOBXLCLR-UHFFFAOYSA-N 203.285 2.528 30 40 BFEB CC(C)=C[C@@H]1[C@H](C(=O)N(CC#N)C2CC2)C1(C)C 95956370 RIZTUHGISSPNID-CHWSQXEVSA-N 246.354 2.739 30 40 BFEB O=C(O)/C=C/C(=O)c1ccc2ccccc2c1 155062 BMCVUHWZFQWKRR-BQYQJAHWSA-N 226.231 2.663 30 40 BFEB Oc1ccccc1/C=N/c1ccc2c(c1)OCO2 571324 ZRWLSUGRXCOFBJ-OVCLIPMQSA-N 241.246 2.872 30 40 BFEB N#Cc1cc(C(=O)c2ccc(Cl)cc2)c[nH]1 1385665 GOKYFCKCUKHXKE-UHFFFAOYSA-N 230.654 2.771 30 40 BFEB Cc1cc(Cl)ccc1[C@@H](S)C(=O)O 4362794 IMQXZNCGDOEWNI-MRVPVSSYSA-N 216.689 2.704 30 40 BFEB Cc1ccc(/N=C2/N[C@@H](C)CS2)cc1 27525960 UNIYJRWJVNDTSA-VIFPVBQESA-N 206.314 2.707 30 40 BFEB CCOc1ccc(C#N)cc1C(F)(F)F 71867334 GQHVMIHFKJWGPT-UHFFFAOYSA-N 215.174 2.976 30 40 BFEB N#Cc1cnn(C[C@@H]2C[C@@H]2c2ccccc2)c1 95093966 BVSIYCHIUJLXPR-UONOGXRCSA-N 223.279 2.558 30 40 BFEB CCCC#Cc1cc(OC)cc(OC)c1 95631986 YLINHSHEGCJHNP-UHFFFAOYSA-N 204.269 2.855 30 40 BFEB N#CCCOCC#CC[C@H]1C[C@@H]2C=C[C@@H]1C2 100929381 OSKLPQFHBLIPHR-MELADBBJSA-N 215.296 2.522 30 40 BFEB CCCC/N=C\C(Cl)(Cl)C(=O)OCC 104259830 XMRKEKYCPSNAPK-GHXNOFRVSA-N 240.130 2.594 30 40 BFEB Cc1ccc(C)c(NC(=O)C2(C#N)CC2)c1 156824058 DWELSDXYBYIGMH-UHFFFAOYSA-N 214.268 2.546 30 40 BFEB C=CCn1c(C#N)cc(N)c1CCC(C)C 225853373 RDXRGLBOHCYZID-UHFFFAOYSA-N 217.316 2.717 30 40 BFEB CC(C)CSc1nc(N)c(C#N)c(C2CC2)n1 225893810 OEPIKRMLTBKJIK-UHFFFAOYSA-N 248.355 2.556 30 40 BFEB CCCCC[C@@]1(C(=O)OCC)OC1(C)C 1589690 WMLKUPXOPBTQPQ-LBPRGKRZSA-N 214.305 2.677 30 40 BFEB CCOC(=O)/N=C/c1ccc(Cl)cc1 2510988 IWDQNLGTAIHREZ-KPKJPENVSA-N 211.648 2.915 30 40 BFEB NC1=N/C(=N\c2ccc(F)cc2)c2ccccc21 5731777 ZMTAZNALQHNNRR-UHFFFAOYSA-N 239.253 2.623 30 40 BFEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/O)o1 20352852 RRYXSBCITFBBIL-NTUHNPAUSA-N 246.222 2.971 30 40 BFEB CC(C)C(=O)[C@@H](C#N)c1cccc(F)c1 36931245 HKDWOJDHMAOQPG-NSHDSACASA-N 205.232 2.658 30 40 BFEB N#C[C@@H](F)C(=O)c1cccc(C(F)(F)F)c1 63110812 SBDZNEOOJAUVSK-MRVPVSSYSA-N 231.148 2.750 30 40 BFEB CCC(=O)OCC#Cc1ccc(Cl)c(F)c1 95633380 WDJLQOLSQUEZQH-UHFFFAOYSA-N 240.661 2.784 30 40 BFEB CCCC[C@H](O)C#Cc1cc(F)ccc1OC 95633679 PVSUBEFUYSQWBE-ZDUSSCGKSA-N 236.286 2.737 30 40 BFEB CC(C)CNC(=S)Nc1ccc(CC#N)cc1 130729511 OLJVJTHIHKOBOM-UHFFFAOYSA-N 247.367 2.695 30 40 BFEB C[Si](C)(C)C#Cc1ccc(C2OCCO2)o1 216523473 IDEUEIJDYPGUFQ-UHFFFAOYSA-N 236.343 2.554 30 40 BFEB N#Cc1ccc2nc3c(nc2c1)[C@H]1CC[C@@H]3C1 217623290 BMAGCBRVXMSIOK-ZJUUUORDSA-N 221.263 2.866 30 40 BFEB C[C@@H](C#N)OC(=O)c1cc2ccccc2o1 4332353 UAYHNQNBWLZGQX-QMMMGPOBSA-N 215.208 2.502 30 40 BFEB CCn1cc(/C=C\C(=O)c2cccc(O)c2)cn1 6637035 CUVASAGRKDKLLD-SREVYHEPSA-N 242.278 2.505 30 40 BFEB N#Cc1cccc2c1ccn2Cc1cccnc1 20436713 NYKSRSOKTTYSBQ-UHFFFAOYSA-N 233.274 2.956 30 40 BFEB COc1ccc(C(=O)CCCC#N)cc1 39330732 FAMCMYTYCIKYAV-UHFFFAOYSA-N 203.241 2.572 30 40 BFEB CC(C)[C@H](C#N)N1CCC[C@H](C(F)(F)F)C1 96509839 FNGPWPLVMLHACB-UWVGGRQHSA-N 234.265 2.809 30 40 BFEB CC1(C)OB(CC#C[Si](C)(C)C)OC1(C)C 196238932 BRINLPZAWWXACQ-UHFFFAOYSA-N 238.212 2.959 30 40 BFEB N#Cc1c(Cl)ccc(C=O)c1Cl 725326091 SVANCYRXLQJAOM-UHFFFAOYSA-N 200.024 2.678 30 40 BFEB Cc1csc2c(C#N)c(=O)c3ccccc3n12 1267589 ZAVNNGPWRPRBCU-UHFFFAOYSA-N 240.287 2.694 30 40 BFEB C(#Cc1ccccc1)CNCCc1ccccc1 16479293 PKNUVIYWTGXUIQ-UHFFFAOYSA-N 235.330 2.870 30 40 BFEB CN(/N=C/c1ccc(O)cc1)c1ccccc1 23100109 JBFKWPJTCAGPRQ-RVDMUPIBSA-N 226.279 2.863 30 40 BFEB COc1ccc(C#Cc2ccc(O)cc2)cc1 28642777 FXZMAYYBAROYOY-UHFFFAOYSA-N 224.259 2.801 30 40 BFEB C=CCNc1cc(C)c(Br)cn1 42783849 ZDRCESFJDGEDKO-UHFFFAOYSA-N 227.105 2.750 30 40 BFEB CN(C(=O)N1CCC1(C)C)c1cccc(C#N)c1 89919470 OBZKFJPCLJIFHX-UHFFFAOYSA-N 243.310 2.599 30 40 BFEB N#Cc1ccc(Br)cc1OC(F)F 95348381 LBXXMNAPNXRKPB-UHFFFAOYSA-N 248.026 2.922 30 40 BFEB in-vitro COc1cccc2cc(/C(C)=N/O)oc12 100316029 NAZNLQCRONMNFV-KPKJPENVSA-N 205.213 2.640 30 40 BFEB C=C(C)/C=C(\C)[C@](C)(C#N)C(=O)OC(C)C 1716519 YTWQJICNKCWVEC-HJTPGIPUSA-N 221.300 2.990 30 40 BFEB CCC[C@@H](O)C(F)(F)C(F)(F)C(F)(F)F 2045669 OTTCSFSJPPWLBV-SCSAIBSYSA-N 242.134 2.980 30 40 BFEB Cc1ccc(O)c(N/C=C2\CCCC2=O)c1 2378327 SKWHNDQVVAZLKV-CSKARUKUSA-N 217.268 2.749 30 40 BFEB C=CCNc1nnc(Cl)c2ccccc12 2379680 XTZZRHYGZRJHAP-UHFFFAOYSA-N 219.675 2.881 30 40 BFEB CC1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 6388465 YNNCANUHEBGIOR-UHFFFAOYSA-N 245.282 2.703 30 40 BFEB N/C(=N/O)c1c(Cl)cc(Cl)cc1Cl 6452817 VXZYJZYXJPMBMX-UHFFFAOYSA-N 239.489 2.741 30 40 BFEB COc1cc(F)cc2c(Cl)c(C#N)cnc12 49568652 ZJQUKNMOJUIJMB-UHFFFAOYSA-N 236.633 2.908 30 40 BFEB CC#CCCOC(=O)c1cc(C(C)=O)cs1 97137032 STAVGPJJGBPDBO-UHFFFAOYSA-N 236.292 2.521 30 40 BFEB C/C(=C\C(=O)C(F)(F)F)Nc1ccccc1O 100054017 QHESDHPBOHGDLD-VOTSOKGWSA-N 245.200 2.839 30 40 BFEB CCCCCNC=C1C(=O)c2ccccc2C1=O 102055853 RMVIMFMNLUDILP-UHFFFAOYSA-N 243.306 2.729 30 40 BFEB N#CCC(=O)c1cccc(OCC(F)(F)F)c1 169799861 ZAQUHXAOZXECRI-UHFFFAOYSA-N 243.184 2.724 30 40 BFEB C=C1C[C@@H]2CC[C@H](C1)N2Cc1ccncc1 662084238 PGRWWXBCYWMARC-OKILXGFUSA-N 214.312 2.765 30 40 BFEB C[C@H](C#N)OCCCC(F)(F)C(F)(F)F 1083811057 QMOBJUVKAIRWPY-ZCFIWIBFSA-N 231.164 2.893 30 40 BFEB Cn1cc(C(=O)/C=C/C=C/c2ccccc2)cn1 65606714 JRLDAKRQTNTXCU-NXZHAISVSA-N 238.290 2.872 30 40 BFEB C#Cc1c(F)cc(Br)cc1F 97436584 QBIALFGNFKGIKH-UHFFFAOYSA-N 217.012 2.709 30 40 BFEB COc1ccc(F)c(CCC=O)c1Cl 199557558 KQUXQAWYVLJCCW-UHFFFAOYSA-N 216.639 2.619 30 40 BFEB C=C1C[C@@H](C(C)(C)CN(C)C)O[C@H](C)C1 3152175 KMOSNQZZROCJCC-NEPJUHHUSA-N 211.349 2.698 30 40 BFEB biogenic N#CCSc1nc2ccccc2cc1C=O 3445852 VOAMXTHSOWOGFC-UHFFFAOYSA-N 228.276 2.663 30 40 BFEB CN1/C(=C\C=N\O)C(C)(C)c2ccccc21 12512796 BSRCOFDFRXXANS-WNEGCBGQSA-N 216.284 2.758 30 40 BFEB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)/C2=C\[N+](C)(C)C 13404051 LHJOXNURTHMGAA-VTSTVKRSSA-N 222.352 2.602 30 40 BFEB C/C=C/C(=O)c1cc(OC)c(OC)cc1C 15022458 KOWZBVFGLGGOHC-AATRIKPKSA-N 220.268 2.771 30 40 BFEB COc1c(Cl)cc(Cl)cc1C#N 40545607 JJBFMJTVXOXDEC-UHFFFAOYSA-N 202.040 2.874 30 40 BFEB N#Cc1c[nH]c2c(Br)cccc12 82598813 ZOUGHHCYTWBLDT-UHFFFAOYSA-N 221.057 2.802 30 40 BFEB in-vitro C=C(Cl)CN(C)Cc1ccc(Cl)nc1 96453062 FSOAFGNKWRNLRZ-UHFFFAOYSA-N 231.126 2.919 30 40 BFEB O=C(ON=C1CCCC1)c1ccc([N+](=O)[O-])cc1 138244 LPXFEFAZBDJSGT-UHFFFAOYSA-N 248.238 2.682 30 40 BFEB N#Cc1cccc(NC(=O)/C=C/c2ccco2)c1 4545205 DKNPGCRXAAONCU-VOTSOKGWSA-N 238.246 2.803 30 40 BFEB O=C(O)CCS/C(S)=N\c1ccccc1 6095666 SQMXIYKGSSMYER-UHFFFAOYSA-N 241.337 2.812 30 40 BFEB COc1ccc([C@@H]2CC(=O)C=C(O)C2)cc1 17744111 VMWQNDYIARTQTB-JTQLQIEISA-N 218.252 2.584 30 40 BFEB N#Cc1ccccc1Oc1ncccc1C#N 19505434 WCHSRPOOCTVQFV-UHFFFAOYSA-N 221.219 2.617 30 40 BFEB COCCN(CCC#N)Cc1c(C)cccc1C 72689692 NIZWABDGIXBZEB-UHFFFAOYSA-N 246.354 2.666 30 40 BFEB N#CCCCc1nc2ccc(F)cc2[nH]1 225294794 KDRYXJXEXVLUOF-UHFFFAOYSA-N 203.220 2.548 30 40 BFEB C/C(CC(C)C)=N\Oc1nc(C)cc(C)n1 493726 MMZJKSVFQORMFM-RVDMUPIBSA-N 221.304 2.894 30 40 BFEB N#CCCSC(=S)[C@H]1CCCC1=N 1567301 BXYQFEVQIURBAI-ZETCQYMHSA-N 212.343 2.781 30 40 BFEB in-vitro C=C1CN=C(Nc2ccc(F)cc2F)S1 1644593 LNWPMACBZBNWTA-UHFFFAOYSA-N 226.251 2.993 30 40 BFEB C=CCNC(=O)c1scc2c1CCCC2 2191958 ODPBCAIKPUCULZ-UHFFFAOYSA-N 221.325 2.543 30 40 BFEB CNc1oc(/C=C/c2ccccc2)nc1C#N 5193540 RCCIVQOHHICDHY-BQYQJAHWSA-N 225.251 2.758 30 40 BFEB aggregator CCOC(=O)[C@@H]1O[C@@]12C[C@@H](C)CC(C)(C)C2 31361424 RMWIEEYTJKQJFF-OUJBWJOFSA-N 226.316 2.533 30 40 BFEB C[C@H]1Cc2c(sc(N)c2C#N)[C@H](C)C1 32231829 PXDPPMHKUSRDCG-RNFRBKRXSA-N 206.314 2.888 30 40 BFEB CC(C)(C)OC(=O)Nc1ccc(CC=O)cc1 35569502 LAWNSYWKHNZIBE-UHFFFAOYSA-N 235.283 2.775 30 40 BFEB Cc1ccc(-n2cnc(Cl)c2/C=N/O)cc1 36390470 WYPALYBXPHIUGD-MKMNVTDBSA-N 235.674 2.642 30 40 BFEB Cc1ccccc1/C=C/C(=O)c1cnn(C)c1 49151388 LAVVTALAHONBGT-BQYQJAHWSA-N 226.279 2.625 30 40 BFEB O=C1CCC/C(=N\N2CCCc3ccccc32)C1 101371711 MXQNTTFANZXYBY-DTQAZKPQSA-N 242.322 2.938 30 40 BFEB C=CCC(=O)N(CC)c1ccccc1C 504550490 NXXVQNLYGNUDLL-UHFFFAOYSA-N 203.285 2.924 30 40 BFEB in-vitro CC1=CC(=O)C=C(C)C1=NC(=O)c1ccccc1 265601 JKZQEJBKHAAOEG-UHFFFAOYSA-N 239.274 2.743 30 40 BFEB Cc1cccc(/C=C/C(=O)[C@@H](C)CN(C)C)c1 1611370 HWQBZSPRWAFEEK-XEHSLEBBSA-N 231.339 2.775 30 40 BFEB C#CCOc1ccc(Cl)cc1/C=C/[N+](=O)[O-] 6360331 OECNVGLAORRKCJ-AATRIKPKSA-N 237.642 2.599 30 40 BFEB N#Cc1ccc(CSC2=NCCS2)cc1 16401835 SEPXJODTHJTKBN-UHFFFAOYSA-N 234.349 2.894 30 40 BFEB C=CCNC(=O)[C@@H](C)Nc1ccc(C(C)C)cc1 20314429 UVRFXYACIKRVCU-GFCCVEGCSA-N 246.354 2.913 30 40 BFEB O=C1Nc2ccccc2/C1=N/c1cccc(F)c1 40148037 GQTOWSLTHYBYJF-UHFFFAOYSA-N 240.237 2.899 30 40 BFEB CCn1cc(C(=O)/C=C/c2ccc(O)cc2)cn1 49274843 MHNDADLOSXKABF-VMPITWQZSA-N 242.278 2.505 30 40 BFEB C[C@@H](O)[C@@H](C)SCc1ccccc1C#N 79064600 FHARQWVSXHHYCT-NXEZZACHSA-N 221.325 2.561 30 40 BFEB CCN(CCC#N)c1ccnc(C(C)(C)C)n1 89969186 AZSQPUDHWHJDFC-UHFFFAOYSA-N 232.331 2.514 30 40 BFEB COc1ccc(C(=O)/C=C(\O)C(F)(F)F)cc1 103560347 DTYFIFDIWUMTGQ-POHAHGRESA-N 246.184 2.882 30 40 BFEB CCCCC[C@H](O)C#C[C@@H](O)CCCCC 12419690 GQHFRBUSENSDPM-KBPBESRZSA-N 226.360 2.872 30 40 BFEB O=C1CCCC2=C1C=C1CCCC[C@@H]1O2 26897632 TVBFEHXFAVPELO-LBPRGKRZSA-N 204.269 2.893 30 40 BFEB C[C@H]1CCc2sc(N)c(C#N)c2[C@@H]1C 82857245 DHTPZYJOIMPIQC-NKWVEPMBSA-N 206.314 2.888 30 40 BFEB in-vitro N#Cc1c(Cl)ncnc1Nc1ccccc1F 225740350 RNHPJQKFXPPHRQ-UHFFFAOYSA-N 248.648 2.884 30 40 BFEB N#Cc1ccc(CN[C@H]2CCC[C@@H]2F)cc1 585386177 UTKOPKMSLPRDKL-STQMWFEESA-N 218.275 2.538 30 40 BFEB Cc1cc(C)c(C#N)c(SCC(=O)C2CC2)n1 49760 NCSWTPOBHFZEFU-UHFFFAOYSA-N 246.335 2.641 30 40 BFEB CN(c1ncccc1C#N)C1CCCCC1 19513180 MIDFCMTYSYVSMV-UHFFFAOYSA-N 215.300 2.722 30 40 BFEB CCC(C)(C)NC(=O)/C=C/c1cccc(C#N)c1 32967765 ATZFENXZVGFXPD-CMDGGOBGSA-N 242.322 2.876 30 40 BFEB CCCN1C(=O)[C@H](CC#N)c2cc(C)ccc21 218748768 DEFKJOMREUNLMT-LLVKDONJSA-N 228.295 2.749 30 40 BFEB ON=C(c1ccccc1)[C@H](O)c1ccccc1 252444116 WAKHLWOJMHVUJC-CQSZACIVSA-N 227.263 2.599 30 40 BFEB CC1(C)OC(=O)[C@H](C#N)[C@H]1c1ccc(Cl)cc1 1703230 LZFLUYJCMQZCNZ-GHMZBOCLSA-N 249.697 2.899 30 40 BFEB CCO/C=N/Nc1cc(Cl)ccc1[N+](=O)[O-] 5312340 BUNRFBBNCNJCDV-IZZDOVSWSA-N 243.650 2.640 30 40 BFEB C=CCN(CC=C)c1ccc(N)cc1F 42783237 MTULPPHYZTWPPP-UHFFFAOYSA-N 206.264 2.586 30 40 BFEB Cc1ccc(Cl)cc1C#CCCCO 95631752 DKZJMCBARFURPZ-UHFFFAOYSA-N 208.688 2.772 30 40 BFEB CC(=O)Nc1ccc(/N=C/c2ccc[nH]2)cc1 100003665 FZWOZYQRMOKIBH-OQLLNIDSSA-N 227.267 2.724 30 40 BFEB C#Cc1ccc(OCC(F)(F)F)cc1 169797011 XLPSQJGJKTVIOC-UHFFFAOYSA-N 200.159 2.609 30 40 BFEB C(=N/c1ccc2c(c1)OCO2)\c1cccnc1 515531 VZPLXGRDUJLQES-OVCLIPMQSA-N 226.235 2.561 30 40 BFEB N#CC(C#N)[C@H](C#N)/C=C/c1ccccc1 1706719 XXPBBNYOUHAIEJ-SYTKJHMZSA-N 207.236 2.503 30 40 BFEB CC1(C)CCO[C@](C)(C#Cc2ccccc2)O1 3148858 SYYVIVFOXJNTOA-HNNXBMFYSA-N 230.307 2.970 30 40 BFEB Cc1ccc(Oc2ccc(/C(N)=N/O)cc2)cc1 6213590 CVEXZTIPYVGLEJ-UHFFFAOYSA-N 242.278 2.882 30 40 BFEB C=C(C)CNC(=S)Nc1cccc(C(C)=O)c1 6238228 RZTFABDGVRVMLM-UHFFFAOYSA-N 248.351 2.752 30 40 BFEB CC(=O)c1cccc(Oc2ccc(C#N)cn2)c1 36393867 UOUOKOUIJVSZFS-UHFFFAOYSA-N 238.246 2.948 30 40 BFEB N#CCCCN1CCC[C@@H]1Cc1ccccc1 55504923 RKIBMTDZOXMVPC-OAHLLOKOSA-N 228.339 2.997 30 40 BFEB N#CCc1nc2cc(Cl)c(Cl)cc2[nH]1 59901611 KXVWVUXOCWRYFS-UHFFFAOYSA-N 226.066 2.936 30 40 BFEB C=CCCc1csc([C@@H]2CCOC2)n1 96485562 ZTLSRNASQOLFNB-SECBINFHSA-N 209.314 2.766 30 40 BFEB N#Cc1ccc(N2C[C@H]3CCCC[C@H]3C2)nc1 98018819 PSBWQKHPIBQPFZ-BETUJISGSA-N 227.311 2.580 30 40 BFEB COc1cc(C)c(Br)cc1C#N 217676682 ZLIYGTPYJSZQAT-UHFFFAOYSA-N 226.073 2.638 30 40 BFEB CCc1c(N)cc(C#N)n1Cc1ccc(C)cc1 225856161 JFYYHMRYMVMZTI-UHFFFAOYSA-N 239.322 2.861 30 40 BFEB Cc1cc2nc(C)n(CCC#N)c2cc1C 5798762 JIGKUKONUGOFBX-UHFFFAOYSA-N 213.284 2.875 30 40 BFEB CCOc1ccc(N/C(S)=N\C2CC2)cc1 7522776 IBBSNZFHKHQHBK-UHFFFAOYSA-N 236.340 2.945 30 40 BFEB CCCCCCCn1cc(C(=O)O)cn1 59332784 FHBCVDQRDFRJOZ-UHFFFAOYSA-N 210.277 2.552 30 40 BFEB Cc1cccc([C@@H]2CCCN2CC#N)c1C 98013272 VEBNLEJHWCHCFT-AWEZNQCLSA-N 214.312 2.964 30 40 BFEB N#CCCC[S@@](=O)CC1CCCCC1 187070623 VNGPCCBBIZRPJL-CQSZACIVSA-N 213.346 2.619 30 40 BFEB COc1ccc(OCC(C)C)c(C#N)c1 225287900 BDWLIKJKCWGXFK-UHFFFAOYSA-N 205.257 2.602 30 40 BFEB CCCC/N=C(/NCc1ccccc1)NC1CC1 72271870 USIOEXMKWXMKQF-UHFFFAOYSA-N 245.370 2.684 30 40 BFEB C[C@@H](O)C#Cc1ccc(OC(C)(C)C)cc1 95631438 YQKDILZKNGCZOK-LLVKDONJSA-N 218.296 2.596 30 40 BFEB N#CCN[C@H](c1cc(F)ccc1F)C1CC1 96493180 RMNCPBDEAHRPGP-LBPRGKRZSA-N 222.238 2.529 30 40 BFEB CC(C)n1ccc(C#C[Si](C)(C)C)n1 216572352 BAPLIEAARZNWAU-UHFFFAOYSA-N 206.365 2.693 30 40 BFEB CCN1C(=O)CCc2cc(SCC#N)ccc21 218796381 NYEMXYHENMLKQX-UHFFFAOYSA-N 246.335 2.601 30 40 BFEB N#Cc1ccc(Br)c(F)c1S 238566120 BUQTULQICLEVHK-UHFFFAOYSA-N 232.077 2.749 30 40 BFEB C(=N/C1=NN(c2ccccc2)CC1)\c1ccco1 509649 PFIJAMJSYRKRFI-RVDMUPIBSA-N 239.278 2.922 30 40 BFEB CCC(C#N)(CC)N(C)C(=O)c1ccccc1 1752284 KDSKPUYGURHJOI-UHFFFAOYSA-N 230.311 2.841 30 40 BFEB COc1ccc(-c2cc(C#N)nc(Cl)n2)cc1 2028866 WVRVBCXEHFTJDX-UHFFFAOYSA-N 245.669 2.677 30 40 BFEB C[C@H]1C[C@H](C)CN(C(=O)c2cccc(C#N)c2)C1 19442209 IQHLOEWROSQVBU-RYUDHWBXSA-N 242.322 2.676 30 40 BFEB N#C[C@H](F)C(=O)c1cccc(C(F)(F)F)c1 63110813 SBDZNEOOJAUVSK-QMMMGPOBSA-N 231.148 2.750 30 40 BFEB O/N=C1\c2ccccc2-c2ccc(O)cc21 84460110 UQUMVFGOCCTDTB-BUHFOSPRSA-N 211.220 2.599 30 40 BFEB CC[C@]1(c2cccc(Cl)c2)O[C@@H]1C(=O)OC 85657606 HGCIZFPBWACOCN-ZYHUDNBSSA-N 240.686 2.517 30 40 BFEB c1ccc2c(c1)[C@H]1[C@H]3C4C5[C@@]6(C[C@H]7O[C@@H]7C[C@@]516)[C@H]2[C@H]43 104289970 QOAVIKPCPRLNQD-FESJNGKASA-N 248.325 2.921 30 40 BFEB N#Cc1ccc(/N=C/c2ccc(O)cc2O)cc1 288348 GSHGDQMCDPPIOO-CXUHLZMHSA-N 238.246 2.720 30 40 BFEB CC(C)(C)C(=O)C[n+]1ccc2ccccc2c1 5632341 AJFVKKVQRHEQCD-UHFFFAOYSA-N 228.315 2.743 30 40 BFEB C[C@@H]1CCCCN1Cc1ccc(C#N)cc1 8730521 OHJGSWZOTIBNTE-GFCCVEGCSA-N 214.312 2.933 30 40 BFEB C[C@@H](C1CC1)N(C)C(=O)Nc1ccc(C#N)cc1 12906894 LWTWZYDRVZCXTM-JTQLQIEISA-N 243.310 2.820 30 40 BFEB Cn1c(Cl)cnc1COc1ccccc1C#N 18032685 NUEJWJSAYOWKST-UHFFFAOYSA-N 247.685 2.524 30 40 BFEB N#Cc1cccc(OCC(F)(F)C(F)F)c1 20518665 VCQNKUJNJROSAA-UHFFFAOYSA-N 233.164 2.837 30 40 BFEB COc1ccc(C2(C#N)CCC(=O)CC2)cc1 39188437 JLIUWTXUSDIOCA-UHFFFAOYSA-N 229.279 2.600 30 40 BFEB CC/C=C(\C)C(=O)NCc1ccc(C#N)cc1 49055037 MTYSSNMMOJEXHP-NYYWCZLTSA-N 228.295 2.531 30 40 BFEB C[C@H](c1ccncc1)N(C)Cc1ccc(C#N)o1 97113704 NKEVAUXYUUWQST-LLVKDONJSA-N 241.294 2.739 30 40 BFEB C=CCCn1ccnc1[C@H](O)c1ccccc1 154869191 FMCNPXSPEUDPTC-CYBMUJFWSA-N 228.295 2.541 30 40 BFEB C=CCOc1cccc(NC(=O)C(F)(F)F)c1 216874596 LPDZEGRCKMXCJG-UHFFFAOYSA-N 245.200 2.752 30 40 BFEB Cc1c(/C=C/C(=O)c2ccccc2)cnn1C 4651154 XDVKDZVWJIOJBT-CMDGGOBGSA-N 226.279 2.625 30 40 BFEB CCC(C)(C)C(=O)Nc1ccc(C#N)cc1 4691007 BFHWRUFUUUXFBZ-UHFFFAOYSA-N 216.284 2.933 30 40 BFEB Cc1ccccc1/[N+]([O-])=C/c1ccco1 5016446 AMHJBANFRJLANP-LCYFTJDESA-N 201.225 2.849 30 40 BFEB C#Cc1cccc(NC(=O)N2CCC[C@H](C)C2)c1 43986390 ISWRMPBSYQIUIC-LBPRGKRZSA-N 242.322 2.932 30 40 BFEB Nc1cc(C(F)(F)F)ccc1CS 72209531 MPTSYQSLGJKPSU-UHFFFAOYSA-N 207.220 2.717 30 40 BFEB Cc1ccc(O)c(N/C=C2/CCCC2=O)c1 100882035 SKWHNDQVVAZLKV-NTMALXAHSA-N 217.268 2.749 30 40 BFEB C(=N\OCc1ccccc1)\c1ccccn1 4577904 OFVXRRHDUXNKLS-GDNBJRDFSA-N 212.252 2.632 30 40 BFEB N#Cc1cccc(COc2ccc(N)cc2)c1 22217140 MRXMPPCAMDCXKL-UHFFFAOYSA-N 224.263 2.719 30 40 BFEB in-vitro N#CCCSC(=S)[C@@H]1CCCC1=N 31760755 BXYQFEVQIURBAI-SSDOTTSWSA-N 212.343 2.781 30 40 BFEB in-vitro C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C/C=C(\C)CC[C@@H]12 100392377 XQVSREKNQZKAKU-WQURXQIUSA-N 248.322 2.522 30 40 BFEB biogenic,in-vitro CC1(C)OB(c2cc(C3CCC3)co2)OC1(C)C 198095879 JIPSWHDJRPGTAB-UHFFFAOYSA-N 248.131 2.846 30 40 BFEB CC[C@H]1CCCCN1C(=O)c1cccc(C#N)c1 12914259 IIVOJYWKWGXKHX-AWEZNQCLSA-N 242.322 2.963 30 40 BFEB CC[C@]1([C@@H]2CCCN2C(=O)OC(C)(C)C)CO1 72207973 FVSIKEXSQBOLKP-GXFFZTMASA-N 241.331 2.565 30 40 BFEB C#CCNc1nc(C(F)F)nc2ccccc12 95467512 BMPGGTGXBCBJMY-UHFFFAOYSA-N 233.221 2.613 30 40 BFEB CC[C@](C)(O)C#Cc1cc(F)c(F)c(F)c1 95632729 PHOYTNZBTDYLOS-LBPRGKRZSA-N 228.213 2.616 30 40 BFEB CCCCCCCCC[C@](C)(O)C(=O)O 1561870 PDCBURVZZNAAPE-LBPRGKRZSA-N 216.321 2.963 30 40 BFEB Cc1ccc(C(C)C)c(OC[C@H]2CO2)c1 9256945 GPKIXZRJUHCCKX-LLVKDONJSA-N 206.285 2.896 30 40 BFEB CC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 27442081 FZBSLZXPXHUBEM-UHFFFAOYSA-N 238.246 2.948 30 40 BFEB Cc1cccc2c1OCC/C2=N\N1CCCCC1 63356248 PMXXPOIRZVZREY-JQIJEIRASA-N 244.338 2.968 30 40 BFEB N#Cc1ccncc1NCc1ccccc1 75618012 HDKOYHBQWHGHAT-UHFFFAOYSA-N 209.252 2.565 30 40 BFEB C[C@@H]1OCC[C@H]1Sc1cccc(F)c1C#N 96484042 DBUKSHUABREXRP-GZMMTYOYSA-N 237.299 2.967 30 40 BFEB COC(=O)c1sc(N=[N+]=[N-])c(Cl)c1O 96511034 DEYAGXNMVVIULW-UHFFFAOYSA-N 233.636 2.836 30 40 BFEB O=C1C2=C(C(=O)C3=C1[C@@H]1CC[C@@H]3C1)[C@H]1CC[C@H]2C1 104186389 WDWXKSFSXJJWIR-BECAKDQMSA-N 240.302 2.591 30 40 BFEB O=C1C=CC(=NSc2ccccc2)C=C1 1009772 HBNZOFXHFBODHO-UHFFFAOYSA-N 215.277 2.830 30 40 BFEB N#CCC(O)(c1ccccc1)c1ccccc1 1680205 OSGUMQGPGBZSGN-UHFFFAOYSA-N 223.275 2.836 30 40 BFEB Cc1nn(-c2ccccc2)c(Cl)c1CC#N 4227983 LECIFANNGNTFFU-UHFFFAOYSA-N 231.686 2.900 30 40 BFEB C[C@H](C#N)Sc1nnc(-c2ccccc2F)o1 4987352 WSXMNAKVOWQDJV-SSDOTTSWSA-N 249.270 2.880 30 40 BFEB Cc1cc(N/C=C\C(=O)c2cccs2)on1 8301614 RCQJSQQBZXFNOR-PLNGDYQASA-N 234.280 2.853 30 40 BFEB CO[C@H]1CC[C@H](O)[C@H](/C=N/c2ccccc2)C1 12433106 QZAYBARGCWFJAC-BBCMPSNVSA-N 233.311 2.565 30 40 BFEB CC(C)(C#N)C(=O)Nc1nc2c(s1)CCCC2 42128261 ZVXPBKFBNYWITP-UHFFFAOYSA-N 249.339 2.510 30 40 BFEB C=C(Cl)CN1CCC(CN2CCCC2)CC1 47971518 XTIMJHUTFFNUHO-UHFFFAOYSA-N 242.794 2.547 30 40 BFEB CC1=NN/C(=C2\Sc3ccccc3C2=O)S1 95947273 AXATYPQSBDWOKF-ZHACJKMWSA-N 248.332 2.814 30 40 BFEB O/N=C1\CCC[C@@H]2CN(Cc3ccccc3)C[C@H]12 102071871 YGUBLIFXKQYDAG-PMLWWNAGSA-N 244.338 2.749 30 40 BFEB in-vitro O/N=C1\[C@H]2CC[C@@H](C2)[C@@H]1Sc1ccccn1 104806283 DIDZHGDTOINNTQ-NTLXOGRPSA-N 234.324 2.802 30 40 BFEB CC[C@@H](C)n1c(C#N)cc(N)c1N1CCCC1 225864537 SIFDSIIAEUTPMO-SNVBAGLBSA-N 232.331 2.513 30 40 BFEB C=CCOC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 1608553 HWLGQBWMTVDBMJ-MNOVXSKESA-N 208.301 2.954 30 40 BFEB COc1ccc(N/C=C/C(=O)C(F)(F)F)cc1 3223625 VSZFZXIWDRCVPH-VOTSOKGWSA-N 245.200 2.752 30 40 BFEB CC(C)(C)C(=O)Nc1ccc(C#N)cc1 5726570 CEQSOHAXBZSAIA-UHFFFAOYSA-N 202.257 2.543 30 40 BFEB N#Cc1cccc(COC(=O)c2ccco2)c1 5856076 FUJAWQHTINTQGG-UHFFFAOYSA-N 227.219 2.508 30 40 BFEB C(=N/c1nc[nH]n1)\c1ccc(-c2ccccc2)o1 6242688 WEZHABJLYJEEPE-RIYZIHGNSA-N 238.250 2.815 30 40 BFEB C=CCNC(=O)c1cc2ccccc2cc1OC 8316833 ZGQQROURDSBEKO-UHFFFAOYSA-N 241.290 2.764 30 40 BFEB N#Cc1c(F)cccc1NCc1nccs1 65565177 MSUHEIBQNRNGBM-UHFFFAOYSA-N 233.271 2.766 30 40 BFEB N#Cc1ccc(OC(F)(F)F)cc1F 91252273 IBIPIWRSAUPROW-UHFFFAOYSA-N 205.110 2.596 30 40 BFEB in-vitro C=CCC[C@@H](CC)N[C@@H](C)c1cnn(C)c1 96478360 XEQVQSOISNRFKL-WCQYABFASA-N 221.348 2.816 30 40 BFEB CC[C@H]1CCCCN1[C@@H]1/C(=N/O)[C@H]2CC[C@H]1C2 257345264 FVJURVRWXRJNLR-LCTYLOFPSA-N 236.359 2.880 30 40 BFEB CC[C@@H](CC(=O)N[C@H](C)C#N)c1ccccc1 78418923 IQMFBAGMVXIFQH-NEPJUHHUSA-N 230.311 2.599 30 40 BFEB N#CCc1ccc(NCc2ccc(C#N)o2)cc1 97115668 JIFOZBNTFZGJDX-UHFFFAOYSA-N 237.262 2.829 30 40 BFEB N#CC(C#N)/N=N\c1ccc(Cl)cc1 104331470 VSRWRLJPOOTNFT-YPKPFQOOSA-N 204.620 2.839 30 40 BFEB Cc1cc(C)cc(NC(=O)C2(C#N)CC2)c1 156829361 APQGGBOSQIYNDB-UHFFFAOYSA-N 214.268 2.546 30 40 BFEB C[C@]12C[C@@H]3C[C@H](C1)C[C@@](C(/C=N/O)=N/O)(C3)C2 217401315 SRKGMMGPXWMXFH-OKGOBXPMSA-N 236.315 2.883 30 40 BFEB CCOC(=O)c1ccc(C(C)(C)C#N)cc1 220814591 KBOFVNJJDLNWIV-UHFFFAOYSA-N 217.268 2.664 30 40 BFEB N#CC1(C#N)Cc2ccccc2N2CCCC[C@H]21 9060847 LEPDRWOYLDUYHW-AWEZNQCLSA-N 237.306 2.635 30 40 BFEB C#Cc1ccc(C(=O)c2ccccc2)cc1 38873493 GMJRQKHAIVLPIR-UHFFFAOYSA-N 206.244 2.899 30 40 BFEB CC(=O)/C=C1/Nc2ccc(C)c(C)c2O1 40545990 OQDIMQQDLHFFQA-WDZFZDKYSA-N 203.241 2.538 30 40 BFEB C=CCN(CC=C)Cc1nc(-c2ccco2)no1 45914410 WBNJMRMYELWBSF-UHFFFAOYSA-N 245.282 2.504 30 40 BFEB Cc1cccc([C@H](C#N)C(=O)C(C)C)c1 49812268 OOKJTNKCIZRJEM-LBPRGKRZSA-N 201.269 2.827 30 40 BFEB Cn1cc(CSc2ccc(C#N)cc2)cn1 69809748 ZDZNLKGUKIQDFX-UHFFFAOYSA-N 229.308 2.584 30 40 BFEB N#Cc1cc(F)ccc1NCCOCC1CC1 84344018 OCSCKFXUUQOXPI-UHFFFAOYSA-N 234.274 2.536 30 40 BFEB C=CCCC(=O)NC[C@@H](OC)c1ccsc1 96119931 PMBSIXYPWDOKMA-LLVKDONJSA-N 239.340 2.518 30 40 BFEB CCOC(=O)[C@@H](C#N)/N=N/c1cc(C)ccc1C 103550023 QKDZXZWNIXRSJD-IUDBQGPFSA-N 245.282 2.842 30 40 BFEB C=C(C)C/N=C(/N)Nc1ccc(C)c(C)c1 162453978 PSBSWXXFJTYYKM-UHFFFAOYSA-N 217.316 2.606 30 40 BFEB COCCC(F)(F)C(F)(F)C(F)(F)F 1565659640 RTMSGPDTNNDLHM-UHFFFAOYSA-N 228.107 2.856 30 40 BFEB COc1ccc2nc(Cl)c(CC#N)cc2c1 11985296 FKYJVSNNHVXRDI-UHFFFAOYSA-N 232.670 2.963 30 40 BFEB CC(C)N/C(=N/C#N)SCc1ccccc1 13143359 GKNAZBKFCXFIFZ-UHFFFAOYSA-N 233.340 2.755 30 40 BFEB C[C@H](NC(=O)C#Cc1ccccc1)C(C)(C)C 20502875 RFUGJOUAMOJWBO-LBPRGKRZSA-N 229.323 2.589 30 40 BFEB Cc1cc(C)c(C#N)c(N2CCCCC2)n1 22796025 OLHKLHAYGDRNHV-UHFFFAOYSA-N 215.300 2.560 30 40 BFEB N#CC1(c2ccccc2)CCC2(CC1)OCCO2 39188460 NGPVZFGEMDNOTA-UHFFFAOYSA-N 243.306 2.765 30 40 BFEB C[C@H](C#N)Sc1nccn1-c1ccccc1 40051534 ZZCIDXSVOMKODK-SNVBAGLBSA-N 229.308 2.876 30 40 BFEB N#CCSc1cc2c(cc1Cl)OCCO2 66262758 ANIMPTBJBILROP-UHFFFAOYSA-N 241.699 2.727 30 40 BFEB C#CCNc1cccc(COCCOCC)c1C 84802728 XRGHMKNOPPXGKW-UHFFFAOYSA-N 247.338 2.593 30 40 BFEB CC(C)(C)c1ccc(COC[C@H]2CO2)cc1 95096166 YEKXBSNYZMOLEH-ZDUSSCGKSA-N 220.312 2.900 30 40 BFEB CCCOc1ccc(/C=N\O)cc1OCC 100183573 DCFOJIXHXJOQBI-LCYFTJDESA-N 223.272 2.682 30 40 BFEB CC/C=C(\C)[C@@](C#N)(CC)C(=O)OCC 1714003 WGRSGSSXYRCXSF-OANVXVOSSA-N 209.289 2.826 30 40 BFEB COc1ccc(OC)c(N/C=C2\CCCC2=O)c1 3639157 UJYWGRQRCKNDBW-MDZDMXLPSA-N 247.294 2.753 30 40 BFEB CC(=O)C(=CNc1c(C)cccc1C)C(C)=O 4235447 SXCWIMZAHYVVHO-UHFFFAOYSA-N 231.295 2.777 30 40 BFEB biogenic CC/N=C/c1cc2ccc(C)cc2nc1O 9424350 NSRNUXZUYJOISW-RIYZIHGNSA-N 214.268 2.688 30 40 BFEB N#Cc1ccc(Oc2cccc(CO)c2)cc1 43475610 VTMHBWLXFTWTRR-UHFFFAOYSA-N 225.247 2.843 30 40 BFEB C=CCNC1=NN=C(C2CCCCC2)CS1 78446434 VGSRWUHYUZOTNN-UHFFFAOYSA-N 237.372 2.801 30 40 BFEB O=C(/C=N\Nc1ccccc1)c1ccccc1 100430651 SGKHPUBVXODEAR-PTNGSMBKSA-N 224.263 2.967 30 40 BFEB CN(C1CCCCC1)[C@H]1/C(=N/O)[C@H]2CC[C@H]1C2 257345334 CIMIGKAAHGMWNY-PEWPNZIQSA-N 236.359 2.880 30 40 BFEB C=C(C)CN(CC(=C)C)C(=S)S 1675074 XLWUDAFFUIEFNW-UHFFFAOYSA-N 201.360 2.655 30 40 BFEB Cc1cc(S)n2c(nc3ccccc32)c1C#N 2523184 KEDPTIJRTOQBMO-UHFFFAOYSA-N 239.303 2.956 30 40 BFEB N#C[C@H](CN1CCCCC1)c1ccccc1 3633608 XAAVYEVTYRGXRW-CQSZACIVSA-N 214.312 2.780 30 40 BFEB CN(C)c1ccc(/C(=N/O)c2ccccc2)cc1 13154316 BWFJUJNDYYZWQU-FOCLMDBBSA-N 240.306 2.979 30 40 BFEB C=CCNC(=O)[C@@H](C)Oc1cccc(C(C)C)c1 39996286 VNYYSNRSBAZCQR-GFCCVEGCSA-N 247.338 2.880 30 40 BFEB N#Cc1nccc2c(Br)cccc12 72207001 OBSFYBWGRFGYGY-UHFFFAOYSA-N 233.068 2.869 30 40 BFEB FC(F)(F)c1ccccc1COC[C@H]1CO1 95096176 JHURTRLGEJVYER-VIFPVBQESA-N 232.201 2.621 30 40 BFEB Cc1ccc(F)c(N(C#N)CCCC#N)c1 96482530 WKYSZBRUOPEKHA-UHFFFAOYSA-N 217.247 2.725 30 40 BFEB CCCCCCCCC[C@@](C)(N)C(=O)O 100300547 AVOOJFIWCZFMNT-GFCCVEGCSA-N 215.337 2.929 30 40 BFEB O=C1C=C(Br)C[C@H](C(F)(F)F)C1 225756839 YEWWSZOZLQPPSH-BYPYZUCNSA-N 243.022 2.807 30 40 BFEB CC(C)n1nc(Cc2ccccc2)c(C#N)c1N 225831291 DKLGOAZFKUSASW-UHFFFAOYSA-N 240.310 2.509 30 40 BFEB CC[C@H](C)n1c(C#N)cc(N)c1OC(C)C 225874773 AUYSUCCXZKQWNO-VIFPVBQESA-N 221.304 2.700 30 40 BFEB CCn1c(C#N)cc(N)c1Oc1ccc(F)cc1 225882623 NYMMSBTWRDUMCV-UHFFFAOYSA-N 245.257 2.893 30 40 BFEB C=CC(C)(C)c1cc(O)c(OC)cc1O 1578582 WRBTYJYLTOSFCV-UHFFFAOYSA-N 208.257 2.570 30 40 BFEB CC(C)(C)OC(=O)N[C@@H](C#N)c1ccccc1 2154128 UWMFDFGRVUUNOU-NSHDSACASA-N 232.283 2.776 30 40 BFEB CCCCCC/N=C1/NCCCS1 8729596 HUPXCPGYBCWBCC-UHFFFAOYSA-N 200.351 2.649 30 40 BFEB CC1=C2CC[C@]2(C)[C@]2(O)CC(C)(C)C=C2C1=O 14507435 BTEVYXQGBSRQMD-GJZGRUSLSA-N 232.323 2.773 30 40 BFEB biogenic O=C(O)c1cccc2c1-c1ccccc1/C2=N/O 16924810 IHSOXTPEDUKGBD-SQFISAMPSA-N 239.230 2.592 30 40 BFEB Cc1cc(NC(=O)C(C)(C)C#N)ccc1N(C)C 71972734 WVUAPTDWBCLCHL-UHFFFAOYSA-N 245.326 2.549 30 40 BFEB C=CCNC(=S)Nc1cc(C)c(Cl)cn1 223918986 LBYIUHNYAWYJBU-UHFFFAOYSA-N 241.747 2.516 30 40 BFEB CC/C=C(/CCC)[C@](C)(C#N)C(=O)OC 1716500 MLISISAHOURVHQ-UMAGTOLTSA-N 209.289 2.826 30 40 BFEB C[C@H]1c2ccsc2CCN1CCC#N 32814857 PVRWJNKBZCUKHN-VIFPVBQESA-N 206.314 2.581 30 40 BFEB CC(C)[C@@H]1CCCN(c2nccnc2C#N)CC1 71029203 GVQPZOPTMCURCU-GFCCVEGCSA-N 244.342 2.611 30 40 BFEB COc1ccncc1NCc1cccc(C#N)c1 95430860 JZOFZMYCESOYIW-UHFFFAOYSA-N 239.278 2.574 30 40 BFEB C=CCN1CC[C@@H]2[C@@H]1CCN2Cc1cccs1 96055796 QHJSJLSTNBKPGM-UONOGXRCSA-N 248.395 2.583 30 40 BFEB C#CCCCCNC(=O)Nc1cccc(F)c1 96466761 ROPOUZGHKJRXFR-UHFFFAOYSA-N 234.274 2.751 30 40 BFEB CCCCCCCn1cc([N+](=O)[O-])cn1 100412276 UIPZVZJSJXEYOS-UHFFFAOYSA-N 211.265 2.762 30 40 BFEB N#Cc1ncccc1OCCc1ccccc1 330032813 RXYXSVVSBFDWBG-UHFFFAOYSA-N 224.263 2.575 30 40 BFEB C=CCOC(=O)/C(C)=C\c1ccccc1 1695482 ZMSRPUQGLIJHCY-KHPPLWFESA-N 202.253 2.819 30 40 BFEB O=[N+]([O-])c1ccc(/C=[N+](\[O-])c2ccccc2)s1 2577688 VVYSQCRELNPVFC-WQLSENKSSA-N 248.263 2.917 30 40 BFEB C=CCNC(=O)C12CC3CC(CC(C3)C1)C2 4348575 ZQSVFAFUEFXFRH-UHFFFAOYSA-N 219.328 2.505 30 40 BFEB Cc1cc(Cl)cc([C@@H](S)C(=O)O)c1C#N 4775689 GKENIEODGMDHFJ-SECBINFHSA-N 241.699 2.576 30 40 BFEB O/N=C1/Cc2ccccc2[C@@H]1N1CCCCCC1 5903723 AGRSZECUOPIZDS-RIBQPWQFSA-N 244.338 2.990 30 40 BFEB N#Cc1nc(-c2ccco2)oc1N1CCCCC1 16749878 MJKUKZNAFZQODU-UHFFFAOYSA-N 243.266 2.797 30 40 BFEB N#Cc1ccc(-c2ccc(CN)cc2)cc1 26543724 GJGBJUWMKXOCTQ-UHFFFAOYSA-N 208.264 2.684 30 40 BFEB C=CCNC(=O)N[C@@H](C)c1ccc(OCC)cc1 32862650 MOPAWMYUZFGKHZ-NSHDSACASA-N 248.326 2.632 30 40 BFEB C[C@@H]1CN/C(=N\c2cccc3cccnc23)S1 35294430 MLZKMAYEVRBDOU-SECBINFHSA-N 243.335 2.947 30 40 BFEB N#Cc1cccc(-c2n[nH]cc2Br)c1 69637457 WQDFCGLPASKOQF-UHFFFAOYSA-N 248.083 2.711 30 40 BFEB C[C@H](O)[C@@H](C)SCc1ccccc1C#N 79064590 FHARQWVSXHHYCT-VHSXEESVSA-N 221.325 2.561 30 40 BFEB O/N=C1/C(c2ccccc2)=Nc2ccccc21 95470208 UNTADALETIMKJL-JQIJEIRASA-N 222.247 2.999 30 40 BFEB N#CCCN1CCC[C@H](COc2ccccc2)C1 96411352 HTGFKJCYXGATLY-AWEZNQCLSA-N 244.338 2.691 30 40 BFEB O/N=C/c1nc(-c2ccccc2)n2ccccc12 100836390 TWBCCENGSFOVSV-XNTDXEJSSA-N 237.262 2.809 30 40 BFEB C=CCn1c(=N)sc2cc(OCC)ccc21 100968704 FBGXPWSXAMQQJR-UHFFFAOYSA-N 234.324 2.767 30 40 BFEB N#Cc1ccc(CN2C[C@H]3CCC[C@@H]3C2)c(F)c1 148070859 YDFMOVPYANVALC-CHWSQXEVSA-N 244.313 2.929 30 40 BFEB O=[N+]([O-])c1ccc(/C=N/N2CCCCCC2)cc1 1627396 YEFOWGFKCOZUDR-SDNWHVSQSA-N 247.298 2.805 30 40 BFEB N#C[C@@H](C(=O)Cc1cccs1)c1ccccn1 12541274 GODAQPDWCFIAHJ-LLVKDONJSA-N 242.303 2.562 30 40 BFEB COc1ccc(O)c(/C=N\Nc2ccccc2)c1 17024145 YMPXJVNODYUEOL-GDNBJRDFSA-N 242.278 2.847 30 40 BFEB C/[N+]([O-])=C\c1ccc(-c2ccccc2)cc1 32704569 BDTHFCOOVXAIRV-RVDMUPIBSA-N 211.264 2.913 30 40 BFEB O=[N+]([O-])c1ccc(N/N=C2/C[C@@H]3CC=C[C@@H]23)cc1 36261364 UMWAQZYZZVEAOD-TUKVHPRHSA-N 243.266 2.959 30 40 BFEB C=CCc1ccc(O[C@H]2CCCNC2)c(OC)c1 42775546 BUBHBOVHYOIPOL-ZDUSSCGKSA-N 247.338 2.555 30 40 BFEB CC(C)C(=O)[C@@H](C#N)c1ccccc1F 49671532 LRVSQNSDZHNOAV-JTQLQIEISA-N 205.232 2.658 30 40 BFEB N#Cc1ccc2c(Cl)nc(Cl)nc2c1 64034434 VLCHPTOMKJWDMG-UHFFFAOYSA-N 224.050 2.808 30 40 BFEB CO[C@@H](C)c1noc(C2(C#N)CCCCC2)n1 96461128 ZIQFYDBYOKFNEA-VIFPVBQESA-N 235.287 2.502 30 40 BFEB Cc1cccc([C@H]2CCCN2CC#N)c1C 98013273 VEBNLEJHWCHCFT-CQSZACIVSA-N 214.312 2.964 30 40 BFEB CC(=O)/C(=C\N(C)C)c1ccc(Cl)cc1 100543136 NQEZMSRBECRTMN-XYOKQWHBSA-N 223.703 2.832 30 40 BFEB CCOC(=O)c1[nH]c2cccc3c2c1C=CC3=O 104218566 XMJNOUYXODFBDJ-UHFFFAOYSA-N 241.246 2.554 30 40 BFEB C[Si](C)(C)C#Cc1cccc2cn[nH]c12 200344804 KBMJSOOMFKAPGF-UHFFFAOYSA-N 214.344 2.792 30 40 BFEB N#CC[C@H]1CCc2cc3c(c(N)c21)CCC3 2088617666 GBAMCNRPNOFDFV-SECBINFHSA-N 212.296 2.701 30 40 BFEB COc1cccc(/C=C/C(=O)c2ccc[nH]2)c1 5603597 AFIWQAOOUPKHRP-BQYQJAHWSA-N 227.263 2.919 30 40 BFEB C=CCNC(=O)[C@H](C)SCC1CCCC1 97138546 HBCQESIFOIHKAW-JTQLQIEISA-N 227.373 2.601 30 40 BFEB N#Cc1c(-c2c(F)cccc2Cl)noc1N 107074743 VACJCLSXFFVMQT-UHFFFAOYSA-N 237.621 2.588 30 40 BFEB C=CC[C@H]1C=CC[C@H](CC=C)N1C(C)=O 134063 VGMRLIHUGUAMLX-STQMWFEESA-N 205.301 2.684 30 40 BFEB O=[N+]([O-])c1ccc(/N=C/c2cccnc2)cc1 5513893 XQFRICNRNOKGFR-NTEUORMPSA-N 227.223 2.740 30 40 BFEB N#CCSc1nc(CCC2CCCC2)n[nH]1 12863213 CRUGIFDHAQGAHL-UHFFFAOYSA-N 236.344 2.543 30 40 BFEB N#CCCn1c(C(F)F)nc2ccccc21 16904043 DXMCSKNLGYHPGA-UHFFFAOYSA-N 221.210 2.888 30 40 BFEB CN(C(=O)c1cccc(C#N)c1)c1ccccc1 19519034 HYKGXQGPGBIZRT-UHFFFAOYSA-N 236.274 2.835 30 40 BFEB FC(F)(F)c1ccc(COC[C@@H]2CO2)cc1 95096167 SCFAYXHXUBBHOS-SNVBAGLBSA-N 232.201 2.621 30 40 BFEB C#Cc1cccc(NCc2cccnc2C)c1 95944583 ZCWPPSHLKKMCNI-UHFFFAOYSA-N 222.291 2.983 30 40 BFEB C[C@H]1CCC[C@@H](C)N1[C@H]1/C(=N/O)[C@H]2CC[C@H]1C2 257345257 FJTNUHLQJBBRRC-FGINWZODSA-N 236.359 2.878 30 40 BFEB O/N=C(\Cl)c1cc2ccccc2cn1 514252408 NCHGBEONKGOJGT-RAXLEYEMSA-N 206.632 2.609 30 40 BFEB CC1(C)C[C@]2(CCCN(CCC#N)C2)CCO1 1764281 KHWAEWQNTJDFAN-AWEZNQCLSA-N 236.359 2.571 30 40 BFEB biogenic O/N=C(/CCN1CCCCC1)c1ccccc1 20508478 RHSZFLYXSNGGGN-PFONDFGASA-N 232.327 2.741 30 40 BFEB CN(Cc1ccccc1F)c1ncccc1C#N 33010916 IUWONZFWBPSFAL-UHFFFAOYSA-N 241.269 2.729 30 40 BFEB Cc1ccc(OCC2(C#N)CCOCC2)cc1 85390524 ZKVNRLSJDZUDOC-UHFFFAOYSA-N 231.295 2.694 30 40 BFEB C=CCn1cnc(-c2cccc(Cl)c2)c1N 100761289 DMNAFVNQSDCRJE-UHFFFAOYSA-N 233.702 2.972 30 40 BFEB CCOc1ccc(NC2=CC(=O)CC2)cc1 4089517 OETWQBIKSSNZSV-UHFFFAOYSA-N 217.268 2.744 30 40 BFEB CSc1[nH]c2ccccc2c1CC#N 5527666 QPUJSLTXKMCKRJ-UHFFFAOYSA-N 202.282 2.956 30 40 BFEB C=C[C@@H](C)NC(=S)Nc1ccnc(Cl)c1 16576234 RPGGHFHYTKJHOL-SSDOTTSWSA-N 241.747 2.596 30 40 BFEB O/N=C1/CC[C@@H]2CN(C3CCCCC3)C[C@H]2C1 34115022 LTSLFNBPLYFMAG-UTBUBNTNSA-N 236.359 2.881 30 40 BFEB COC(=O)[C@@]1(C)O[C@@]1(C)c1ccc(Cl)cc1 85657794 NHENVTFPIUKJRS-NWDGAFQWSA-N 240.686 2.517 30 40 BFEB C=CCC[C@H](CC)N[C@@H](C)[C@@H]1CCCO1 95420222 MTSQDODKZFGCOJ-AVGNSLFASA-N 211.349 2.888 30 40 BFEB O/N=C/C(=N/O)c1ccc(C2CCCC2)cc1 5944727 WOTKSZUJTUKMGP-NECJJZFNSA-N 232.283 2.983 30 40 BFEB C[C@@H](NC(=O)C1(C#N)CC1)c1ccc(Cl)cc1 156889015 QWECAADDGZXBEH-SECBINFHSA-N 248.713 2.821 30 40 BFEB O/N=C(\Cl)c1cccc2ccncc12 514252402 DGTQVISITXOQDQ-RAXLEYEMSA-N 206.632 2.609 30 40 BFEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)NCC)C2 616767 WWKODCHKNNHTJY-ZWNOBZJWSA-N 207.317 2.505 30 40 BFEB C=CCNC(=O)Nc1nc2ccccc2s1 6295781 PJLFVLWUPYYPNU-UHFFFAOYSA-N 233.296 2.604 30 40 BFEB CCC/C(O)=N/S(=O)(=O)c1ccc(C)s1 48515177 PGSFXOZGYGFBMS-UHFFFAOYSA-N 247.341 2.502 30 40 BFEB CCc1ccccc1C#CCN(CC)CC 95632135 FKSBMOBPAMRTJW-UHFFFAOYSA-N 215.340 2.942 30 40 BFEB C#CCCCCC(=O)NC1CCCCC1 95983762 QVLJMCSYGFOAAF-UHFFFAOYSA-N 207.317 2.629 30 40 BFEB O/N=C(\c1ccccn1)C1CCCCC1 100467661 MWPZTYVDZIZIPV-OWBHPGMISA-N 204.273 2.840 30 40 BFEB CC1(C)COC(c2cccc(C#N)c2)OC1 4744957 JRBPLZRBNNGHEL-UHFFFAOYSA-N 217.268 2.630 30 40 BFEB CC[C@@H](CC#N)n1ccc(C(F)(F)F)n1 12395771 SYQUIQNTSNOQLF-ZETCQYMHSA-N 217.194 2.767 30 40 BFEB CC[C@](C)(C#N)NC(=O)c1cccc(Cl)c1 40357290 WFCCTCRQKKPKJY-GFCCVEGCSA-N 236.702 2.762 30 40 BFEB CCCCCCCCCCNC(N)=S 78685646 GSNUNTMZZWSJCW-UHFFFAOYSA-N 216.394 2.960 30 40 BFEB in-vitro Cc1ccc(Cl)cc1C#CCN(C)C 95631737 QGBHGJNHGAYRII-UHFFFAOYSA-N 207.704 2.562 30 40 BFEB CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccsc1 95997540 MHKUMBSJHLZZGW-GFCCVEGCSA-N 236.340 2.806 30 40 BFEB C#CCCCNC(=O)N(CC1CCC1)C(C)C 193858972 QXINLALHJJBUOI-UHFFFAOYSA-N 236.359 2.620 30 40 BFEB CC(C)(C)C(=O)/C=C/Nc1ccc(O)cc1 199434117 SHOVQDQOUUWUJO-CMDGGOBGSA-N 219.284 2.933 30 40 BFEB CCc1ccc(Nc2ccc(C#N)nn2)cc1 301857664 ZTFMLCDVZQPGPA-UHFFFAOYSA-N 224.267 2.654 30 40 BFEB O=[N+]([O-])c1cccc(/N=C/c2ccc[nH]2)c1 96009 LXPCHAVAMMUCJP-MDWZMJQESA-N 215.212 2.674 30 40 BFEB N#CCOC(=O)c1cc2c(F)cccc2s1 7251009 SILSYQAOAWWOIV-UHFFFAOYSA-N 235.239 2.721 30 40 BFEB N#Cc1ccc(COC(=O)c2ccsc2)cc1 22536583 AZHVVDJPYLMLGI-UHFFFAOYSA-N 243.287 2.977 30 40 BFEB C=C(Cl)Cc1cc(OC)ccc1OC 43208791 DVWGSJGZINKRAW-UHFFFAOYSA-N 212.676 2.999 30 40 BFEB C[C@@H](C#N)C(=O)Nc1ccc(Cl)c(F)c1 44825055 MYNICGVHEJHOBY-LURJTMIESA-N 226.638 2.577 30 40 BFEB O=C1CCCC1=C1SCCCS1 68590769 VEPPRCVIKQOLSP-UHFFFAOYSA-N 200.328 2.821 30 40 BFEB O=C1CCC/C(=N/Nc2ccc(F)cc2)C1 79471008 JKGMYVMJGKGJDF-PTNGSMBKSA-N 220.247 2.737 30 40 BFEB C[C@H](O)[C@H](C)SCc1cccc(C#N)c1 96430292 QIDFWXTZGNZNEF-UWVGGRQHSA-N 221.325 2.561 30 40 BFEB CCN(Cc1cccc(C)c1)[C@H](C)C#N 97372032 POCLELRXSRKFNO-GFCCVEGCSA-N 202.301 2.729 30 40 BFEB CCOc1cc(Cl)cc(C#N)c1OC 225289919 WGQAPJLGVJVZIL-UHFFFAOYSA-N 211.648 2.619 30 40 BFEB Cc1ccc(NC(=O)CS)cc1Cl 4749613 VGXZXLRXSIUBQY-UHFFFAOYSA-N 215.705 2.517 30 40 BFEB CC1=C(/C=C/C(C)=N\N=C(N)N)C(C)(C)CCC1 17376396 ZEWDNOFNNKZKDB-HQFFKOPYSA-N 248.374 2.719 30 40 BFEB N#CCc1ccc(Oc2ccc(N)cn2)cc1 19255329 MDNBZMASKPMILV-UHFFFAOYSA-N 225.251 2.522 30 40 BFEB in-vitro N#Cc1cc(Cl)c(N)c(C(F)(F)F)c1 19721350 YSBUJICJITXTSW-UHFFFAOYSA-N 220.581 2.813 30 40 BFEB CN(CC#N)CCCOc1ccc(Cl)cc1 52451074 RCRKRTBVWYWCKK-UHFFFAOYSA-N 238.718 2.564 30 40 BFEB Cc1cc(C#N)cnc1N1CCCCCC1 72222478 GWDBMTIJQSHKBO-UHFFFAOYSA-N 215.300 2.642 30 40 BFEB C=CCN(C(=O)Nc1ccccc1)C1CC1 95458683 QOCBIVVDVORCAZ-UHFFFAOYSA-N 216.284 2.869 30 40 BFEB CCO[C@@H](C)OCC#Cc1ccccc1CC 95632111 RJIJBABPEWUTCM-CYBMUJFWSA-N 232.323 3.000 30 40 BFEB CCCCCCC[C@@H](C)NCCCO 100525944 CFPXIDOWYVNDDK-GFCCVEGCSA-N 201.354 2.707 30 40 BFEB O/N=C1C(=N\O)\c2ccccc2-c2ccccc2\1 101481767 CFZZKFOEDDHUAM-VCFJNTAESA-N 238.246 2.724 30 40 BFEB N#Cc1ccccc1NCNc1ccccc1C#N 1233413 GTOPOQYJKAXHHG-UHFFFAOYSA-N 248.289 2.911 30 40 BFEB C=CCOc1ccc(-c2nnc(S)o2)cc1 6073538 CKZKWXWCFHTIMB-UHFFFAOYSA-N 234.280 2.590 30 40 BFEB N#Cc1cccc(OCc2cccnc2)c1 19505242 SVPHDDVBAPQOMR-UHFFFAOYSA-N 210.236 2.532 30 40 BFEB C=CCNC(=O)N1CCC2(CCCCC2)C1 80586085 CAALDWUQXVSZBQ-UHFFFAOYSA-N 222.332 2.538 30 40 BFEB Cc1cc(SCCCCC#N)nc(C)n1 96475484 JQXJGIAIXLLHTI-UHFFFAOYSA-N 221.329 2.879 30 40 BFEB O=C1/C(=N\O)c2ccccc2N1c1ccccc1 100467799 RQNYRJISJDNUOP-SQFISAMPSA-N 238.246 2.543 30 40 BFEB CC(C)(C)OC(=O)N1CCC2(CC(C#N)C2)C1 147686791 RKRWQMWHGXWXSV-UHFFFAOYSA-N 236.315 2.547 30 40 BFEB COc1ccc(C(=O)/C=C/c2ccccn2)cc1 6544999 PUUXTLUBRGYYIL-JXMROGBWSA-N 239.274 2.986 30 40 BFEB in-vivo Sc1nnc(/N=C/c2ccccc2)s1 16451010 NQTMKHUWXOYDOY-UXBLZVDNSA-N 221.310 2.577 30 40 BFEB CN(C)c1ccc([C@H]2CC(=O)C=C(O)C2)cc1 18217667 ODAOCAVIVMZAEA-LLVKDONJSA-N 231.295 2.641 30 40 BFEB CN(Cc1ccccc1)[C@H](C#N)c1ccco1 20265533 AAWDQKAWZMXPOE-CYBMUJFWSA-N 226.279 2.976 30 40 BFEB C=CCN1CCC(C(=O)c2ccccc2)CC1 69517376 OOAZFUXXLBPUIS-UHFFFAOYSA-N 229.323 2.767 30 40 BFEB CC1CCC(N(CC#N)C[C@H]2CCCO2)CC1 75834005 KUUNLTOFASIXSP-JXQTWKCFSA-N 236.359 2.570 30 40 BFEB COc1ccc(C(=O)OCC2(CC#N)CC2)cc1 96442783 ZDHTZJRCCKIFJE-UHFFFAOYSA-N 245.278 2.546 30 40 BFEB C=CCc1cc(/C=N/O)cc(OC)c1OCC 409069009 UCWCJNJSBHNWGT-NTEUORMPSA-N 235.283 2.631 30 40 BFEB N#Cc1cccc(CC(=O)c2ccccc2)c1 2392971 GEOQUDPIRPINGB-UHFFFAOYSA-N 221.259 2.984 30 40 BFEB CC(C)(C)c1ccc(C(=O)OC[C@@H]2CO2)cc1 2516977 NOWVDELPZQQGIG-LBPRGKRZSA-N 234.295 2.540 30 40 BFEB in-vitro C#CCOc1ccc(Cl)c2cccnc12 4129572 VBHMADSDIWMIGK-UHFFFAOYSA-N 217.655 2.900 30 40 BFEB N#Cc1cnc2c(Br)cccc2c1O 19432424 KBHILCCHUNDPIU-UHFFFAOYSA-N 249.067 2.575 30 40 BFEB N#Cc1cc(N)ccc1NCc1cccs1 20135000 VIJFQPGLMPQCHL-UHFFFAOYSA-N 229.308 2.814 30 40 BFEB CC1CCC(N(CC#N)C[C@@H]2CCCO2)CC1 75834003 KUUNLTOFASIXSP-RUXDESIVSA-N 236.359 2.570 30 40 BFEB N#Cc1ccc(CSc2ncc[nH]2)cc1 78991020 WSHJBMCWJVSIHO-UHFFFAOYSA-N 215.281 2.574 30 40 BFEB O/N=C(/c1ccccc1)c1ccc(O)cc1 100349296 BINATKJGYKUBBZ-YPKPFQOOSA-N 213.236 2.619 30 40 BFEB C=C1CCCN(C(=O)c2cccs2)C1 575606150 DEKXCYMMSVVVCT-UHFFFAOYSA-N 207.298 2.540 30 40 BFEB C=C1C[C@@H]2CC[C@H](C1)N2Cc1cccnc1 662084648 UKDGGPCMBPFTJW-OKILXGFUSA-N 214.312 2.765 30 40 BFEB CN(C)CCC[C@H](C#N)c1ccccc1 1673505 NXHIHKLMPBXJOK-CYBMUJFWSA-N 202.301 2.636 30 40 BFEB C=C(Br)CNC(=O)C1CCCCC1 1697498 SLUYDJPXDLADFL-UHFFFAOYSA-N 246.148 2.592 30 40 BFEB Cc1ccc(CNc2ccc(C#N)cn2)cc1 19424597 CFONDFSZNLEUJR-UHFFFAOYSA-N 223.279 2.874 30 40 BFEB COc1ccccc1CN/N=C/c1ccccc1 20761888 QBIFUSNQJGTBRX-LFIBNONCSA-N 240.306 2.819 30 40 BFEB C#CC[C@H](C)NCc1csc(C(C)C)n1 78932793 RDETZBXRITUXDU-JTQLQIEISA-N 222.357 2.768 30 40 BFEB N#CC1(COc2ccccc2F)CCOCC1 85390525 XBMODGOGBJRQSQ-UHFFFAOYSA-N 235.258 2.525 30 40 BFEB CCCCCCCC[N+]1(C)CCOCC1 103013893 PFOKFJXMERIJTM-UHFFFAOYSA-N 214.373 2.824 30 40 BFEB C=C(C)CNC(=O)NC[C@@H](C)c1ccsc1 156613947 NTANGAFKBCCXOI-SNVBAGLBSA-N 238.356 2.727 30 40 BFEB CN(C)/N=C/c1ccccc1C(F)(F)F 169881525 QEYBEIKLDISHCG-VGOFMYFVSA-N 216.206 2.601 30 40 BFEB Cc1ccc(/C=N/c2ccc(C(N)=O)cc2)s1 288297 DGUJWWRWYPQDMI-OVCLIPMQSA-N 244.319 2.906 30 40 BFEB N#Cc1c(S)nc2c(c1-c1ccco1)CCC2 3416044 XSJCMUQYZUCYTD-UHFFFAOYSA-N 242.303 2.991 30 40 BFEB C=CCSc1nnc(C)n1-c1ccccc1 4354846 BFVRZHBLPMGCMT-UHFFFAOYSA-N 231.324 2.854 30 40 BFEB CCn1cc(/C=C\C(=O)c2ccc(O)cc2)cn1 6490292 BABRCLGPCUWNRA-BAQGIRSFSA-N 242.278 2.505 30 40 BFEB Cc1[nH]c2ccc(C(=O)O[C@H](C)C#N)cc2c1C 7736058 CALZUGYSJWXLBO-MRVPVSSYSA-N 242.278 2.854 30 40 BFEB CC1=C/C(=N\C(=O)c2ccccc2)C(C)=CC1=O 16779797 WIEOHLQNVMYFLI-DTQAZKPQSA-N 239.274 2.743 30 40 BFEB C/C=C(/C)[C@](C#N)(CCC)C(=O)OCC 17162201 VTSXSFDYXGOMAM-XTOZHPGHSA-N 209.289 2.826 30 40 BFEB COC[C@@H](/N=C/c1ccc(OC)cc1)C(C)C 18066654 MONVNSWGRGLHCL-UWZYDCLUSA-N 235.327 2.785 30 40 BFEB C#Cc1cccc(NC(=O)CC[C@H]2CCCO2)c1 32816498 KFWAMUGFHPUMKG-CQSZACIVSA-N 243.306 2.566 30 40 BFEB CC(=O)OCC[C@@H](C)CC[C@@H]1OC1(C)C 34612660 MRGMCVIMBUZMEC-ONGXEEELSA-N 214.305 2.533 30 40 BFEB CCC(O)(CC)CN(C)Cc1ccc(C#N)cc1 95991047 SBRMWIYVHDWEOL-UHFFFAOYSA-N 246.354 2.541 30 40 BFEB COc1ccc(OC)c(/N=C\c2ccncc2)c1 100330791 DCHQULBCYBITRL-YBEGLDIGSA-N 242.278 2.849 30 40 BFEB C=C1C(=O)O[C@H]2C3=C(C)CCC[C@]3(C)C(=O)C[C@@H]12 14452287 CPHPAWJXZHHPEN-PSOPSSQASA-N 246.306 2.564 30 40 BFEB biogenic,in-vitro CN(C)[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 37354786 VFQPNRMMCAUYDH-JTQLQIEISA-N 244.216 2.711 30 40 BFEB CCN(C[C@H](C)C#N)C(=O)C1CCCCC1 42296013 VETXLBCRWAZVTN-LLVKDONJSA-N 222.332 2.575 30 40 BFEB COc1c(C#N)cc(Br)c(C)c1C 57339818 RVDJJXSZLNVOEN-UHFFFAOYSA-N 240.100 2.946 30 40 BFEB COc1ccccc1/C=N/c1c(C)n[nH]c1C 59415846 WVAYCUXQBXLIJI-RIYZIHGNSA-N 229.283 2.786 30 40 BFEB CN(C(=O)C=C1CCCCC1)C1(C#N)CCC1 66321398 IWKNPSLZLXHJNQ-UHFFFAOYSA-N 232.327 2.782 30 40 BFEB N#Cc1ccccc1S[C@H]1CCCC[C@H]1O 93904204 HURCHGRSZNJGFW-YPMHNXCESA-N 233.336 2.954 30 40 BFEB C=C(C)CNC(=O)NC[C@H](C)c1cccs1 156534459 FHAQDBMGLDDDTG-JTQLQIEISA-N 238.356 2.727 30 40 BFEB O/N=C1\[C@H]2CC[C@@H](C2)[C@@H]1N1CCc2ccccc21 221913644 DDKRBZOPNHMSEE-PDVIITDNSA-N 242.322 2.678 30 40 BFEB COc1cccc2[nH]cc(/C(Cl)=N/O)c12 228914312 BLXLCESUSAVRDE-RAXLEYEMSA-N 224.647 2.551 30 40 BFEB C=C1N(Cc2ccccc2)C(=O)OC1(C)C 58453 MWQIFUSXLCQPJT-UHFFFAOYSA-N 217.268 2.931 30 40 BFEB O=C(O)CCC(=O)/C=C/C=C/c1ccccc1 4266293 BILYKLVOWSXGCX-KBXRYBNXSA-N 230.263 2.690 30 40 BFEB Cc1cccc(C(=O)Nc2cccc(C#N)c2)n1 13015533 NTKJZGBDTQJLLP-UHFFFAOYSA-N 237.262 2.514 30 40 BFEB C=C1CC(NC(=O)OCc2ccccc2)C1 38313185 HYOKBMVQTGNOCY-UHFFFAOYSA-N 217.268 2.631 30 40 BFEB in-vitro C=CCCC(=O)NCc1ccc(N(C)C)c(C)c1 71896281 IQSKQMUGOGUUFG-UHFFFAOYSA-N 246.354 2.643 30 40 BFEB CC(C)c1ccc([C@@H](C)CC(=O)NCC#N)cc1 96414365 UFDYIQOZQOHVQY-LBPRGKRZSA-N 244.338 2.943 30 40 BFEB C=CCCC(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C 195579020 MENCDQYKGOTJRY-WOPDTQHZSA-N 209.333 2.846 30 40 BFEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1scnc1C 620315174 ZYXBABMRNFXXHI-PHIMTYICSA-N 248.351 2.775 30 40 BFEB CCCCCCCCS(=O)(=O)OCC 1602573 ZCJYORWBZJFKRF-UHFFFAOYSA-N 222.350 2.713 30 40 BFEB CCOP(=O)(Cc1ccc(C#N)o1)OCC 2362340 DSDKLVDAARLREG-UHFFFAOYSA-N 243.199 2.917 30 40 BFEB C[C@H]1CCCCN1C(=O)c1cccc(C#N)c1 3433852 ADOZXLWPUGNEPA-NSHDSACASA-N 228.295 2.573 30 40 BFEB Oc1ccccc1/C=N\N=C\c1ccccc1O 4721548 STOVYWBRBMYHPC-CKOAPEAFSA-N 240.262 2.551 30 40 BFEB CC(=O)/C(Cl)=N/Nc1ccccc1Cl 8383118 GDHYSSOCKWDUHA-LCYFTJDESA-N 231.082 2.893 30 40 BFEB N#C[C@H](NCc1ccccc1)c1ccco1 12649909 PLCSCHUOQPWQPN-LBPRGKRZSA-N 212.252 2.634 30 40 BFEB Cc1ccc([C@@H]2CC(=O)C=C(O)C2)cc1 18154451 VBBBVMOMEYQBNU-NSHDSACASA-N 202.253 2.883 30 40 BFEB C=C(C)CN(CC)C(=O)c1ccc(C#N)cc1 19507270 YKTLVSBLNYJBBL-UHFFFAOYSA-N 228.295 2.596 30 40 BFEB Cc1cc(-c2ccccc2F)c(C#N)c(N)n1 19857330 LXMIJIDWHKYNHP-UHFFFAOYSA-N 227.242 2.650 30 40 BFEB CCCCCCCCCCNCCO 43587412 PJNIZPXBKOEEGD-UHFFFAOYSA-N 201.354 2.709 30 40 BFEB in-vitro CCN(CC)CC#Cc1cccc(F)c1 95632453 BTIHZXFXTFZQPJ-UHFFFAOYSA-N 205.276 2.519 30 40 BFEB C#CCC1CCN(C(=O)OC(C)(C)C)CC1 95762090 CHTFWVDBUXUMCE-UHFFFAOYSA-N 223.316 2.657 30 40 BFEB O=CC(C=O)c1ccc(-c2ccccc2)cc1 100000534 XUUQGMCYFDBDJI-UHFFFAOYSA-N 224.259 2.835 30 40 BFEB in-vitro N#Cc1ccc(CN[C@H]2CCC[C@H]2F)c(F)c1 334347723 XTAQMSAWCAXYJG-YPMHNXCESA-N 236.265 2.678 30 40 BFEB CCC(=O)Nc1sc(C)c(C)c1C#N 50642 ZUIQGUSDARLYJQ-UHFFFAOYSA-N 208.286 2.585 30 40 BFEB C[C@@H]1OC2=C(C(=O)c3ccccc3C2=O)C1(C)C 1615747 XWPLFOWMVZGBOX-QMMMGPOBSA-N 242.274 2.765 30 40 BFEB biogenic Cc1ccc(O)c([C@@H]2C[C@H](C#N)CCN2C)c1 5567059 YEGJVIHJYPGMMW-YPMHNXCESA-N 230.311 2.607 30 40 BFEB C=CCNCc1ccccc1Br 19876030 KHVDSCXXCUHJQS-UHFFFAOYSA-N 226.117 2.725 30 40 BFEB Cc1ccc(C2(C#N)CCOCC2)cc1 37382580 YOYKNEXALGUIJU-UHFFFAOYSA-N 201.269 2.567 30 40 BFEB in-vitro N#Cc1ccc2nc(C(F)F)cc(O)c2c1 96529387 XXNPJUGJNPQTCB-UHFFFAOYSA-N 220.178 2.750 30 40 BFEB CN(C)C(=O)CCCSc1ccccc1C#N 188029793 STRXJZYJMIPDLJ-UHFFFAOYSA-N 248.351 2.519 30 40 BFEB CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]2C#N)C1 216952815 HZWUQHSOFLEGHD-GXFFZTMASA-N 236.315 2.547 30 40 BFEB CCCOc1c(C#N)cccc1OCC 225289673 VLTSAAXWKQSUPV-UHFFFAOYSA-N 205.257 2.746 30 40 BFEB CCc1ccc(C#N)n1-c1cccc(C)n1 225303154 XESLKTPUNYHLIP-UHFFFAOYSA-N 211.268 2.615 30 40 BFEB N#CC12CC(c3nc4ccccc4o3)(C1)C2 575624218 PFAKCEKEPURKKQ-UHFFFAOYSA-N 210.236 2.773 30 40 BFEB N#CCSc1ncnc2sc3c(c12)CCC3 4163769 MOQMHJGLXRCFSU-UHFFFAOYSA-N 247.348 2.796 30 40 BFEB Oc1ccc(/C=N/C2CCCCC2)c(O)c1 13124254 UGMBMYJAUTUEJB-NTEUORMPSA-N 219.284 2.849 30 40 BFEB C(=N\c1ccccn1)\c1ccc2c(c1)OCO2 18037009 NWIWCBIZIZOGSA-NVNXTCNLSA-N 226.235 2.561 30 40 BFEB FC(F)(F)Oc1ccc([C@H]2CO2)cc1 19436446 NUVYGKYZDJEFEQ-MRVPVSSYSA-N 204.147 2.657 30 40 BFEB in-vitro N#CC1(C(=O)N2CCc3ccccc32)CCCC1 20962396 YRGGTPOBLYDJQR-UHFFFAOYSA-N 240.306 2.660 30 40 BFEB Cc1cc(Oc2ncccc2C#N)ccc1N 21964318 HTYJKVGGVLVPBC-UHFFFAOYSA-N 225.251 2.636 30 40 BFEB in-vitro N#C[C@H](C(=O)C1CC1)c1cccc(Cl)c1 36930584 ZERXDAPHPYHHMD-NSHDSACASA-N 219.671 2.926 30 40 BFEB COC1(OC)CC(C#N)(c2cc(C)ccc2C)C1 685937476 WSSFCZUGRUMZLV-UHFFFAOYSA-N 245.322 2.848 30 40 BFEB Cc1ccccc1/C=N/c1cccc(C(N)=O)c1 296993 HIZOTQDRBRNSDO-LICLKQGHSA-N 238.290 2.845 30 40 BFEB CSC(=S)N/N=C(\C)c1ccccc1 4863442 DAMFAIOELYWARL-DHZHZOJOSA-N 224.354 2.648 30 40 BFEB in-vitro C#CCN[C@@H](C)c1cccc(Br)c1 19875437 JFTPFADHYPKUQB-VIFPVBQESA-N 238.128 2.733 30 40 BFEB CCCCCCCCCC[S@@](=O)CCO 33354303 FRMANNAMIQYSEN-HNNXBMFYSA-N 234.405 2.868 30 40 BFEB CN(C)c1nsc(-c2ccccc2)c1C#N 33815324 FXCODCXBGMIVBD-UHFFFAOYSA-N 229.308 2.748 30 40 BFEB N#Cc1c(N)cccc1SC(F)(F)F 36533723 VSESFVXQDYGDLQ-UHFFFAOYSA-N 218.203 2.752 30 40 BFEB CC[C@](C)(C#N)NC(=O)c1ccc(Cl)cc1 40357323 VFBNWYPWTZGNRN-GFCCVEGCSA-N 236.702 2.762 30 40 BFEB CCCCCN1C(=O)/C(=N\O)c2cc(C)ccc21 46085158 NLJXIFBOYUCYSX-SQFISAMPSA-N 246.310 2.710 30 40 BFEB C=C(Cl)CN(C)Cc1cccs1 69454498 FBWCQTDAMHASJD-UHFFFAOYSA-N 201.722 2.932 30 40 BFEB C#CCNC(=O)c1sccc1-c1ccccc1 78901402 KXQCHHUCLKEHBC-UHFFFAOYSA-N 241.315 2.778 30 40 BFEB CC(C)[C@H](O)C#Cc1cc(F)cc(Cl)c1 95633347 RJPSJLAAUHGHFH-GFCCVEGCSA-N 226.678 2.848 30 40 BFEB C[C@@H](Nc1cnn(C)c1)c1ccc(C#N)cc1F 157325001 WFSHEOOKZWMRDP-SECBINFHSA-N 244.273 2.604 30 40 BFEB Cc1ccc(Nc2ccc(C#N)nn2)cc1F 301912773 HGHKOAWSXJJAKV-UHFFFAOYSA-N 228.230 2.539 30 40 BFEB N#CCCOCC(Cl)=C(Cl)Cl 5368940 KKOSFCKDDTWZEK-UHFFFAOYSA-N 214.479 2.802 30 40 BFEB CC(C)CC(=O)Nc1cccc(C#N)c1 7265562 ZMVPCWLTUUBGAP-UHFFFAOYSA-N 202.257 2.543 30 40 BFEB O=[N+]([O-])c1cccc(/C=N\N=C/c2ccco2)c1 16919149 TUFHPZLBLIAGJU-QKPPEBSVSA-N 243.222 2.641 30 40 BFEB COc1ccccc1Nc1ccc(C#N)cc1N 35674464 LWGMAKDRSDBKHL-UHFFFAOYSA-N 239.278 2.893 30 40 BFEB CC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 84253 LHZQFLUQWCKPEJ-UHFFFAOYSA-N 243.291 2.640 30 40 BFEB CCOC(=O)[C@@H]1C(C)=CC(=O)C[C@@H]1CC(C)C 518203 ISHAANVVWNKWPI-WCQYABFASA-N 238.327 2.747 30 40 BFEB biogenic COc1ccc(N[C@@H](C#N)c2ccco2)cc1 3073887 OEZIPBDRTBQLBY-LBPRGKRZSA-N 228.251 2.965 30 40 BFEB N#Cc1cccc(NC(=O)[C@H]2CC=CCC2)c1 23623114 UAKWZKQFAKLLON-LBPRGKRZSA-N 226.279 2.853 30 40 BFEB CC(C)SCC(=O)c1ccc(C#N)cc1 37687608 MTISICPXPVWWDI-UHFFFAOYSA-N 219.309 2.883 30 40 BFEB CCO[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 42422278 GLCSIRRINDHYCQ-OAHLLOKOSA-N 244.338 2.559 30 40 BFEB CCCCCN1C(=O)/C(=N\O)c2c(C)cccc21 46085138 KIQIJCUCBCLRSU-SQFISAMPSA-N 246.310 2.710 30 40 BFEB C=CCCSc1nnc(C)n1CCC 89706883 OGDQKYIPCLYWTM-UHFFFAOYSA-N 211.334 2.665 30 40 BFEB CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]1C[C@@H]2C#N 953067722 WINXSOQPOOPJRB-GMTAPVOTSA-N 236.315 2.546 30 40 BFEB CSc1nccc(NN=C2CCCCC2)n1 6425467 VYWDKVNLGXOCPX-UHFFFAOYSA-N 236.344 2.931 30 40 BFEB C=CCOc1c(Cl)cc(CNC)cc1OC 6579009 LBMLZQKXGOVPKV-UHFFFAOYSA-N 241.718 2.633 30 40 BFEB COC(C)(C)C[C@H](C)NCc1ccc(C#N)cc1 37748363 NGQNPAOXRJCLQT-LBPRGKRZSA-N 246.354 2.851 30 40 BFEB CCC/C=C(\CC)[C@H]1O[C@H]1C(=O)OC(C)C 38206876 COVXIMCIMZBJSV-BXAYLQTHSA-N 226.316 2.842 30 40 BFEB C[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1F 44825176 ARCMYITXMSMPFA-LURJTMIESA-N 226.638 2.577 30 40 BFEB Cc1ccc(N(C)CC#N)c(Br)c1 49829493 SARVMOWXXVXAOG-UHFFFAOYSA-N 239.116 2.717 30 40 BFEB CCc1cc(Br)c(OC)c(C#N)c1 57339532 WBBPXIQDRPUSLS-UHFFFAOYSA-N 240.100 2.892 30 40 BFEB C=CCn1c(=N)sc2cc(F)ccc21 100968714 HTKKOPYICSLYLT-UHFFFAOYSA-N 208.261 2.507 30 40 BFEB C/N=C(/c1ccccc1)N(O)c1ccccc1 104113407 ORSZUZSZHSUGEK-PFONDFGASA-N 226.279 2.959 30 40 BFEB CCOc1ccc(Br)c(C#N)c1 168814856 TYWGEKZEQZOIIG-UHFFFAOYSA-N 226.073 2.719 30 40 BFEB CN1C(=O)/C(=N/c2ccccc2)c2ccccc21 226792864 LUEXNLDVPSVDKD-JQIJEIRASA-N 236.274 2.784 30 40 BFEB N#Cc1c(N)sc2cnc3ccccc3c12 675030978 SZKFLJOAMPQYDD-UHFFFAOYSA-N 225.276 2.903 30 40 BFEB Cc1ccc(Sc2nccnc2C#N)cc1 1383013 LISKWVAGALOUCX-UHFFFAOYSA-N 227.292 2.808 30 40 BFEB N=C(CS)NCC12CC3CC(CC(C3)C1)C2 5007977 IMSBTGCLUSHNQN-UHFFFAOYSA-N 238.400 2.699 30 40 BFEB O=C(CS)Nc1ccc(SC(F)F)cc1 5234507 XSVWNLPWVGJRIN-UHFFFAOYSA-N 249.307 2.870 30 40 BFEB C=CCN(/C=C\CN(CC=C)CC=C)CC=C 17301805 HDBQBOOGLFIDHO-ZROIWOOFSA-N 232.371 2.848 30 40 BFEB C=C(Cl)COc1ccc(C#N)cc1OC 19484855 HDOWAFKDYDVWOZ-UHFFFAOYSA-N 223.659 2.698 30 40 BFEB C=C(C)COc1ccc(-c2nnco2)cc1 69199406 ASZINEJXXUKIRP-UHFFFAOYSA-N 216.240 2.692 30 40 BFEB CCCN(CCC)c1ccc(/C=N/O)cn1 72225272 VCIDNSLWZALOGS-GXDHUFHOSA-N 221.304 2.516 30 40 BFEB Cc1nc(S)c(C#N)c2c1CC[C@H](C)C2 95117581 CHXFSOCZJLOTGB-ZETCQYMHSA-N 218.325 2.675 30 40 BFEB CC[C@@](C)(O)C#Cc1cc(C)cc(F)c1 95632249 BKCYWIVJDUSOLF-CYBMUJFWSA-N 206.260 2.647 30 40 BFEB CC1=NOC(=O)/C1=C/c1ccc(Cl)cc1 101497665 XKTCNDWKBSLGGV-UXBLZVDNSA-N 221.643 2.656 30 40 BFEB CC[C@H](C)n1c(C#N)cc(N)c1N1CCCCC1 225865162 GERYTGBMRFHGLP-NSHDSACASA-N 246.358 2.903 30 40 BFEB N#Cc1cccc(-n2cnc(Br)c2)c1 953069643 UMJBAIGTHCUUMX-UHFFFAOYSA-N 248.083 2.506 30 40 BFEB C[C@@H](CN(C)C)C(=O)/C=C/c1cccc(F)c1 1611362 ORZYYCXOZVDYBY-AEZGRPFRSA-N 235.302 2.606 30 40 BFEB C=CCOc1c(CC=C)cccc1C(=O)OC 1695066 YIBVZKMTJHJOND-UHFFFAOYSA-N 232.279 2.767 30 40 BFEB C=C(C)Cc1ccc(C(=O)OCC)cc1 2567487 AWGPVBBWNVSYNN-UHFFFAOYSA-N 204.269 2.982 30 40 BFEB Fc1ccc(N/N=C/c2cccnc2)c(F)c1 5161844 DIJQLFUUDNHTBF-LZYBPNLTSA-N 233.221 2.806 30 40 BFEB Cc1ccc(C#Cc2ccc([N+](=O)[O-])cc2)cn1 5337682 NHXUTRHOOIJEIF-UHFFFAOYSA-N 238.246 2.698 30 40 BFEB C=C(C)CNC(=S)N1CCCC[C@H]1CC 35585834 ZKCFEWBIZIUASR-LLVKDONJSA-N 226.389 2.702 30 40 BFEB N#Cc1cc(Br)cc2c(O)ccnc12 36532782 DHQQIOAJMOMPSG-UHFFFAOYSA-N 249.067 2.575 30 40 BFEB COC(=O)[C@@H]1O[C@@]12CCCC[C@H]2C(C)(C)C 84324282 GPGIASUOVDWLLN-OUJBWJOFSA-N 226.316 2.533 30 40 BFEB CC(C)c1nnc(NCc2cccc(C#N)c2)o1 95990029 KOKANOXMKRQXNP-UHFFFAOYSA-N 242.282 2.677 30 40 BFEB N#Cc1ccc(CN2C[C@@H]3CCC[C@H]3C2)cc1 148083566 OSGHVQXVYRCLLR-GJZGRUSLSA-N 226.323 2.790 30 40 BFEB CC(=O)C1=C([Si](C)(C)C)N=NC1(C)C 195759545 HXFFBFYWRYPSIY-UHFFFAOYSA-N 210.353 2.951 30 40 BFEB N#CCCSc1ccc2c(c1)CCC(=O)N2 218804036 GWTNPQCIZCTBMR-UHFFFAOYSA-N 232.308 2.577 30 40 BFEB N#Cc1ccc(NC(=O)c2ccccc2F)cc1 1504531 QJWYXDJUOXTQMK-UHFFFAOYSA-N 240.237 2.950 30 40 BFEB N#CCCOC(=O)Nc1cccc(Cl)c1 1640939 MPBQWHXSXRKKPK-UHFFFAOYSA-N 224.647 2.802 30 40 BFEB C[C@@H](O)C#Cc1cc(Cl)cc(Cl)c1 22203352 BJTWTEIEJRIJHH-SSDOTTSWSA-N 215.079 2.726 30 40 BFEB N#CCc1cccc(F)c1C(F)(F)F 38529604 UADIGAUUNBZPDF-UHFFFAOYSA-N 203.138 2.911 30 40 BFEB CN(CC#N)Cc1cc(Cl)ccc1Cl 83698551 POAPKCLNLFOQOK-UHFFFAOYSA-N 229.110 2.949 30 40 BFEB N#CCCCC(=O)c1cnccc1Cl 91676217 JKPATFYYMLSYFP-UHFFFAOYSA-N 208.648 2.612 30 40 BFEB C[C@H](C1CC1)N(CCC#N)Cc1ccncc1 95401532 RCJQWSGKAGXYFS-GFCCVEGCSA-N 229.327 2.596 30 40 BFEB Cc1cc(C)c(/N=C2\CCCN2C)c(C#N)c1 100647101 BRTDTMMWVNVOLY-DTQAZKPQSA-N 227.311 2.931 30 40 BFEB O/N=C1\[C@H]2CC[C@@H](C2)[C@@H]1n1cnc2ccccc21 100933960 CCDKTRCRBOOFBF-RZKPMEPISA-N 241.294 2.838 30 40 BFEB CC(C)CC(=O)N1c2ccccc2C=C[C@@H]1C#N 1718729 DDYOVAOSGFEDIV-CYBMUJFWSA-N 240.306 2.985 30 40 BFEB CCCC[C@H]1CC(=O)C=C(C)[C@H]1C(=O)OCC 1828444 BZLBWMNDZNYHDT-WCQYABFASA-N 238.327 2.891 30 40 BFEB biogenic Cc1cccc2cc(C#N)c(S)nc12 6533969 QNMGCEGRINDEJS-UHFFFAOYSA-N 200.266 2.704 30 40 BFEB C=C1C(=O)O[C@H]2C[C@H](C)C(CCC(C)=O)=CC[C@@H]12 14620389 AVFIYMSJDDGDBQ-HERUPUMHSA-N 248.322 2.810 30 40 BFEB biogenic,in-vitro C(=N/c1nnc[nH]1)\c1cccc2ccccc12 16526175 DVXLIIPIMNNLEB-RIYZIHGNSA-N 222.251 2.709 30 40 BFEB Cc1ccc(CCC=O)c(Br)c1 71533012 QFQHSCMKNYWNMP-UHFFFAOYSA-N 227.101 2.889 30 40 BFEB Cc1ccc(C)c(C#C[C@H](O)C(C)C)c1 95633584 MCQOYULCPHSKLP-AWEZNQCLSA-N 202.297 2.672 30 40 BFEB Cc1ccc(C#CC2(O)CCCC2)cc1C 95633617 GXCFWMONRWAARZ-UHFFFAOYSA-N 214.308 2.960 30 40 BFEB CCCCc1n[nH]c2c1/C(=N\O)CC(C)(C)C2 100319818 OMPGTQXPIWPXDQ-WJDWOHSUSA-N 235.331 2.903 30 40 BFEB C=CCOc1c(Cl)cc(CO)cc1OCC 409119598 SWZAPNVNWNMTAP-UHFFFAOYSA-N 242.702 2.796 30 40 BFEB CC[C@@]1(C)Cc2nc(Cl)c(C#N)cc2CO1 522012 XUHWEPPDKKDMRE-LBPRGKRZSA-N 236.702 2.848 30 40 BFEB N#C[C@@]1(OC(=O)c2ccccc2)Cc2ccccc21 3847988 JDTQIJSSPYWDOT-INIZCTEOSA-N 249.269 2.819 30 40 BFEB biogenic CC(C)=C/C=C1\O[C@@H]2CC(C)=CC(=O)[C@@H]2[C@]1(C)O 13377408 GNWNPLBSEQDDQV-FRPWFYLFSA-N 248.322 2.522 30 40 BFEB O/N=C1\CCCC[C@H]1[C@H](NO)c1ccccc1 17196985 RJSSJDYQRKHLLZ-CGWFSCRASA-N 234.299 2.727 30 40 BFEB CCC(CC)CS(=O)(=O)/N=C(\O)C1CCC1 79037093 NHMXPCXUGOUKOQ-UHFFFAOYSA-N 247.360 2.509 30 40 BFEB COc1ccc(C2(C#N)CC2)cc1Cl 106889272 PJFKKMKJEMSLAF-UHFFFAOYSA-N 207.660 2.904 30 40 BFEB C=CCCC(=O)c1ccc(OC)cc1OC 168411561 FUBAZFDBZNWJMZ-UHFFFAOYSA-N 220.268 2.853 30 40 BFEB Cn1cccc1/C=N\c1ccccc1F 409100922 XFILRNXWQFZKOW-ZROIWOOFSA-N 202.232 2.915 30 40 BFEB CCOc1cc(C#N)c(Cl)cc1OC 1007411 XNPAHVUHXIITFK-UHFFFAOYSA-N 211.648 2.619 30 40 BFEB CCCOc1ccc([C@@H](C#N)CC(=O)O)cc1 2289049 BLCPNZPMALVCGE-LLVKDONJSA-N 233.267 2.557 30 40 BFEB Cc1cccc(N/N=C/c2cccnc2)c1 3909712 QMUFGNDAHFSGSW-XNTDXEJSSA-N 211.268 2.836 30 40 BFEB Fc1ccccc1/C=N/Nc1ccncc1 6402670 CZRIWCITZIUORK-OQLLNIDSSA-N 215.231 2.667 30 40 BFEB CCN(CC)c1cc(C)c(C#N)c(Cl)n1 12411672 ATEZNIRMKCWIDX-UHFFFAOYSA-N 223.707 2.761 30 40 BFEB COCCC/N=C(/S)Nc1ccc(C)cc1 13658745 GJFYJXLTEZVURR-UHFFFAOYSA-N 238.356 2.729 30 40 BFEB OCCC[C@](F)(OC(F)(F)F)C(F)(F)F 16159368 IIBSDQLPUUEGOR-BYPYZUCNSA-N 244.106 2.523 30 40 BFEB CCc1nc(C#N)c(NCc2ccc(F)cc2)o1 26532435 AKJKGTCUZKXBPC-UHFFFAOYSA-N 245.257 2.860 30 40 BFEB N#Cc1cc(F)cc(OC(F)(F)F)c1 91252274 WACIMAFLAUYVCN-UHFFFAOYSA-N 205.110 2.596 30 40 BFEB CC(C)(C)OC(=O)N1CCCCC[C@H]1C#N 95347718 GYWDFCQVQPLIGZ-JTQLQIEISA-N 224.304 2.690 30 40 BFEB CC(C)[C@H]1Cc2nc(Cl)c(C#N)cc2CO1 521888 CQCZZYGIOZGWPL-LLVKDONJSA-N 236.702 2.704 30 40 BFEB CCc1nnc(/N=C/c2ccccc2O)s1 549555 MSIVJLCJPGYJLI-KPKJPENVSA-N 233.296 2.557 30 40 BFEB O/N=C/c1c(-c2ccccc2)nc2sccn12 1575749 ZDHZMNLEASUBCM-MDWZMJQESA-N 243.291 2.871 30 40 BFEB N#CC(C#N)[C@@H](C#N)/C=C\c1ccccc1 12494928 XXPBBNYOUHAIEJ-ZHRWSRJISA-N 207.236 2.503 30 40 BFEB CC(C)(C)CC(=O)Nc1ccc(OCC#N)cc1 23228521 KNYFSCOHTBLGHN-UHFFFAOYSA-N 246.310 2.964 30 40 BFEB N#Cc1csc(/C=C/c2ccnnc2)c1 95434384 QSDKRWKCDVDKRS-OWOJBTEDSA-N 213.265 2.580 30 40 BFEB CCc1ccc(C#C[C@](C)(O)CC)cc1 95632157 XBMSKXWVBOQCMD-CQSZACIVSA-N 202.297 2.762 30 40 BFEB C[C@@H](O)CC#Cc1cc(F)cc(Cl)c1 95633345 JMQCRWBNGUAVLC-MRVPVSSYSA-N 212.651 2.602 30 40 BFEB Cc1cc(N/C=C/C(=O)c2cccs2)[nH]n1 100151851 XFDFVWRJKZKYRL-SNAWJCMRSA-N 233.296 2.588 30 40 BFEB Oc1ccc(/N=C\c2ccccc2O)cc1 104035069 POLJRSQMPKDDIY-ZROIWOOFSA-N 213.236 2.848 30 40 BFEB C=CC[C@@]12CCC(=O)C=C1CCCC2=O 287647 HBBRHQLTEFRJFN-CYBMUJFWSA-N 204.269 2.591 30 40 BFEB Cc1ccc(/C=N/Nc2nc3ccccc3[nH]2)o1 5322607 XQMIKHWLCVPCNH-RIYZIHGNSA-N 240.266 2.910 30 40 BFEB Oc1ccc(/N=C/c2ccc(O)c(O)c2)cc1 13130601 BPPUBTDIFQTARU-RIYZIHGNSA-N 229.235 2.554 30 40 BFEB aggregator O=C1CCCC(O)=C1C(=O)c1ccccc1F 34416839 XPPXFOPYSJHEKS-UHFFFAOYSA-N 234.226 2.574 30 40 BFEB C#CCNC(=O)c1oc2c(Cl)cccc2c1C 78810594 FWWZLOCSAKPRGA-UHFFFAOYSA-N 247.681 2.758 30 40 BFEB N#C[C@H](C(=O)CC1CCCC1)c1ccc(F)cn1 80419242 VTWFMJWXNKULEW-LBPRGKRZSA-N 246.285 2.977 30 40 BFEB CCSCC[C@@H](C)N(C)c1cc(C#N)ccn1 283777760 PURONNJSMYMCQW-LLVKDONJSA-N 249.383 2.921 30 40 BFEB CON=Cc1cc(Br)ccc1F 307947547 LCABLQBLYCGYBH-UHFFFAOYSA-N 232.052 2.569 30 40 BFEB Cc1c(O)ccc2c1O/C(=C/c1ccco1)C2=O 2228197 NPAJCGAJYRKEKV-KPKJPENVSA-N 242.230 2.910 30 40 BFEB O=C(/C=C/c1ccccc1)ONCc1ccco1 6222577 UGQWCTMEWUILMO-CMDGGOBGSA-N 243.262 2.541 30 40 BFEB Fc1cccc(N/N=C/c2ccccn2)c1 6283674 BDEPEDGALUUUHF-OQLLNIDSSA-N 215.231 2.667 30 40 BFEB C[C@H]1CCC[C@@H](C)N1/N=C/c1ccc(O)cc1 12417477 OYEOHKHOGJSXGY-DGOSSHJLSA-N 232.327 2.989 30 40 BFEB C1=C[C@@H]2/C(=N\Nc3nc4ccccc4[nH]3)C[C@H]2C1 12528708 SSDXASMVKDBABN-MYYLSFPCSA-N 238.294 2.927 30 40 BFEB O=C[C@@H]1C[C@H]1c1ccc(Br)cc1 59858595 NLMMXUBXFPXMCD-WPRPVWTQSA-N 225.085 2.752 30 40 BFEB C=CC[C@@](C#N)(C(=O)OCC)/C(C)=C/CC 1716513 YLNSVSVUJNMTES-YKWSONSWSA-N 221.300 2.992 30 40 BFEB CC[C@@H](CN)C(F)(F)C(F)(F)C(F)(F)F 6411892 WQFBZQWBHJSFSD-BYPYZUCNSA-N 241.150 2.804 30 40 BFEB N#CC(C#N)/N=N/c1ccccc1Cl 17286689 ZRNJZQRMCMICTL-BUHFOSPRSA-N 204.620 2.839 30 40 BFEB CC(C)(C)OC(=O)N[C@@H](C#N)C1CCCCC1 34781614 IPQSTKYLMJDRAL-NSHDSACASA-N 238.331 2.984 30 40 BFEB C=CCN(Cc1ccnn1C)c1ccccc1 191971880 DATCYUNHRUGSMU-UHFFFAOYSA-N 227.311 2.613 30 40 BFEB C[Si](C)(C)C#Cc1cccc2c1OCCO2 217570861 YUTXKDPQAKKWTD-UHFFFAOYSA-N 232.355 2.687 30 40 BFEB Cc1ccc(Cc2ccc(C#N)n2C)cc1 226029181 RMRNWABWJKCZJJ-UHFFFAOYSA-N 210.280 2.796 30 40 BFEB CCCCCCCCC[C@]1(C)NC(=O)NC1=O 1652262 UUPOKCDCMNTJLL-ZDUSSCGKSA-N 240.347 2.725 30 40 BFEB CC(C)(C)OC(=O)[C@@H]1O[C@]1(C)c1ccccc1 1708634 CTGZYSALYIKEQC-SMDDNHRTSA-N 234.295 2.642 30 40 BFEB N#C[C@H](Nc1ccccc1)c1ccccn1 6732160 UCPRBCNEOGYFEY-ZDUSSCGKSA-N 209.252 2.758 30 40 BFEB in-vitro COc1cccc(C(=O)/C=C/c2ccccn2)c1 34103229 LDLLBUNUGIFMJK-CMDGGOBGSA-N 239.274 2.986 30 40 BFEB CCCCCN/N=C1/C(O)=Nc2ccc(F)cc21 54888847 MKPYJZXAXVTMHU-UHFFFAOYSA-N 249.289 2.911 30 40 BFEB O=CCCc1cc(F)c(F)c(Cl)c1 228904413 ZHNDSWDFYVLPDI-UHFFFAOYSA-N 204.603 2.750 30 40 BFEB Cc1ccc2c(c1)[C@]1(C)C=CC(=O)C[C@H]1O2 338951 RGTPQXAKJODXMX-KGLIPLIRSA-N 214.264 2.543 30 40 BFEB CCN(CC)C(=O)/C(=C\c1ccccc1)C(C)=O 5925735 VNIBVBFPSPMYCH-KAMYIIQDSA-N 245.322 2.527 30 40 BFEB N#Cc1ccsc1NC(=O)[C@H]1CC=CCC1 6881578 YLKIHSFDEKOUOI-VIFPVBQESA-N 232.308 2.915 30 40 BFEB Cc1ccc(C(=O)/C=C/c2cnn(C)c2)s1 12888199 UUNMCYIRTKJINN-SNAWJCMRSA-N 232.308 2.686 30 40 BFEB Cc1ccc(C(=O)Nc2ccccc2C#N)cn1 19472716 CZDFZWAQRKBUEG-UHFFFAOYSA-N 237.262 2.514 30 40 BFEB N#Cc1ccc(CNc2cccnc2)cc1 19884331 HHGPHGPHTBQZIN-UHFFFAOYSA-N 209.252 2.565 30 40 BFEB N#C[C@H](N)c1ccc(Cl)c(Cl)c1 22178316 OIJOTGFCYGNHDS-QMMMGPOBSA-N 201.056 2.517 30 40 BFEB C(=N\Nc1ccccc1)\c1ccc2c(c1)OCO2 31343223 BXPJESDAKFUKSF-DHDCSXOGSA-N 240.262 2.861 30 40 BFEB N#CCCCN1CCC[C@@H]2CCCC[C@H]21 35174418 HWNDORSIEYMORI-QWHCGFSZSA-N 206.333 2.945 30 40 BFEB CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@]1(C)CO1 42331929 DZFWGPZAYORATG-GXFFZTMASA-N 241.331 2.565 30 40 BFEB CC1(C)/C(=N/O)[C@]2(Br)CC[C@@H]1C2 103697437 PCCIVERFSVHDBB-ZUDGNSODSA-N 232.121 2.790 30 40 BFEB C=C(C)CNC(=O)Nc1ccnc(SC)c1 195571189 ZFVVEZSITGCEFZ-UHFFFAOYSA-N 237.328 2.501 30 40 BFEB N#C[C@@H]1C[C@]12CSc1ccccc1C2=O 1391212 VTKZMSZKRMWIER-UFBFGSQYSA-N 215.277 2.505 30 40 BFEB OC1(C#Cc2ccccc2)CCCCC1 1509320 LBEMYSKBSYEVAG-UHFFFAOYSA-N 200.281 2.733 30 40 BFEB biogenic COc1ccc(C2=CC(=O)[C@@](C)(C#N)CC2)cc1 1758355 DADUAZNFXZZKRI-OAHLLOKOSA-N 241.290 2.971 30 40 BFEB CN(Cc1ccccc1)c1ccc(C#N)cc1N 35674222 LIWBEEQBAOWMML-UHFFFAOYSA-N 237.306 2.777 30 40 BFEB C[C@@H](NCC#N)c1ccc(C(F)(F)F)cc1 97230676 IQHFWTIYCNMCAZ-MRVPVSSYSA-N 228.217 2.880 30 40 BFEB CC12C[C@@H]3C[C@@H](C1)CC(C(/C=N/O)=N/O)(C3)C2 100696210 SRKGMMGPXWMXFH-DLGQAXEGSA-N 236.315 2.883 30 40 BFEB C[C@H]1CCC[C@H](C)N1/N=C/c1ccc(O)cc1 3296475 OYEOHKHOGJSXGY-ZQVVPALOSA-N 232.327 2.989 30 40 BFEB C/C=C(/C)[C@@](C#N)(CCC)C(=O)OCC 17162205 VTSXSFDYXGOMAM-GYGFLDJKSA-N 209.289 2.826 30 40 BFEB CCCCNc1nc2c(cc1C#N)CCC2 44346728 DLXQGJSYSFYSNS-UHFFFAOYSA-N 215.300 2.654 30 40 BFEB Cc1cc(C#N)cnc1N1CCc2ccccc21 72222893 LDEJUWDKBSCTQP-UHFFFAOYSA-N 235.290 2.956 30 40 BFEB CCO[C@H](C)OCC#Cc1ccc(CC)cc1 95632160 ZJWDRQKGTMTNLO-ZDUSSCGKSA-N 232.323 3.000 30 40 BFEB N#Cc1csc(CNc2ccc(F)cn2)c1 97045331 VVIPVYGNGUFMDI-UHFFFAOYSA-N 233.271 2.766 30 40 BFEB N#CCCn1ncnc1-c1ccccc1Cl 98014300 SHOTWIBLDZMFAW-UHFFFAOYSA-N 232.674 2.512 30 40 BFEB O/N=C\c1cc(Cl)cc(Cl)c1O 100303564 SHGLQTKOGKFLAS-KMKOMSMNSA-N 206.028 2.507 30 40 BFEB Cc1ccc(NC(=O)C2(C#N)CC2)cc1C 156833291 IKTAIRANUILLNX-UHFFFAOYSA-N 214.268 2.546 30 40 BFEB C#CC[C@@](C)(O)c1cccc(C(F)(F)F)c1 575447618 LTKYXOFDKAZRIE-LLVKDONJSA-N 228.213 2.936 30 40 BFEB N#Cc1cc(Cl)cc(Br)c1O 11962142 JYARGJYZFXIQPF-UHFFFAOYSA-N 232.464 2.680 30 40 BFEB C[C@@H](Nc1ncccn1)c1ccc(C#N)cc1 32923538 IEJACSOMPHPMKK-SNVBAGLBSA-N 224.267 2.521 30 40 BFEB COC(=O)[C@]1(C)O[C@]1(C)c1ccccc1Cl 85657734 AXURWAIICNXNSI-NEPJUHHUSA-N 240.686 2.517 30 40 BFEB CCOc1ccc(Br)cc1/C=N\O 100221986 OHTNAXRFUOZZOB-WDZFZDKYSA-N 244.088 2.656 30 40 BFEB CC(C)n1nc(C2CCCCC2)c(C#N)c1N 225831217 QDUDZPYAPBUMJL-UHFFFAOYSA-N 232.331 2.966 30 40 BFEB CCC(=O)/C=C/c1ccc(N(C)C)cc1 1564023 CLEHEFDSYKVXJQ-JXMROGBWSA-N 203.285 2.745 30 40 BFEB CCCC/C=C(\C)[C@](C)(C#N)C(=O)OC 1716509 OJHQJXCNQSAKQM-OANVXVOSSA-N 209.289 2.826 30 40 BFEB Cc1cc(C(=O)CC#N)c(C)n1CC(F)(F)F 2651782 AFSJCINRPRZHCC-UHFFFAOYSA-N 244.216 2.764 30 40 BFEB CC[C@@H]1S/C(=N\c2cccc(C)c2C)NC1=O 6870816 VVNZJPUCSXBNNO-NSHDSACASA-N 248.351 2.933 30 40 BFEB N#Cc1ccc(NC(=O)N2CCCCCC2)cc1 12916888 VFWHVAKKTHHCBO-UHFFFAOYSA-N 243.310 2.966 30 40 BFEB Cn1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cn1 14179282 ITJDBBCEPVNRHK-GORDUTHDSA-N 248.232 2.594 30 40 BFEB N#Cc1ccc(-c2ccccc2)c(C#N)c1N 16492899 GSCWNBLPRUNQKT-UHFFFAOYSA-N 219.247 2.679 30 40 BFEB [N-]=[N+]=Nc1c(F)c(F)c(N)c(F)c1F 22049607 JRTIIUJTWGUHFO-UHFFFAOYSA-N 206.102 2.767 30 40 BFEB in-vitro N#Cc1cc(N2CCCC2)c2ccccc2n1 67172054 LHAMLKJHXBBYMR-UHFFFAOYSA-N 223.279 2.707 30 40 BFEB N#Cc1cccc(-c2nc(-c3ccccn3)no2)c1 8977 KZOBYFBUONCLFZ-UHFFFAOYSA-N 248.245 2.670 30 40 BFEB C=C(Br)C[N+](CC)(CC)CC 1639288 JRLHVLADHCDQPI-UHFFFAOYSA-N 221.162 2.772 30 40 BFEB Cc1ccoc1C(=O)OCc1ccccc1C#N 16417011 YMEKVMYUKWEPDW-UHFFFAOYSA-N 241.246 2.817 30 40 BFEB Clc1ccccc1/N=C1\NCCS1 18085055 UYQJIPRKMULWTC-UHFFFAOYSA-N 212.705 2.664 30 40 BFEB in-vitro CCCn1cc(C(=O)OCC#N)c2ccccc21 64177410 LCRZUGASGQFPDM-UHFFFAOYSA-N 242.278 2.732 30 40 BFEB Cc1[nH]nc2c1/C(=N\O)C[C@H](c1ccccc1)C2 13479156 ITLUALADFBZOPF-XSKXUOKSSA-N 241.294 2.626 30 40 BFEB CC1=C(/C=C\C(C)=N\N=C(N)N)C(C)(C)CCC1 17376399 ZEWDNOFNNKZKDB-IOERDVGBSA-N 248.374 2.719 30 40 BFEB Cc1ccc(C#C[C@H](O)C(C)C)cc1C 95633630 ALGNTWNKAJPKFM-AWEZNQCLSA-N 202.297 2.672 30 40 BFEB N#CCCNCc1cc(Cl)ccc1Cl 96511392 COFZQGWSNXJLEH-UHFFFAOYSA-N 229.110 2.997 30 40 BFEB O/N=C1/CCC[C@@H]1N1CCCc2ccccc21 100986920 WKHGUDQTJHQWHU-UZFBZYOGSA-N 230.311 2.822 30 40 BFEB N#Cc1cccn1-c1nc2ccccc2s1 160017587 RXNDDIIMQHYOOP-UHFFFAOYSA-N 225.276 2.959 30 40 BFEB CCn1c(C#N)cc(N)c1Oc1ccccc1 225878491 KNDICDOOIFZPLF-UHFFFAOYSA-N 227.267 2.754 30 40 BFEB COc1ccnc(Nc2ccccc2)c1C#N 1387785 ORPLFENMWIXAIQ-UHFFFAOYSA-N 225.251 2.705 30 40 BFEB C#C[C@H](O)c1ccc(Cl)cc1Cl 1596795 ZKTZQWUICGZQHL-VIFPVBQESA-N 201.052 2.660 30 40 BFEB CCOC(=O)N1c2ccccc2C=C[C@@H]1C#N 1718217 QFAHEDSFVHOFGW-LLVKDONJSA-N 228.251 2.568 30 40 BFEB CCCCCCCCNC1=NC(=O)CS1 8829618 DCWBBSPAQFGMAZ-UHFFFAOYSA-N 228.361 2.566 30 40 BFEB C=C(C)COC(=O)c1[nH]c(C)c(C(C)=O)c1C 9721404 HYQKLFNUMHTJHW-UHFFFAOYSA-N 235.283 2.567 30 40 BFEB C[C@H](NC(=S)Nc1ccccc1C#N)C1CC1 44057669 STPASLQCBONRBP-VIFPVBQESA-N 245.351 2.643 30 40 BFEB N#CC1(c2cc(Br)ccn2)CCC1 95629702 WXQKLBXTWCBKHN-UHFFFAOYSA-N 237.100 2.789 30 40 BFEB CC(C)[C@@H](C#N)N1CCC[C@H](C(F)(F)F)C1 96509838 FNGPWPLVMLHACB-VHSXEESVSA-N 234.265 2.809 30 40 BFEB C#Cc1cccc(OCC(=O)c2ccccc2)c1 199744151 FSPCNNLQSFPFAQ-UHFFFAOYSA-N 236.270 2.930 30 40 BFEB N#Cc1ccccc1NC(=O)c1cccc(F)c1 341711 DEUIUQGHZGQJOW-UHFFFAOYSA-N 240.237 2.950 30 40 BFEB CCC/N=C/c1cc2ccc(C)cc2[nH]c1=O 9424356 TXKIIIRJYIGRAY-OQLLNIDSSA-N 228.295 2.665 30 40 BFEB N#CCc1c[nH]c2c(Br)cccc12 35635639 WBQLSWJJXNSNJL-UHFFFAOYSA-N 235.084 2.996 30 40 BFEB C=C(C)CN(CC)C[C@@H](O)c1ccccc1 44866729 DJWCXNOSKAOFRV-CQSZACIVSA-N 219.328 2.618 30 40 BFEB N#Cc1ccnc2cc(Br)ccc12 83332122 UMRQVJLWZSVMMU-UHFFFAOYSA-N 233.068 2.869 30 40 BFEB C#CCNc1cccc(NC(=O)OCC)c1C 85274064 PZLFBXCMJWAGSF-UHFFFAOYSA-N 232.283 2.609 30 40 BFEB CCOc1ccc(C#CCO[C@H](C)OCC)cc1 95632066 KCBYTAVPLJNTHB-CYBMUJFWSA-N 248.322 2.836 30 40 BFEB CCCCCCCCCc1n(O)cc[n+]1[O-] 103009051 AUHHJYAIEWXBHR-UHFFFAOYSA-N 226.320 2.652 30 40 BFEB O=[N+]([O-])c1ccc(/N=C\[C@H]2CCC=CO2)cc1 104365888 YVNSLTWZBTYCNC-FNWMBBJUSA-N 232.239 2.990 30 40 BFEB CCOC(=O)[C@@H](C#N)c1ccc(Cl)cc1F 1776010776 GPNQWGUUTKBLEW-VIFPVBQESA-N 241.649 2.649 30 40 BFEB N#Cc1ccc(-c2cn3ccsc3n2)cc1 15043138 IMHNMHBXEGRBRX-UHFFFAOYSA-N 225.276 2.934 30 40 BFEB N#Cc1cccc(CNCCc2cccs2)c1 19948678 ZOQIZVDQIPOLRE-UHFFFAOYSA-N 242.347 2.952 30 40 BFEB CC(C)Cc1nc(C#N)c(NCc2ccco2)o1 27061392 WKKRNVZEYGPYKK-UHFFFAOYSA-N 245.282 2.950 30 40 BFEB C=CCN(C(=O)[C@@H]1C[C@H]1C)c1ccccc1 71186268 SUHYTVGQTVCYTK-DGCLKSJQSA-N 215.296 2.862 30 40 BFEB N#C[C@H]1CCCC[C@@H]1OC(=O)c1ccoc1 71883863 OHSLNKRPXXEFTF-KOLCDFICSA-N 219.240 2.519 30 40 BFEB C=C(C)[C@H]1CCCN1C(=O)OC(C)(C)C 72207958 WYGWDWVOEABTCU-SNVBAGLBSA-N 211.305 2.962 30 40 BFEB C=CCn1cc(C(C)(C)C)cc1C(=O)O 78404939 KDKGDJQXKXMFIM-UHFFFAOYSA-N 207.273 2.670 30 40 BFEB C[C@@H]1CCC[C@H](Cn2ccnc2C#N)C1 97376709 DFZUBTLBFYYBJQ-MNOVXSKESA-N 203.289 2.581 30 40 BFEB C=C(C)C(=O)OC/C=C/c1ccccc1 1577289 QJAIDMRTITZOLC-RMKNXTFCSA-N 202.253 2.819 30 40 BFEB CCCCCc1ccc(C(=O)NO)cc1 5259969 ICJGSZVCVZYRLB-UHFFFAOYSA-N 207.273 2.538 30 40 BFEB O=[N+]([O-])c1ccc(/C(=N/O)c2ccccc2)cc1 5278354 LNOLJFCCYQZFBQ-BUHFOSPRSA-N 242.234 2.821 30 40 BFEB N#C[C@H](c1c[nH]c2ccccc12)N1CCCC1 19795658 YKSGJXAQYQUFJD-CQSZACIVSA-N 225.295 2.828 30 40 BFEB N#Cc1cc(N)ccc1NCc1ccc(F)cc1 20134986 ARDLUQXSEVBWDB-UHFFFAOYSA-N 241.269 2.892 30 40 BFEB C[C@@H]1CCCC[C@@H]1NC(=O)C1(C#N)CCCC1 44290546 SNMSYEXEBXQHRC-NEPJUHHUSA-N 234.343 2.765 30 40 BFEB C=C(C)CN(CC)Cc1nnc(C(C)(C)C)o1 46837907 KAQQZOJAJZVZRK-UHFFFAOYSA-N 237.347 2.765 30 40 BFEB CCC[C@@H](C)C(=O)[C@@H](C#N)c1nc(C)cc(C)n1 76089988 DJJZEVCTYWJREK-BXKDBHETSA-N 245.326 2.706 30 40 BFEB C=CCNC(=O)NC(C)(C)c1cccc(F)c1 77537775 ANXWYYYDLJVWSI-UHFFFAOYSA-N 236.290 2.546 30 40 BFEB N#Cc1nccc2cc(Br)ccc12 82766657 NOTGHQFEQASFGA-UHFFFAOYSA-N 233.068 2.869 30 40 BFEB in-vitro CCO[C@@H](C)OCC#Cc1ccc(F)cc1C 95632298 OZLCRCMQUUAPQD-GFCCVEGCSA-N 236.286 2.885 30 40 BFEB CC[C@@](C)(O)C#Cc1cc(F)cc(Cl)c1 95633309 DOFYSGGXZHKCIN-GFCCVEGCSA-N 226.678 2.992 30 40 BFEB O=C1CCCC/C1=N\Nc1ccccc1 100084434 JKGRWIYJFZVNFM-SDNWHVSQSA-N 202.257 2.598 30 40 BFEB N#CC1(O[C@@H]2CCCCO2)Cc2ccccc2C1 4972425 DURQZMZVCBQYOT-CQSZACIVSA-N 243.306 2.591 30 40 BFEB C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(\C)CC[C@@H]12 32106796 XQVSREKNQZKAKU-RZPRNJIHSA-N 248.322 2.522 30 40 BFEB biogenic,in-vitro N#CCC(=O)c1cccn1Cc1ccc(F)cc1 85396839 QYAUSGWBGYQAAU-UHFFFAOYSA-N 242.253 2.772 30 40 BFEB CNc1oc([C@@H]2C[C@@H]2c2ccccc2)nc1C#N 96346143 GGNLZMFFWPYLHL-GHMZBOCLSA-N 239.278 2.859 30 40 BFEB CC[C@H](C)n1c(C#N)ccc1CCOC 226030450 KEJXNOLAQSMJKD-JTQLQIEISA-N 206.289 2.520 30 40 BFEB COc1ccccc1/N=C/c1cccn1C 409106358 RNEJZGHHYMOCAT-GXDHUFHOSA-N 214.268 2.784 30 40 BFEB CCOC(=O)[C@H](C#N)c1ccc(F)c(Cl)c1 1776010839 QCLORTSHECPBLE-MRVPVSSYSA-N 241.649 2.649 30 40 BFEB NC1=C(C(=O)c2ccccc2)CCCC1 31749174 FRIRJFAKYICOBP-UHFFFAOYSA-N 201.269 2.656 30 40 BFEB N#Cc1c(F)cccc1NCc1ccccn1 35134928 OPJRALOUMIOSJK-UHFFFAOYSA-N 227.242 2.704 30 40 BFEB N#CCCN(C(=O)CC1=CCCCC1)C1CC1 71916123 OCOOFLHCCWHZLZ-UHFFFAOYSA-N 232.327 2.782 30 40 BFEB C#CCN[C@@H](C)c1ccc(Br)cc1 19875435 COILKWAEBVWUEJ-VIFPVBQESA-N 238.128 2.733 30 40 BFEB C=CCNCc1c(O)ccc2ccccc12 19875782 UUIZZAFYRQTSEG-UHFFFAOYSA-N 213.280 2.821 30 40 BFEB COc1c(Cl)cc(C#N)cc1Br 26508539 IMYCGQRDIXXSHG-UHFFFAOYSA-N 246.491 2.983 30 40 BFEB N#Cc1ccc2c(c1)[C@@H]1CCC[S@@]1(=O)=N2 1503350605 DODDSMNPOPGJFY-NHYWBVRUSA-N 218.281 2.506 30 40 BFEB CCOC(=O)N1C=Cc2ccccc2[C@@H]1C#N 178031 DCPDHZLDXSZNNW-LBPRGKRZSA-N 228.251 2.694 30 40 BFEB C=C(C)[C@H]1CC[C@@]2(C)CCC(=O)C[C@]2(O)C1 4974874 IPKALXMMEORCDC-FPMFFAJLSA-N 222.328 2.853 30 40 BFEB N#Cc1c(N)nc2c(c1-c1ccccc1)CCC2 19373975 YLTPUFCLFDASLC-UHFFFAOYSA-N 235.290 2.691 30 40 BFEB C/C(=N\O)c1sc(C(C)(C)C)nc1C 32627271 XJQHTPYTEOSMGK-KPKJPENVSA-N 212.318 2.947 30 40 BFEB in-vitro CCCCC[C@H]1CC(=O)C=C(C)[C@H]1C(=O)OC 100472542 UCVHXLNJLVTIKO-WCQYABFASA-N 238.327 2.891 30 40 BFEB N#Cc1ccc(C(F)(F)F)c(Cl)n1 260636120 UBHHYJABPICCHS-UHFFFAOYSA-N 206.554 2.625 30 40 BFEB O=C1C=CC2=C3CC[C@@H]4CCC[C@@H]4N3CCC2=C1 377843638 AFZUMYMXNCDSQR-NHYWBVRUSA-N 241.334 2.974 30 40 BFEB in-man C(=N/N1CCCCCC1)\c1ccccc1 1631175 XFZXAVXWXIAIKO-WYMLVPIESA-N 202.301 2.897 30 40 BFEB N#CCC(=O)Nc1ccc(SC(F)F)cc1 3193492 LPJHGYHDEVGPTG-UHFFFAOYSA-N 242.250 2.853 30 40 BFEB C=CCn1cnnc1SCc1ccc(F)cc1 32731668 AGLBEMAVWORUKA-UHFFFAOYSA-N 249.314 2.896 30 40 BFEB CN(CC#N)Cc1ccc(Cl)cc1Cl 44296925 QZFLFMVBRYJDCB-UHFFFAOYSA-N 229.110 2.949 30 40 BFEB C=CCOc1ccc(C(F)(F)F)cc1C(=O)O 54552720 KSPBLJDCELRAAM-UHFFFAOYSA-N 246.184 2.968 30 40 BFEB in-vitro C=C(Cl)CNCc1c[nH]nc1C(C)(C)C 76017870 VIAYNNFRUZIIOI-UHFFFAOYSA-N 227.739 2.549 30 40 BFEB C=CCN(C(=O)Nc1nc(C)cs1)C1CC1 95458800 IZBBPPLRZYMIKE-UHFFFAOYSA-N 237.328 2.634 30 40 BFEB CCOC(=O)/C(Cl)=N\Nc1ccccc1C 95696962 JHOCJALLQHWBON-GXDHUFHOSA-N 240.690 2.522 30 40 BFEB C=CC[C@H](O)c1cc(Cl)ccc1OC 95731580 ADXAYDYDYCHVQE-JTQLQIEISA-N 212.676 2.958 30 40 BFEB C#CCOC(=O)c1ccc(-n2cccc2)c(C)c1 226244702 JXLXPRZHLJXUAF-UHFFFAOYSA-N 239.274 2.576 30 40 BFEB CC(C)(C)C1=CCN(C(C)(C)/C=N/O)CC1 1584461 MXZPCXFYMXSSPF-GXDHUFHOSA-N 224.348 2.903 30 40 BFEB N#C[C@H](c1ccccc1Cl)N1CCC(=O)CC1 20178604 UWDNKWRRPDGVPY-CYBMUJFWSA-N 248.713 2.570 30 40 BFEB N#Cc1cccnc1SCc1cccnc1 30822763 UOCYNFGEZRJXPF-UHFFFAOYSA-N 227.292 2.641 30 40 BFEB O=C(/C=C/c1cccs1)c1ccc[nH]1 46085333 DNAUWSAXNVIWCN-AATRIKPKSA-N 203.266 2.972 30 40 BFEB Cc1cc(N/N=C/C=C/c2ccco2)nc(C)n1 63383322 FEMIUTSBTMENLM-VWQNNZLTSA-N 242.282 2.798 30 40 BFEB C[C@@H]1CC[C@@H](NCc2cccc(C#N)c2)C1 70643409 LWYTYNNFJYRDTO-BXUZGUMPSA-N 214.312 2.836 30 40 BFEB C[C@H](C/C(O)=N/S(C)(=O)=O)C1CCCCC1 71892364 OGUKADTVAFLVRJ-SECBINFHSA-N 247.360 2.509 30 40 BFEB N#Cc1cccn1-c1ccc([N+](=O)[O-])cc1Cl 160026352 IADJFPBKIPUXJV-UHFFFAOYSA-N 247.641 2.911 30 40 BFEB C=C1CCCN(c2ccnc(C3CC3)n2)C1 575607303 ZLGVIQNMDKQKJL-UHFFFAOYSA-N 215.300 2.510 30 40 BFEB O=[N+]([O-])c1cccc(C#Cc2ccccc2)c1 306389 WIDIJEWZZQPARQ-UHFFFAOYSA-N 223.231 2.995 30 40 BFEB C=CCc1ccc(OC(=O)CC)c(OC)c1 1600150 GZKIAPLXSBWPRY-UHFFFAOYSA-N 220.268 2.739 30 40 BFEB C[C@@H]1CN/C(=N\c2ccc(F)cc2)S1 6114288 QAZPKSKUOOWBMI-SSDOTTSWSA-N 210.277 2.538 30 40 BFEB C=C1CC[C@H](O)[C@]2(C)CC[C@H]([C@@H](O)C(C)C)[C@H]12 14618420 OZBVMKPZPKMEGY-YTFOTSKYSA-N 238.371 2.747 30 40 BFEB biogenic,in-vitro N/C(S)=N/N=C\c1ccc(Cl)c(Cl)c1 20164022 OMVGKAWQTXZISA-QCDXTXTGSA-N 248.138 2.572 30 40 BFEB CCCC[C@H](CC=O)NC(=O)OC(C)(C)C 72481766 NAEBJRLJYYWIJK-SNVBAGLBSA-N 229.320 2.659 30 40 BFEB CC(C)=CCN(CCC#N)Cc1ccccn1 84671220 OVCBXSMCBXPBCT-UHFFFAOYSA-N 229.327 2.763 30 40 BFEB Cc1cccc(C)c1NC(=O)C1(C#N)CC1 156831361 MLZWPTIVBBTEOV-UHFFFAOYSA-N 214.268 2.546 30 40 BFEB O/N=C(/NCc1ccccc1)c1ccccc1 17426759 JPXBMIZUWYDMSO-UHFFFAOYSA-N 226.279 2.612 30 40 BFEB C=CCOc1ccc2ccccc2c1CO 35630852 KVASRNXAGISYMP-UHFFFAOYSA-N 214.264 2.897 30 40 BFEB CCC[C@@H](C)Nc1ccc(C#N)cc1N 35674320 TTWILBHHWHGNFZ-SECBINFHSA-N 203.289 2.741 30 40 BFEB N#Cc1ccc(COC2CCC2)c(F)c1 50520442 WTOHWMRKDOJYRQ-UHFFFAOYSA-N 205.232 2.766 30 40 BFEB in-vitro COc1ccc(/C=N/O)c2ccccc12 59459026 KRFMJGUNXOLMNL-MDWZMJQESA-N 201.225 2.657 30 40 BFEB Cc1ccc(F)cc1C#C[C@@H](O)C(C)C 95632424 ILWSLLSEIZEKQT-CYBMUJFWSA-N 206.260 2.503 30 40 BFEB Cl/N=C1\C=C/C(=N\Cl)C(Cl)=C1 101201186 IIGYYCVYWIGCPW-MCIRJAFSSA-N 209.463 2.869 30 40 BFEB CC(C)(C)/N=C/c1ccc([N+](=O)[O-])cc1 301282 BZCRPTQYJYKZDH-XYOKQWHBSA-N 206.245 2.812 30 40 BFEB in-vitro C=C(C)CNC(=S)N1c2ccccc2C[C@H]1C 6330887 FKOJKGROVRJHAU-LLVKDONJSA-N 246.379 2.888 30 40 BFEB N#Cc1cccc(Oc2ccccc2N)c1 19845859 COWSFDZTJBAMIM-UHFFFAOYSA-N 210.236 2.933 30 40 BFEB C[C@]1(Cc2ccccc2)CCC[C@H](C=O)C1=O 31938444 FBALOPTZGWJSJE-UKRRQHHQSA-N 230.307 2.804 30 40 BFEB CCOc1c(C#N)cc(Cl)cc1[N+](=O)[O-] 57332064 UAOIDDLQDLABNX-UHFFFAOYSA-N 226.619 2.519 30 40 BFEB CC(C)(C)OC(=O)N1CCC[C@H](CS)C1 71485011 CTGQIKIVZPEWJZ-VIFPVBQESA-N 231.361 2.563 30 40 BFEB Cc1cc(/C=N/O)cnc1N(C)c1ccccc1 72222292 XZTIOYROVZBCFL-MHWRWJLKSA-N 241.294 2.966 30 40 BFEB C[C@@]1(c2ccccc2)CCCN(CC#N)C1 79097491 KQJDPUQVWBHFGH-CQSZACIVSA-N 214.312 2.564 30 40 BFEB C=CCn1c(C)nc(-c2cccc(F)c2)c1N 100761315 BZGSQKIGZAZALG-UHFFFAOYSA-N 231.274 2.766 30 40 BFEB C=CCn1c(CCC(C)C)ccc1C(=O)O 226025138 UVJSMGUKMIOHHA-UHFFFAOYSA-N 221.300 2.961 30 40 BFEB N#Cc1cccc(C(=O)NC2CCCCC2)c1 8202767 HBXWTMITGHOBOW-UHFFFAOYSA-N 228.295 2.621 30 40 BFEB CCOC(=O)C(C#N)([C@@H]1C=CCC1)[C@H]1C=CCC1 16955261 GHEBDCIPYWUVHU-NNQSOWQGSA-N 245.322 2.992 30 40 BFEB C/C(=N/OC(=O)C(C)C)c1ccccc1 38337831 ARFBAQGFFDGABH-RAXLEYEMSA-N 205.257 2.610 30 40 BFEB CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1C=O 72481761 MJXWXYLRAYWJGA-QWRGUYRKSA-N 241.331 2.659 30 40 BFEB Cc1cnc(C(C)(C)NCCCC#N)s1 96014052 MCZPGKSJQSVRBU-UHFFFAOYSA-N 223.345 2.580 30 40 BFEB C=CCOc1c(Cl)csc1C(=O)O 96510951 YQQOKBNXHNXPLT-UHFFFAOYSA-N 218.661 2.665 30 40 BFEB CCCCCCC[C@@H]1OCC2=C1C(=O)OC2 100156905 RZJOQWGCSRXCLA-NSHDSACASA-N 224.300 2.599 30 40 BFEB biogenic,in-vitro N#CC12CCC(Br)(CC1)CC2 200417734 ZEQRDIZTNQXUPO-UHFFFAOYSA-N 214.106 2.998 30 40 BFEB CC[C@@H](C)NC(=S)Nc1ccc(CC#N)cc1 225270993 ZENPQEOUVNLANC-SNVBAGLBSA-N 247.367 2.838 30 40 BFEB Cn1cccc1/C=N\c1cccc([N+](=O)[O-])c1 409106337 LJJAIZFWUKWBRL-LCYFTJDESA-N 229.239 2.684 30 40 BFEB N#Cc1ccc(/N=C/c2ccc(O)c(O)c2)cc1 561352 WGKIYMJXPWIUEU-CXUHLZMHSA-N 238.246 2.720 30 40 BFEB CC(C)=NOCCCCON=C(C)C 5329872 VGLPEIUFMHQFPM-UHFFFAOYSA-N 200.282 2.591 30 40 BFEB C=C(C)CNC(=S)N1[C@H](C)CCC[C@H]1C 6468245 YWSAZLGRVPIBES-GHMZBOCLSA-N 226.389 2.700 30 40 BFEB O=C1C(=Cc2ccccn2)C(=O)c2ccccc21 13236252 GVHBIYWPUUMZQT-UHFFFAOYSA-N 235.242 2.544 30 40 BFEB C=CCOc1cccc(NC(=S)NCC)c1 14783832 FMYKPWZIGFMEDH-UHFFFAOYSA-N 236.340 2.558 30 40 BFEB CCCCCNC(=O)Nc1ccc(C#N)cc1 32779380 OQPKASYJZGFXQM-UHFFFAOYSA-N 231.299 2.870 30 40 BFEB Cc1cnc2ccc3c(nc(N=[N+]=[N-])n3C)c2n1 22049532 BHRZXQKNDINQJI-UHFFFAOYSA-N 239.242 2.767 30 40 BFEB in-vitro C=CCNC(=O)c1ccc(Cl)c2cccnc12 32809274 XAUVTWRITCUOFO-UHFFFAOYSA-N 246.697 2.804 30 40 BFEB N#CCOc1cc(Br)cc(F)c1F 95734043 PGXQBGIOFQSJOV-UHFFFAOYSA-N 248.026 2.630 30 40 BFEB COc1ccc(SCCC#N)cc1OC 96418760 SDFISPJBYXNFJS-UHFFFAOYSA-N 223.297 2.710 30 40 BFEB C[C@@]12CC[C@H](C/C1=N\O)[C@@]2(C)CCC(=O)O 103612142 JNIZOMYFBBJLFI-FXHYREMBSA-N 225.288 2.508 30 40 BFEB N#Cc1cccn1-c1cc([N+](=O)[O-])ccc1Cl 223739471 QGSBVPSOCOHTJG-UHFFFAOYSA-N 247.641 2.911 30 40 BFEB N#Cc1cnn(Cc2cccc3ccccc23)c1N 225848351 FMOARKLMDRISIC-UHFFFAOYSA-N 248.289 2.538 30 40 BFEB COc1ccc(Nc2ccncc2C#N)cc1 259765408 QVLIRZZDEMBAEM-UHFFFAOYSA-N 225.251 2.705 30 40 BFEB C=CCCC(=O)c1ccc(OC(C)=O)cc1 309241884 KYMDKZYOLDUSPM-UHFFFAOYSA-N 218.252 2.761 30 40 BFEB C=C1CCN(c2cccc(Cl)c2)C1=O 1562652 MHURFQATFSNCTI-UHFFFAOYSA-N 207.660 2.633 30 40 BFEB N#CCCC(=O)c1ccccc1Br 2392773 IEFOOSOOWUOXPH-UHFFFAOYSA-N 238.084 2.936 30 40 BFEB Cc1ccc(N/N=C/c2ccncc2)cc1 4920895 PNZVHYSPRQAWGE-XNTDXEJSSA-N 211.268 2.836 30 40 BFEB CN(CC1CC1)c1nc2ccccc2cc1C#N 71389832 ZPHXMKHVHMAHQH-UHFFFAOYSA-N 237.306 2.953 30 40 BFEB CC[C@@]1(c2cccc(Cl)c2)O[C@@H]1C(=O)OC 85657605 HGCIZFPBWACOCN-PWSUYJOCSA-N 240.686 2.517 30 40 BFEB CC(C)[C@H](O)C#Cc1cccc(Cl)c1 95631797 FRWWPFJGCICZNK-GFCCVEGCSA-N 208.688 2.708 30 40 BFEB C/C(=N\OCc1ccccc1F)c1cnn(C)c1 96298120 HDJSRURSWHNXBO-MHWRWJLKSA-N 247.273 2.500 30 40 BFEB CC(=O)C/C(=N/C(C)C)[C@@H](C(C)=O)C(C)C 100218924 QDZUXAAKOJCPBC-NXXVSJRMSA-N 225.332 2.676 30 40 BFEB CC(C)n1c(C#N)cc(N)c1N1CCC[C@H](C)C1 260825920 RXOQOVUYIRCYDS-NSHDSACASA-N 246.358 2.759 30 40 BFEB COc1ccccc1/C=N/N=C\c1ccco1 16919050 FJUGALZOMBNFCB-BMJMZVRVSA-N 228.251 2.741 30 40 BFEB N#Cc1cc(N2CCCC2)nc2ccccc12 68771820 PHCUYKVKEKJYSI-UHFFFAOYSA-N 223.279 2.707 30 40 BFEB N#CCc1ccc(OCc2ccccc2)cn1 113992595 AEWBPWKCNAHPFK-UHFFFAOYSA-N 224.263 2.727 30 40 BFEB O/N=C(\Cl)c1ccccc1Br 114804390 GNVLBHCNTSIMFN-YFHOEESVSA-N 234.480 2.824 30 40 BFEB N#Cc1ccccc1C(=O)COc1ccccc1 575243016 SHNSSLUZKKDYOJ-UHFFFAOYSA-N 237.258 2.820 30 40 BFEB Fc1ccc(N/N=C/c2ccccn2)cc1 6283671 IGFLLWCOYNIUPR-OQLLNIDSSA-N 215.231 2.667 30 40 BFEB C=CCNc1ncnc2c1[nH]c1ccccc12 6498859 IIZRBYYJFUQYHY-UHFFFAOYSA-N 224.267 2.709 30 40 BFEB Cc1ccc2c(CC(=O)O[C@@H](C)C#N)coc2c1 6558670 IUWBTCCZDATSNJ-JTQLQIEISA-N 243.262 2.739 30 40 BFEB N#C[C@@H](C(=O)C(F)(F)F)c1ccc(F)cc1 34610330 RCAQVQYAKNWDSW-MRVPVSSYSA-N 231.148 2.564 30 40 BFEB N#Cc1cc(N)c(N2CCCC2)n1C1CCCC1 225864601 VAMNHSXONLKZOU-UHFFFAOYSA-N 244.342 2.657 30 40 BFEB N#Cc1ccc(CN[C@@H]2CCC[C@@H]2F)c(F)c1 335035434 XTAQMSAWCAXYJG-WCQYABFASA-N 236.265 2.678 30 40 BFEB CNc1cc(Cl)c(C#N)c(Cl)c1 1726294 OVSRWDHEOHFYHW-UHFFFAOYSA-N 201.056 2.907 30 40 BFEB CCCCCCSc1ncc(C#N)c(N)n1 4092968 XJPGUJFEBPPBMM-UHFFFAOYSA-N 236.344 2.603 30 40 BFEB N#Cc1ccc(NC2=CC(=O)CCC2)cc1 4235215 JBVLMFSUYXCSSX-UHFFFAOYSA-N 212.252 2.607 30 40 BFEB biogenic Cc1ccc(C(=O)Nc2cccc(C#N)c2)cn1 19471933 IYXRUGKSEUYBKJ-UHFFFAOYSA-N 237.262 2.514 30 40 BFEB C=C(Cl)CN1CCN(c2ccccc2)CC1 39987661 UUYAQBPBENILHN-UHFFFAOYSA-N 236.746 2.561 30 40 BFEB CC[C@H]1c2ccccc2CCN1CCC#N 71907880 AFVTTYNZOZEAQJ-AWEZNQCLSA-N 214.312 2.909 30 40 BFEB CC[C@](C)(O)C#Cc1ccc(C)c(F)c1 95633688 DLYOMFBIKAWFFN-ZDUSSCGKSA-N 206.260 2.647 30 40 BFEB CCCCCCCCOC(=O)[C@@H](C)OC(C)=O 1688353 UMNCSZZKGJUPKA-LLVKDONJSA-N 244.331 2.842 30 40 BFEB CC(=O)C(=C/C=C\c1ccccc1)C(C)=O 8659434 MNVJZMVQXQFONB-TWGQIWQCSA-N 214.264 2.804 30 40 BFEB C=C[C@@H](N)c1ccc(Br)cc1 83944908 ZXZSYYGFRUPTLU-SECBINFHSA-N 212.090 2.635 30 40 BFEB CCCCCCCSCCOCCO 100075786 JXNBRFNPLJDFCV-UHFFFAOYSA-N 220.378 2.699 30 40 BFEB CC(C)(C)NC(=S)Nc1ccc(C#N)cc1 12877 FHDLOIHJPBUXOI-UHFFFAOYSA-N 233.340 2.643 30 40 BFEB CC(=O)C1=CN(C)c2ccccc2S1 1583515 WFTAGGLAWSTHDP-UHFFFAOYSA-N 205.282 2.659 30 40 BFEB CCCCN(CCCC)COCC#CCOC 3040375 PAOGLYMKOYXKPL-UHFFFAOYSA-N 241.375 2.513 30 40 BFEB CC(C)(C)CC(=O)Nc1ccc(C#N)cc1 4387436 UEKHDSRPLSMLEF-UHFFFAOYSA-N 216.284 2.933 30 40 BFEB C/C(=N\O)c1nc2ccccc2n1C(F)F 9428932 ZTLFPGJLKZIUIH-MKMNVTDBSA-N 225.198 2.630 30 40 BFEB COc1cc(Br)c(CC#N)cc1F 113917453 BSLMXOIHTBJELF-UHFFFAOYSA-N 244.063 2.663 30 40 BFEB C=CCNC(=O)c1cc2cccc(C)c2o1 139462944 XBWQCWKANJSSJO-UHFFFAOYSA-N 215.252 2.657 30 40 BFEB COc1cccc(CSCCCC#N)n1 191002702 FPFDOJJAABNCCV-UHFFFAOYSA-N 222.313 2.627 30 40 BFEB C[C@]1(F)CCN(c2ccc(F)cc2C#N)C1 390834783 YQSBNXIDKOGYID-LBPRGKRZSA-N 222.238 2.636 30 40 BFEB N#C[C@H](Cc1cc(Cl)ccc1Cl)C(=O)O 585656351 XPFAEYGQQNHODO-ZETCQYMHSA-N 244.077 2.760 30 40 BFEB Cc1ccc(-c2ccnc3c(C#N)cnn23)cc1 2786996 JXLMWAUAYCYCHG-UHFFFAOYSA-N 234.262 2.576 30 40 BFEB N#Cc1ccc(C(=O)OCc2ccccc2)cc1 3239269 GIDNRRAOOBZPAB-UHFFFAOYSA-N 237.258 2.915 30 40 BFEB CCOC(CCOc1ccccc1C#N)OCC 75767574 OHGWLFFPNWMQRU-UHFFFAOYSA-N 249.310 2.726 30 40 BFEB in-vitro Cc1nsc(NCc2c(C)noc2C)c1C#N 92912625 HARRPYIEJRSFMN-UHFFFAOYSA-N 248.311 2.540 30 40 BFEB CC(C)[C@](C)(C#N)NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 104895273 WEGZHHBJAQPHKN-XPCVCDNBSA-N 248.370 2.867 30 40 BFEB COc1c(Cl)cc(/C=N\O)cc1Cl 107731997 YNPYHGQQPWZXBE-WCIBSUBMSA-N 220.055 2.810 30 40 BFEB CCCn1cc(C#C[Si](C)(C)C)cn1 203600062 GJRAVYUOJQHHHF-UHFFFAOYSA-N 206.365 2.522 30 40 BFEB C=CCCC(=O)N1CCC(C2CC2)CC1 646769374 FSBPBBATNOQIRV-UHFFFAOYSA-N 207.317 2.601 30 40 BFEB N#C[C@@H]1C[C@@]12CSc1ccccc1C2=O 1391211 VTKZMSZKRMWIER-QPUJVOFHSA-N 215.277 2.505 30 40 BFEB C=CC[C@H]1CC[C@](CC=C)(C(=O)OCC)C1=O 1670408 ZGBUVLVLPHQJOR-FZMZJTMJSA-N 236.311 2.667 30 40 BFEB N#CCCn1nc(C(F)(F)F)c2c1CCCC2 12395622 JHCGTSJCBNDFSM-UHFFFAOYSA-N 243.232 2.694 30 40 BFEB C=C(C)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1 34570713 NWPIOULNZLJZHU-UHFFFAOYSA-N 239.359 2.757 30 40 BFEB in-vitro C[C@H](C=O)c1cccc(Br)c1 39295756 TXYJSKCUTXIIGJ-SSDOTTSWSA-N 213.074 2.752 30 40 BFEB CC(C)CC[C@@](C)(O)CNc1ncccc1C#N 71920872 ULJSZQYRBVTKHJ-CQSZACIVSA-N 247.342 2.552 30 40 BFEB CC[C@@H](CC(=O)N[C@@H](C)C#N)c1ccccc1 78418911 IQMFBAGMVXIFQH-RYUDHWBXSA-N 230.311 2.599 30 40 BFEB Cc1cc(C#CC(C)(C)O)ccc1Cl 95631660 FGNXFNBVMSIPOZ-UHFFFAOYSA-N 208.688 2.771 30 40 BFEB C[C@H](N/C=C/C(=O)C(F)(F)F)c1ccccc1 100039375 FVGVHYUYESBBLJ-FLOXNTQESA-N 243.228 2.982 30 40 BFEB COc1cccc(/N=C/c2cccn2C)c1 409094524 FLCSCTKEGLMIOZ-GXDHUFHOSA-N 214.268 2.784 30 40 BFEB C[C@@H]1OC2=C(C(=O)C(=O)c3ccccc32)C1(C)C 1531756 WGENOABUKBFVAA-QMMMGPOBSA-N 242.274 2.608 30 40 BFEB biogenic,in-vitro C=CCNC(=O)C1(c2ccccc2)CCCC1 2512601 RWOPFXVLCKTRQL-UHFFFAOYSA-N 229.323 2.801 30 40 BFEB N#CCOC(=O)c1cccc2ccccc12 3359980 QZWMHUFLVQGHFQ-UHFFFAOYSA-N 211.220 2.520 30 40 BFEB CCC(=O)c1ccc(OCCCC#N)cc1 19486895 QJMUHTSEVDUQDO-UHFFFAOYSA-N 217.268 2.962 30 40 BFEB C=C(C)CNC(=S)NC1CCCCCC1 35082172 IWYLYKLMOWUPHO-UHFFFAOYSA-N 226.389 2.749 30 40 BFEB C[C@H](C1CC1)N(C)Cc1cccc(C#N)c1 35207514 KGZWSCYORIKQTL-LLVKDONJSA-N 214.312 2.789 30 40 BFEB CC(C)CCNc1ccc(C#N)cc1N 35674352 RYIRLUVIZDWFIR-UHFFFAOYSA-N 203.289 2.598 30 40 BFEB C#CCN[C@H](C)c1nc(C(C)(C)C)cs1 97374438 KTLBOFZFAJQXPQ-SECBINFHSA-N 222.357 2.724 30 40 BFEB