smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(N2/C(=N\C(=O)C(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 101305521 YBLXOLFPFRBRAR-KRGDBVFUSA-N 366.508 2.643 30 40 FFEB CC[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1 12944120 ZFXXUEQFRDHTDM-CYBMUJFWSA-N 351.472 2.922 30 40 FFEB COC(=O)/C(=N/Nc1ccc([N+](=O)[O-])cc1)N1CCCc2ccccc21 4614802 CMYFBPLBMJDGNL-JZJYNLBNSA-N 354.366 2.946 30 40 FFEB COc1cc(/C=C/C(=O)ON2C(=O)CCC2=O)ccc1OCCC(C)C 97940148 HUGGNMCWEUYVPJ-WEVVVXLNSA-N 361.394 2.741 30 40 FFEB CN([C@@H]1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)Cc1ccccc1 1888922219 VQNUZSCOMHBJLE-HXUWFJFHSA-N 369.490 2.594 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccc(F)cc1 102804458 ZMXXSJRKKHUVNO-IDTYTIONSA-N 361.394 2.955 30 40 FFEB CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1cc2c(cc1[N+](=O)[O-])OCO2 100149667 GQXOVVQQQXKAKP-MNDPQUGUSA-N 367.321 2.514 30 40 FFEB Cc1cc(C)cc(N2/C(=N\C(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c1 101309447 FXOPUXZFUCLJMD-YTRIFDNDSA-N 366.508 2.561 30 40 FFEB CCOc1cc2c(cc1/C=C/C(=O)[C@@H]1C(=O)C=C(C)OC1=O)O[C@@H](C)C2 103337968 OBCVPHNYJUUJRL-YXGNIWEZSA-N 356.374 2.637 30 40 FFEB C=CCOc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1CC=C 59139892 ZWYXXZLGPLVXNM-UHFFFAOYSA-N 356.447 2.579 30 40 FFEB O=c1c2c(-c3cccs3)csc2ncn1C/C(O)=N/c1ncn[nH]1 23142177 XGKXRYUSRFNFTL-UHFFFAOYSA-N 358.408 2.593 30 40 FFEB N#Cc1ccc(COC(=O)CNC(=O)c2cccc(Br)c2)cc1 23523935 PQZXQTKVSVZRKG-UHFFFAOYSA-N 373.206 2.794 30 40 FFEB N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 8246056 SUCZTYRPDFURRV-MRXNPFEDSA-N 351.381 2.727 30 40 FFEB CCOc1ccc(/N=C2\NN=C(c3ccc(O)c(C(N)=O)c3)CS2)cc1 12742676 SUKKUNMBRNUTAJ-UHFFFAOYSA-N 370.434 2.618 30 40 FFEB C=CCN/C(S)=N/N=C/c1cc(Br)c(O)c(OCC)c1 17953171 KMRWZAREMKOCCO-LZYBPNLTSA-N 358.261 2.949 30 40 FFEB Cn1nc(CC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc2c1=O 15599893 VMXCTESHKUHUGJ-UHFFFAOYSA-N 352.781 2.640 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1c(O)ccc2ccccc12 222246061 QQRCACCILUTOLS-YDMBDHIRSA-N 358.397 2.932 30 40 FFEB Cc1cccc(OC[C@H]2CCCN(S(=O)(=O)c3ccc(C#N)cc3)C2)n1 1775969520 WQHHQEXDONQCPE-KRWDZBQOSA-N 371.462 2.741 30 40 FFEB C#CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])cc2)sc2cccc(OC)c21 100909847 XEUQGPFYROUFQV-HNENSFHCSA-N 367.386 2.994 30 40 FFEB CCCC1=NN(C(=O)COc2ccc(C#N)cc2)[C@](O)(C(F)(F)F)C1 814224 JXNZXUWZNGCOSV-OAHLLOKOSA-N 355.316 2.576 30 40 FFEB COc1ccc(-c2c(C)nn3c(=O)c(CCC#N)c(C)[nH]c23)cc1OC 10494588 DURSPCILJWTENH-UHFFFAOYSA-N 352.394 2.780 30 40 FFEB Cc1cccc(NC(=S)N/N=C2/C3CN4CCN(C3)CC2(C(C)C)C4)c1 103648105 YNMYFSFVPLUJOA-PYCFMQQDSA-N 371.554 2.541 30 40 FFEB CC1CCC(C#N)(N(C)C(=O)CN(C)CC(=O)Nc2cccc(F)c2)CC1 12978943 NHCNGZXKQKAMHW-UHFFFAOYSA-N 374.460 2.627 30 40 FFEB C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(Cl)cc2)c1 12974133 ZJBYFTYUKQZXIL-UHFFFAOYSA-N 364.854 2.734 30 40 FFEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 4016893 OELLKKNPJAFMKR-LDADJPATSA-N 371.353 2.786 30 40 FFEB N#Cc1ccc(NC(=O)COC(=O)COc2ccc3c(c2)CCC3)cc1 5241828 DQJJDPCJZOQQRK-UHFFFAOYSA-N 350.374 2.608 30 40 FFEB N#Cc1ccc(COC(=O)CCc2nc(N)nc(Nc3ccccc3)n2)cc1 6586203 LJOJLDOAPQKRQY-UHFFFAOYSA-N 374.404 2.745 30 40 FFEB CCN([C@@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccccc1C#N 7218991 FJZABUFMXDGTHR-HNNXBMFYSA-N 371.462 2.905 30 40 FFEB CCOc1ccc(N=C[C@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408528046 AQCAAOXVZTZHEH-PYTWLRIVSA-N 369.421 2.671 30 40 FFEB COC(=O)[C@@]1(C)/C(=N\NS(=O)(=O)c2ccc(C)cc2)CCC[C@@H]1C 32067925 LWLNBYRIVLIODI-TZZOIZJYSA-N 352.456 2.629 30 40 FFEB N#Cc1ncn(CCNC(=O)N2CC3(CCCCC3)[C@H]2c2ccccc2)n1 583189180 LHLZBWSECILKBZ-GOSISDBHSA-N 364.453 2.867 30 40 FFEB Cc1noc(C)c1S(=O)(=O)/N=C(\O)Cc1ccc(OC(F)F)cc1 48490911 VCEWFPSOCFPWFB-UHFFFAOYSA-N 360.338 2.781 30 40 FFEB C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@H](c2nncn2C2CC2)C1 83888636 JWYYISUHQNANQH-ZBFHGGJFSA-N 365.437 2.658 30 40 FFEB CC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1/N=C/c1ccccc1 13145330 NWHLPOSXYAHGJY-YQGQAXFOSA-N 366.446 2.824 30 40 FFEB Cc1ccccc1-c1nnc(SCC(=O)N[C@@](C)(C#N)C(C)C)n1C 2656089 UWCUDKQXTFHQND-SFHVURJKSA-N 357.483 2.937 30 40 FFEB C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nc2ncccc2c1=O 31614915 NHZYZYZCOTURBU-DZGCQCFKSA-N 372.494 2.765 30 40 FFEB CN1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccccc2)C3=O)CC1 22575493 QYXNSUPMGWMJJW-UYRXBGFRSA-N 350.418 2.756 30 40 FFEB O=C1[C@@H](O/N=C2/CCOc3ccccc32)CCN1c1cccc([N+](=O)[O-])c1 109145877 OFSGZFSVYWLPHP-OBKVJGTNSA-N 367.361 2.904 30 40 FFEB COc1cccc(/C=N\Nc2nnnn2-c2cccc3ccccc23)c1O 36127439 BUKWSIFDARQZSH-NDENLUEZSA-N 360.377 2.976 30 40 FFEB N#Cc1cccc(S(=O)(=O)NCc2ccccc2OC(F)(F)F)c1 10757369 LEBFZDFXCKOCLX-UHFFFAOYSA-N 356.325 2.935 30 40 FFEB N#Cc1ccc(COC(=O)CCn2nc(-c3cccs3)oc2=O)c(F)c1 29903037 VPIYAKHPVWLZNI-UHFFFAOYSA-N 373.365 2.709 30 40 FFEB C/C(=N\NC(=S)NC[C@@H]1CCCO1)c1ccc(Cl)c([N+](=O)[O-])c1 5166347 WGLOZPWGTZTQEL-DTQASYIRSA-N 356.835 2.615 30 40 FFEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCCN(C)C)o1 4312053 PXRNKTNOZLYXEO-SELCWUDQSA-N 368.433 2.961 30 40 FFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)n1cc(C(=O)c2ccccc2O)cn1 14198511 BVUMOYGCKPYLKS-CYBMUJFWSA-N 361.357 2.799 30 40 FFEB N#CCc1ccc(OC[C@@H](O)Cn2cnc3cc(Cl)ccc3c2=O)cc1 14137765 HTSOQLNLKXUPBQ-HNNXBMFYSA-N 369.808 2.556 30 40 FFEB C=CCn1c(SCC(=O)N[C@@](C)(C#N)C(C)C)nnc1-c1cccnc1 8471634 WIGPFUWAEMKBQR-SFHVURJKSA-N 370.482 2.673 30 40 FFEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1cc2c(cc1Cl)OCO2 408728174 IRZOYDNAYWDVLX-HZNZDUQGSA-N 358.781 2.600 30 40 FFEB CCOC(=O)C/C(=N\Nc1ncccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 16682238 AJEBUPSDJCMQQV-QGOAFFKASA-N 373.325 2.667 30 40 FFEB CCn1c(SCc2cc(O)n3ncc(C#N)c3n2)nc2ccccc21 40114122 LQLHJJVKRFTHAC-UHFFFAOYSA-N 350.407 2.968 30 40 FFEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)cc1 820840 ZVNYPOCBLMTVEJ-HNNXBMFYSA-N 357.406 2.883 30 40 FFEB COc1cc(C#N)ccc1OCC(=O)Nc1cccc(N2CCCC2=O)c1 12854197 MAKDXBBYVVZUMD-UHFFFAOYSA-N 365.389 2.711 30 40 FFEB COc1ccc(C(=O)[C@@H](C#N)c2cc(OC)c3c(c2OC)OCO3)cc1 66091429 DXZGHYMYIWEYPI-AWEZNQCLSA-N 355.346 2.931 30 40 FFEB Cc1cc(C(=O)CCC(=O)OCC(=O)NC2(C#N)CCCC2)c(C)s1 4883732 HGOXGPSFFRJOCF-UHFFFAOYSA-N 362.451 2.824 30 40 FFEB C#CCN1CCCC[C@H]1C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 66686303 PCYVENZFBHTEBA-ROUUACIJSA-N 364.848 2.867 30 40 FFEB Cc1c(Cl)cccc1N1CC(=O)C(c2nc3ccccc3c(=O)[nH]2)=C1N 18169857 HNPABDBEKUVTPR-UHFFFAOYSA-N 366.808 2.602 30 40 FFEB COc1ccc(OC)c2c1CN(c1snc(Cl)c1C#N)C[C@@H]2O 51453657 QBOHTQDRIGQPEI-JTQLQIEISA-N 351.815 2.739 30 40 FFEB CC1(C)CC(=O)C2=C(C1)N1CCc3ccccc3[C@H]1C/C2=N\NC(N)=S 4026864 LYUHTCXXPZHRBX-QQHUYRGFSA-N 368.506 2.822 30 40 FFEB biogenic N#Cc1cc2c(nc1N1C[C@H]3CN(c4ncccc4F)C[C@H]3C1)CCCC2 2086992614 YPZWTIPVVINUTG-CALCHBBNSA-N 363.440 2.939 30 40 FFEB C=CCn1c(C)cc(C(=O)COC(=O)COc2ccccc2C#N)c1C 2660365 MNZSMOANAWFQPI-UHFFFAOYSA-N 352.390 2.968 30 40 FFEB COc1cc2c(cc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCC2 4160051 HJHSVPFAJIAFCL-RQZCQDPDSA-N 358.310 2.893 30 40 FFEB CC(C)(C)OC(=O)N1CCC[C@H](S(=O)(=O)c2ccccc2C#N)C1 89212830 XAAPNAMVRJYHQW-AWEZNQCLSA-N 350.440 2.731 30 40 FFEB Cc1cccc(N([C@@H](C)C(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)c1 220126826 UDBRZTUHVHEUGO-HNNXBMFYSA-N 371.462 2.854 30 40 FFEB Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)Nc2nc(C)cs2)n1 198023489 FWFCIEJWJXAUKA-UHFFFAOYSA-N 359.260 2.706 30 40 FFEB N#Cc1ccc(CCC(=O)N2CC(N3CCc4sccc4C3)C2)cc1 575607421 TUHPOBKGZPXLTL-UHFFFAOYSA-N 351.475 2.821 30 40 FFEB Cc1ccc(/C(O)=N/S(=O)(=O)c2cc(Cl)ccc2Cl)c(=O)[nH]1 62673895 IJKDNQLNFRUWCF-UHFFFAOYSA-N 361.206 2.684 30 40 FFEB CC1=C(NNC2C(=O)c3ccccc3C2=O)C(=O)[C@@H](c2ccccc2)[C@@H]1C 1554504430 LFPFWATWFZAGFU-SJKOYZFVSA-N 360.413 2.805 30 40 FFEB C[C@H]1C[C@@](O)(C#CCOc2ccc(Br)cc2)[C@H](C)CN1C 5440283 BZEJSCRBMDUORW-KEYYUXOJSA-N 352.272 2.923 30 40 FFEB C[C@@H](OC(=O)COc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cn1 5990555 OYYQLYDFDHZKOX-LLVKDONJSA-N 359.769 2.556 30 40 FFEB CC(C)OC(=O)COc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)cc1 6327953 IEDPNDGIPJRCLF-SRZZPIQSSA-N 366.373 2.647 30 40 FFEB CSc1ncc(C#N)c(N2CCC(COc3cc(C#N)ccn3)CC2)n1 1889111355 VSRQIJNTLPSOQU-UHFFFAOYSA-N 366.450 2.632 30 40 FFEB N#Cc1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1 22405823 OBENUDOJBWHKRA-UHFFFAOYSA-N 364.430 2.913 30 40 FFEB C=CCNc1nc(C(=O)OCC(=O)Nc2cccnc2Cl)cs1 12622341 NBBHBRSIGYPMCY-UHFFFAOYSA-N 352.803 2.585 30 40 FFEB Cc1ccc(C)c(N2/C(=N\C(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 101313040 NFLNFSLHTLPIAC-NHYXNVPJSA-N 366.508 2.561 30 40 FFEB C/N=C1/S/C(=C\c2cc([N+](=O)[O-])cc(Br)c2O)C(=O)N1C 59104896 PQKZTGCAIPEWFM-RVGMHUQZSA-N 372.200 2.595 30 40 FFEB CN(c1cccc(C#N)c1)S(=O)(=O)c1cc(C(=O)O)c(F)cc1Cl 63877926 HNZSUFXBOVHDIV-UHFFFAOYSA-N 368.773 2.874 30 40 FFEB COC(=O)c1ccc2c(c1)NC(=O)/C(=C\C(=O)c1ccc(OC)cc1)N2 77024232 LZHNOYXPOMKING-MHWRWJLKSA-N 352.346 2.613 30 40 FFEB COc1cc([C@@H]2C3=C(CCCC3=O)Nc3[nH]c(=S)[nH]c(=O)c32)ccc1O 5072696 AJNURQCXMVWGLA-CYBMUJFWSA-N 371.418 2.711 30 40 FFEB COc1cc(C#N)ccc1OC(=O)Cc1cc(OC)c(OC)c(OC)c1 7406243 PUNQSBWIIBCWON-UHFFFAOYSA-N 357.362 2.741 30 40 FFEB C=CCN1C(=O)N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C(=O)OC)=C1C 7550931 GREMHYSRPYHIQF-AWEZNQCLSA-N 365.773 2.948 30 40 FFEB C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C#N 7658151 GEFOXGUQBLIONT-LBPRGKRZSA-N 353.334 2.579 30 40 FFEB CCOc1ccc(NC(=O)CSc2nc(N)c(C#N)cc2C#N)cc1 19830755 HORKYKXWKQNDIP-UHFFFAOYSA-N 353.407 2.537 30 40 FFEB Cc1cnn(-c2cc(N/N=C/c3cc(Br)ccc3O)ncn2)c1 4595721 PPVBYIUHGYBUIH-FBCYGCLPSA-N 373.214 2.885 30 40 FFEB Cc1cccc(N2CCN(CC(=O)NC3(C#N)CCCCC3)CC2)c1C 12543540 LCFQQUGFDCIUII-UHFFFAOYSA-N 354.498 2.768 30 40 FFEB CCN1C(=O)C2(CCN(C(=O)C3(C#N)CCCC3)CC2)c2ccccc21 1565545575 KQCHALVZZSKQRW-UHFFFAOYSA-N 351.450 2.997 30 40 FFEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccn1 20230336 UOSAEHLGRYTPCH-MRXNPFEDSA-N 371.462 2.673 30 40 FFEB O=C1CC2(CCCCC2)CC(=O)C1=CNc1cccc2c1C(=O)NC2=O 102398997 MWJKMDQLUHURNP-UHFFFAOYSA-N 352.390 2.749 30 40 FFEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCN1CCNCC1 22863693 XZXYYACHWKVMLU-UHFFFAOYSA-N 362.481 2.547 30 40 FFEB C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c1 23433144 WQIDFCXZHUWQRU-DOTOQJQBSA-N 362.495 2.803 30 40 FFEB Cc1nnc(NC[C@H](c2ccc(F)cc2)N2CCOCC2)c(C#N)c1C 24053549 GZEIICRLENCVGT-GOSISDBHSA-N 355.417 2.590 30 40 FFEB CC(=O)OCC(C)(C)COS(=O)(=O)c1ccc(Br)cc1 1765826 OTCQHPQADBZIEO-UHFFFAOYSA-N 365.245 2.744 30 40 FFEB CCOC(=O)/C(=C\Nc1cscc1C(=O)OC)C(=O)C(F)(F)F 100038340 SEWQMJDCZYVSDG-DAXSKMNVSA-N 351.302 2.525 30 40 FFEB N#Cc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)c1 34953009 ONOLBDBAYONUIQ-IBGZPJMESA-N 362.433 2.913 30 40 FFEB N#Cc1ccc(COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 4839418 UIZPYJSTMHVWTB-UHFFFAOYSA-N 367.361 2.660 30 40 FFEB Cc1ccc2nc3c(cc(C#N)c(=O)n3-c3ccc(C)c(C)c3)c(=O)n2c1 6809459 ZRAYUZHRBAKGAG-UHFFFAOYSA-N 356.385 2.796 30 40 FFEB C#CCOc1ccc(Br)cc1/C=C1\SC(=S)NC1=O 408806714 BMOFDEBRRGOFIO-XFFZJAGNSA-N 354.250 2.950 30 40 FFEB COc1ccccc1/N=C\[C@H]1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 408762369 OIVWEAJXHCRKPM-GNKPEBMXSA-N 367.430 2.770 30 40 FFEB Cc1nc(COc2ccccc2/C=C/C(=O)N2CCOC[C@@H]2C#N)cs1 78879073 KFFLBFVUYYJPSN-LXXRFIIISA-N 369.446 2.795 30 40 FFEB Cc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3cccc([N+](=O)[O-])c3)C2=O)cc1 408536209 QIXKCKLLWRSEEJ-HNNXBMFYSA-N 366.333 2.505 30 40 FFEB N#C[C@@]12C(N)=NC3(OCCO3)[C@]1(C#N)[C@@H]2c1cccc(Oc2ccccc2)c1 55236764 MQQOEURYPNQMQJ-MISYRCLQSA-N 372.384 2.667 30 40 FFEB COCc1cc(C)nc(SCN2C(=O)c3ccccc3C2=O)c1C#N 33659820 UOHQBKMNYLTHDI-UHFFFAOYSA-N 353.403 2.754 30 40 FFEB CN(CC#CCNS(=O)(=O)c1cccc(Cl)c1)Cc1ccccc1 85470685 IVKWRYPXGXFHAG-UHFFFAOYSA-N 362.882 2.754 30 40 FFEB N#CCc1ccccc1CC(=O)OC[C@H]1CC(=O)N(Cc2ccccc2)C1 95468016 LXEPLXNBVXALJW-SFHVURJKSA-N 362.429 2.887 30 40 FFEB COc1ccccc1/N=C1/SCC(=O)N1/N=C/c1ccccc1C(=O)O 1083814 DOQYWFJZQVHFDC-GQVLRKDXSA-N 369.402 2.990 30 40 FFEB CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccc(F)cc1F 28915489 QEANSWIESODRAM-APSNUPSMSA-N 368.405 2.935 30 40 FFEB C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(C#N)c1 11460019 OQUKNKRHNPHJRL-LBPRGKRZSA-N 361.357 2.584 30 40 FFEB CCN1C(=O)/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 102985104 AGKKWZBXHITADH-OBGWFSINSA-N 355.310 2.686 30 40 FFEB C[C@@H](NC(=O)CON=C1CCC2(CC1)OCCO2)[C@@H]1C[C@H]2CC[C@H]1C2 108064894 QQKRUEYSXFGKKG-AESZEHBQSA-N 350.459 2.617 30 40 FFEB C/N=C1/S/C(=C\c2cc(Br)cc(OC)c2O)C(=O)N1C 408853208 ZSLYSONQLYJCPR-FZBBFINZSA-N 357.229 2.695 30 40 FFEB COc1cc(/C(C)=N/Nc2cccc(C(=O)O)c2)ccc1OCC(=O)O 13356194 XZPYVTKYUMIGEA-YBFXNURJSA-N 358.350 2.693 30 40 FFEB Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c(C)c1 6509114 SVYAIRAGAJJYMG-KBXCAEBGSA-N 372.498 2.814 30 40 FFEB CCOc1nc(/C(N)=N\O)nc(N(c2ccccc2)c2ccccc2)n1 4622604 KQXPUBYYLZTTEL-UHFFFAOYSA-N 350.382 2.835 30 40 FFEB C/C(=N\N=c1/[nH]c2ccccc2c(=O)n1O)c1ccc(Br)cc1 9245727 SVLKJWBVNIEMHE-VXLYETTFSA-N 373.210 2.654 30 40 FFEB C#CCn1c(C)c(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21 409226488 UGFDTNSKZNNKIY-NAMSLIHLSA-N 357.413 2.724 30 40 FFEB Cc1cccc(N([C@H](C)C(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)c1 220126889 UDBRZTUHVHEUGO-OAHLLOKOSA-N 371.462 2.854 30 40 FFEB CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1ccc(C#N)cc1 15363998 WMOCDVDFCLAKNL-UHFFFAOYSA-N 355.463 2.979 30 40 FFEB C=CCn1c(C)cc(C(=O)CSc2nnnn2-c2ccc(O)cc2)c1C 2646580 CTFHUJYNLGKXBY-UHFFFAOYSA-N 369.450 2.947 30 40 FFEB CCOC(=O)c1sc(N)c(C#N)c1Cn1cccc(C(F)(F)F)c1=O 31813792 BPAGFHICLYYXTH-UHFFFAOYSA-N 371.340 2.607 30 40 FFEB CC[C@](C)(NC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)OC 58210380 QWDOBRMTDMNQFG-IBGZPJMESA-N 356.378 2.802 30 40 FFEB N#Cc1cc([N+](=O)[O-])ccc1N1CCC(NC(=O)Cc2ccccc2)CC1 48278740 MVQNTBQXVMYQAL-UHFFFAOYSA-N 364.405 2.794 30 40 FFEB Cc1ccc(N2C(=O)N(CC(=O)Nc3ccccc3C#N)C(=O)[C@H]2C)cc1 6566665 MGHHOECRUGEXIM-CQSZACIVSA-N 362.389 2.663 30 40 FFEB CNC(=O)N(O)[C@@H]1N(/N=C/c2ccccc2F)C(=S)SC1(C)C 4795123 FQFXYXRWBLMMHW-CPWFCVNUSA-N 356.448 2.629 30 40 FFEB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2sccc2C#N)c1 8937619 WPKHCNVCWSKMTH-UHFFFAOYSA-N 363.464 2.901 30 40 FFEB CCCCCCCc1nnc(SCC(=O)N2CCOCC2)n1CC 408560127 BGQJJDFWHHTEGK-UHFFFAOYSA-N 354.520 2.762 30 40 FFEB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2ccc(F)cc2C#N)C1 548664817 ACFXQEWIIINFDA-GOSISDBHSA-N 358.442 2.700 30 40 FFEB CC1=NN(C(=O)c2ccncc2)[C@@](O)(C(F)(F)C(F)(F)C(F)(F)F)C1 5296649 ODXKZCVWHIYSEH-JTQLQIEISA-N 373.228 2.825 30 40 FFEB CCOc1ccc(/C=N/OCC(=O)NCc2ccccc2OC)cc1OC 8705195 JSSSOVHIIKLSLQ-WSDLNYQXSA-N 372.421 2.769 30 40 FFEB C(=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)\c1ccncc1 3900295 YBUFLWXWRKOQJD-RCCKNPSSSA-N 366.473 2.693 30 40 FFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H]1COc2ccccc2O1 14140130 BONSVNANOCFFTR-AWEZNQCLSA-N 363.373 2.820 30 40 FFEB CCOC(=O)c1cc(C#N)c(SCC(=O)N2CCCC[C@H]2C)nc1C 7149529 DSZSJMQYAIJPQT-GFCCVEGCSA-N 361.467 2.932 30 40 FFEB N#Cc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c([N+](=O)[O-])c1 89866488 GZVAXOQVNNERRA-UHFFFAOYSA-N 362.393 2.665 30 40 FFEB Cc1c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc2n1CC#N 409406039 JIITVIBRQXWYRQ-KODHJQJWSA-N 358.401 2.614 30 40 FFEB Cc1ccc(N2C(=O)[C@@H](/C=N/c3ccccc3F)C(=O)NC2=S)cc1 408763767 USJABNUEFQWFSA-NPNVKNKFSA-N 355.394 2.901 30 40 FFEB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2cc(C#N)ccc2F)C1 548011108 WAMMJWIKRCDZLR-GOSISDBHSA-N 358.442 2.700 30 40 FFEB N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2nccc3ccccc23)C1 225486131 FGWYRHUATIBCQK-OAHLLOKOSA-N 359.389 2.580 30 40 FFEB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1CCOCCC#N 571266602 SMMCIHBIPYSPDX-HXUWFJFHSA-N 368.481 2.852 30 40 FFEB N#Cc1cccnc1N1C[C@H]2CN(c3ncnc4ccc(F)cc34)C[C@H]2C1 2086866182 OZPXBSIUYCJKBS-GASCZTMLSA-N 360.396 2.608 30 40 FFEB C=CCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C)cc1 6766935 JQYNDTFBKJCXOH-UHFFFAOYSA-N 356.447 2.662 30 40 FFEB Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(N3CCCC3)cc2)c1C#N 7985114 HIRJKSKBIRZEFD-UHFFFAOYSA-N 368.462 2.886 30 40 FFEB C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 75298481 QDHCUTUDJJELKB-ZYSHUDEJSA-N 353.466 2.980 30 40 FFEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(N2CCCC2)cc1F 409409152 TUYQIVCORSBIDW-DSIZOQBWSA-N 353.397 2.567 30 40 FFEB N#C[C@@]1(N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218599462 FNNGALRYOOUWSV-OWCLPIDISA-N 350.802 2.640 30 40 FFEB COc1ccc2c(c1OC)C1=C(C2=O)c2cc3c(cc2CCN1)OCO3 5518856 MKHRAWDXJGOQHG-UHFFFAOYSA-N 351.358 2.643 30 40 FFEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cccs1 13733874 IEENCCKORPEHJU-INIZCTEOSA-N 371.462 2.673 30 40 FFEB N#CCSCC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 55832104 CQUASFPLEFSWOR-UHFFFAOYSA-N 357.410 2.951 30 40 FFEB COc1cccc([C@H]2O[C@@]3(C)OC(=N)[C@](C#N)([C@H]3C)C2(C#N)C#N)c1OC 102716192 JSIXCCUXPRCOEI-JKIJHMCWSA-N 366.377 2.678 30 40 FFEB CN(CC(=O)NCCc1cccc2cccnc12)Cc1ccc(C#N)cc1 46529630 YZIUHBDGLFCVDM-UHFFFAOYSA-N 358.445 2.897 30 40 FFEB CN(CCCC(=O)Nc1ccc(C#N)cc1)S(=O)(=O)c1cccs1 12831778 ZTEFVNKYMFRXGP-UHFFFAOYSA-N 363.464 2.659 30 40 FFEB C=CCn1c(C)cc(C(=O)COC(=O)[C@@H]2COc3ccccc3O2)c1C 3497536 QSLASLUATDYUJL-IBGZPJMESA-N 355.390 2.857 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(OC)c(OC)c2)cc1 13042831 COERLNZQBKEWMB-QGZVFWFLSA-N 369.373 2.578 30 40 FFEB biogenic COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(O)cc1 6813286 VZEIZPPNDPGELH-MRXNPFEDSA-N 357.362 2.518 30 40 FFEB C#CCn1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c2ccccc21 409368546 BKCYUOYZNFSMQF-OYODPCAESA-N 369.424 2.662 30 40 FFEB COc1ccccc1OCC#CCNC(=O)Cc1cn(C)c2ccccc12 90610336 UIWAUXAZAVOSEP-UHFFFAOYSA-N 362.429 2.928 30 40 FFEB N#Cc1cccc(C(=O)N2CC3(C[C@@H](OCc4cccnc4)CS3)C2)c1 575403300 HPZRPBACKAVWRI-GOSISDBHSA-N 365.458 2.870 30 40 FFEB CCNC(=O)[C@@H]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 76545491 JDDHBQOTNZSXRI-GFCCVEGCSA-N 366.368 2.540 30 40 FFEB Cc1ccc(N/C(S)=N\[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 13685944 LYZHVMKTPORNDG-HZPDHXFCSA-N 361.423 2.695 30 40 FFEB CCOc1cc(C#N)ccc1OCC(=O)OCC(=O)N[C@H]1CCCC[C@@H]1C 17730758 MMZFBKZGLPADES-HOCLYGCPSA-N 374.437 2.574 30 40 FFEB CC(=O)c1cccc(NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)c1 4119699 KBIJSPCBIDVVHR-RCQQVGEISA-N 354.328 2.937 30 40 FFEB N#Cc1nccnc1O[C@@H]1CCCN(C(=O)NCc2ccc(Cl)cc2)C1 225488857 UHMYLSWCRGLVJL-OAHLLOKOSA-N 371.828 2.755 30 40 FFEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC 4992975 CLPKWEPXTYEYSZ-RVDMUPIBSA-N 370.405 2.664 30 40 FFEB CCCS(=O)(=O)c1nnc(/N=C(\O)COc2ccc(F)cc2)s1 27664212 FHYAMVXKOIHJPS-UHFFFAOYSA-N 359.404 2.528 30 40 FFEB CCc1nnc(S)n1/N=C/c1ccc(OCC#N)c(Br)c1 408881433 MGMIZDPETUQZFM-LZYBPNLTSA-N 366.244 2.676 30 40 FFEB COc1cc(N2CCOCC2)ccc1/C=N\c1ccc(O)c(C(=O)O)c1 409235130 AZQVPKXVKPEEAT-NDENLUEZSA-N 356.378 2.686 30 40 FFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](O)c1ccc(F)cc1 31322144 RUDWNKLWNZUMQV-MRXNPFEDSA-N 353.353 2.853 30 40 FFEB C=CCO[C@@H]1CCN(CC(=O)Nc2cc(C)nn2-c2ccccc2F)C1 1116541510 GVYUUCQSPONFML-OAHLLOKOSA-N 358.417 2.535 30 40 FFEB CC(C)S(=O)(=O)c1ccc(/C(O)=N/S(=O)(=O)C2CCCCC2)cc1 58079578 OITNTCWFZPUWGK-UHFFFAOYSA-N 373.496 2.836 30 40 FFEB O=C(C[C@@H]1S/C(=N\CCc2ccccc2)NC1=O)Nc1ccccc1F 2631058 GYBHQUKYVXYMEF-INIZCTEOSA-N 371.437 2.985 30 40 FFEB COc1ccc(Cn2c(O)nc3cc(/C(O)=N/C4CC4)ccc3c2=O)cc1 3906612 IZWVMXTZNFIBOF-UHFFFAOYSA-N 365.389 2.626 30 40 FFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN[C@H]4CCCCNC4=O)[C@H]3C[C@@H]12 12660030 FNZXGPROFSMFFW-AWKGPRFZSA-N 360.498 2.559 30 40 FFEB biogenic COc1ccc(C2=NO[C@H](C(=O)Nc3ccc(C#N)cc3)C2)cc1OC 6738540 LZBWCLRADLFISX-SFHVURJKSA-N 351.362 2.707 30 40 FFEB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cccc(C#N)c2)c1 6839590 VRTMVVGUQLJTEA-UHFFFAOYSA-N 357.435 2.841 30 40 FFEB C=CCn1c(S[C@@H](C)C(=O)NC(=O)NCC)nnc1C1CCCCC1 3485634 OLDXBBKDGPNOHB-LBPRGKRZSA-N 365.503 2.838 30 40 FFEB Cc1ccc(Cn2c(=O)c(C#N)cc3c(=O)n4cccc(C)c4nc32)cc1 6809450 FXUDHMFVWFXDEU-UHFFFAOYSA-N 356.385 2.546 30 40 FFEB CCCCN1C(=O)N[C@@H](c2ccc(C#N)cc2)C(C(=O)OCCOC)=C1C 8427665 BBZZTLSDDQOJGH-SFHVURJKSA-N 371.437 2.888 30 40 FFEB N=c1sc2nc3ccccc3nc2n1/N=C/c1ccc([N+](=O)[O-])cc1 408719523 FNKBJYVMHDKKSD-MLGOSFMOSA-N 350.363 2.916 30 40 FFEB CCc1ccccc1N=C[C@@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O 408537249 UTZRNQHYZLDHFX-FAYQHZLMSA-N 353.422 2.835 30 40 FFEB CC[C@H](C)n1c(C#N)cc(N)c1N1CCN(c2ccc3c(c2)OCO3)CC1 225871313 UUCGGBMCXUPPJM-AWEZNQCLSA-N 367.453 2.968 30 40 FFEB CN(C)c1cc(C#N)cc(C(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 590097580 YUDPHUQAJSBUDT-OXQOHEQNSA-N 352.482 2.713 30 40 FFEB O=C(c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1)N1CCC[C@H](O)C1 12224584 YJCYTNWQAJYHTN-NRFANRHFSA-N 371.440 2.869 30 40 FFEB C=C1C(=O)[C@]23[C@@H](OC(C)=O)[C@@H]1CC[C@@H]2[C@@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O 257477100 LSUXOKVMORWDLT-DFUKJMPISA-N 374.477 2.846 30 40 FFEB biogenic CC(C)c1nc(OCCN2CCOCC2)c(C#N)c2c1COC(C)(C)C2 20676496 QNUQECKUSZVNLL-UHFFFAOYSA-N 359.470 2.639 30 40 FFEB O=c1[nH]c(O)c(/C=N/c2cccc(Cl)c2)c(=O)n1-c1ccc(F)cc1 104228310 YRRAKXZXFDXYBE-AWQFTUOYSA-N 359.744 2.775 30 40 FFEB COc1cc(OC)cc(/C(O)=N/S(=O)(=O)Cc2ccc(Cl)nc2)c1 58151024 IPXLVKWTKXJNCH-UHFFFAOYSA-N 370.814 2.587 30 40 FFEB N#CCCN(C(=O)COC(=O)Cn1cnc2ccccc21)c1ccccc1 3306115 IDXPMTGBERLERU-UHFFFAOYSA-N 362.389 2.526 30 40 FFEB C=CCc1cc(/C=N/Nc2nc3ccccc3[nH]c2=O)cc(OC)c1O 16692618 VFRPRYFSDGUTIN-RGVLZGJSSA-N 350.378 2.812 30 40 FFEB C#CCOc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1Cl 409358256 KWHNVYVOMVBAGJ-UHFFFAOYSA-N 353.765 2.650 30 40 FFEB CC(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(Cl)cc1Cl 19882052 OTUQWINDZHDOBY-CQSZACIVSA-N 357.237 2.839 30 40 FFEB CSc1nc(N[C@@H]2CCS(=O)(=O)C2)c(C#N)c(-c2ccc(C)cc2)n1 19820574 ITXQJZVKZPQIKA-CYBMUJFWSA-N 374.491 2.645 30 40 FFEB C=CCN1CCC2(CC1)C[C@@H](NC(=O)c1csnn1)c1ccccc1O2 96242788 ONKCDRODGIFRFT-OAHLLOKOSA-N 370.478 2.812 30 40 FFEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/N=C/c3ccccc3)NC2=O)cc1 16956681 JHRWBGTXJLHTJF-DDLUMYACSA-N 366.446 2.945 30 40 FFEB COC(=O)c1cc2ccccc2cc1OCC(=O)N[C@@](C)(C#N)C1CC1 40159119 WPBWCGVCEHVWGX-FQEVSTJZSA-N 352.390 2.814 30 40 FFEB N#Cc1ccc([C@H]2C([N+](=O)[O-])=C(N)Oc3c2c(=O)oc2ccccc32)cc1 1070314 ZKMSGLLJUTYOPH-CQSZACIVSA-N 361.313 2.593 30 40 FFEB Cc1c(C#N)c(NC(=O)CN(C)Cc2ccco2)n(C[C@@H]2CCCO2)c1C 12601218 IXHTXLRBNUREQF-KRWDZBQOSA-N 370.453 2.819 30 40 FFEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cccc(C(=O)OC)c1 8254579 BNOSIYJBNAPLPQ-GRDNDAEWSA-N 359.495 2.656 30 40 FFEB biogenic,in-vitro COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccc(O)cc1 13207987 VZEIZPPNDPGELH-INIZCTEOSA-N 357.362 2.518 30 40 FFEB C=C(C)Cn1c(=O)n(CCO)c(=O)c2c3c(sc21)CCc1ccccc1-3 71281018 PFNMGRJUBGVSKY-UHFFFAOYSA-N 368.458 2.559 30 40 FFEB C[C@@H](c1cccc(F)c1)N1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 182500013 FVRPUAYUKVBGED-HNNXBMFYSA-N 373.453 2.765 30 40 FFEB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)C(=O)O)cc1 218105327 WBWHPOVJCKOFNT-LMMKCTJWSA-N 371.414 2.538 30 40 FFEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1cc(F)ccc1OC 223690708 WYKSFDCHMZZSFF-UHFFFAOYSA-N 364.398 2.551 30 40 FFEB O=C(Cc1csc(-c2ccccc2Cl)n1)ON1C(=O)CCC1=O 1738810242 WPLXQNLKPPKUQV-UHFFFAOYSA-N 350.783 2.613 30 40 FFEB C=CCc1ccc(OC[C@@H](O)Cn2c(=O)cnc3ccccc32)c(OC)c1 31560642 GUDMLAAMANDEIU-INIZCTEOSA-N 366.417 2.574 30 40 FFEB N#Cc1ccc(CN2CCCN(Cc3nnc(-c4ccco4)o3)CC2)cc1 22850286 HLRSRYJRXIQFIN-UHFFFAOYSA-N 363.421 2.909 30 40 FFEB O=S(=O)(c1ccc(N/N=C/c2ccccc2F)nc1)N1CCCCC1 6784350 BECUBMMTXHLVNS-UDWIEESQSA-N 362.430 2.841 30 40 FFEB Cc1ccccc1N1/C(=N\C(=O)CC(C)C)S[C@@H]2CS(=O)(=O)C[C@@H]21 101312102 SSQPQCCBSXNMAQ-WPIBOPBSSA-N 366.508 2.643 30 40 FFEB COc1ccc(C(=O)/C=C/N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 100744906 ARSZJSLBICRBET-FKLRVFMWSA-N 350.418 2.673 30 40 FFEB N#Cc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1 23408975 DTQFTOSSBJJPDX-LJQANCHMSA-N 353.397 2.501 30 40 FFEB CC1(c2ccccc2)CC(/C(CN2CCSCC2)=N/NC(N)=S)C1 20528640 XBSKJQPBPIJWDI-CAPFRKAQSA-N 362.568 2.592 30 40 FFEB C[C@@](C#N)(NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O)C1CC1 6087308 XDCRBBYFLHKJEX-INIZCTEOSA-N 365.220 2.512 30 40 FFEB CC1(C)CC(=O)C=C(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1 7003532 WUZMJFCUEMUSDC-MDWZMJQESA-N 374.506 2.878 30 40 FFEB Fc1ccccc1Nc1nc2nonc2[nH]c1=N/N=C/c1cccs1 408973711 PNOVXILLKBDTKV-CAOOACKPSA-N 355.358 2.825 30 40 FFEB NC(=S)N/N=C1\CCCC[C@H]1C(O)(C(F)(F)Cl)C(F)(F)Cl 18063085 AWCNYHYGKNOLOT-ILASXXMRSA-N 370.199 2.760 30 40 FFEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCN(Cc3cnn(CC)c3)CC1)C2 19524952 RRVTWMHLIZYARK-RXVVDRJESA-N 356.514 2.930 30 40 FFEB O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(CCO)[C@H]1c1ccccc1F 17748966 QIVQKIVBIHNKRV-VYENPZKTSA-N 367.376 2.796 30 40 FFEB Cc1c(C(=O)N2CCOCC2)sc(NC(=O)Cc2ccccc2)c1C#N 871380 DSTIDULMAYBCHI-UHFFFAOYSA-N 369.446 2.582 30 40 FFEB COc1ccc2nc(SCC(=O)Nc3nonc3C)c(C#N)cc2c1 1354649 LFPJGPRDXOXXAU-UHFFFAOYSA-N 355.379 2.537 30 40 FFEB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CNc1ccc(C#N)cc1 11155679 NRRVGKZBVQPCLU-UHFFFAOYSA-N 356.813 2.721 30 40 FFEB O=C1C2=C(C=C/C1=C1\Nc3ccccc3C1=O)C(=O)c1ccccc1[C@@H]2O 100643778 HNSCANPQNGSUPL-POLXVDLBSA-N 355.349 2.914 30 40 FFEB C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CCOc2ccccc2C#N)C1=O 47354305 DZKIOBAWOWGBGB-IBGZPJMESA-N 371.343 2.682 30 40 FFEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H](C)OC[C@@H]2CCCCO2)c(C)c1 64099639 YAEHVMJHRDFKLS-CABCVRRESA-N 355.456 2.923 30 40 FFEB O=c1c2[nH]c3ccc(Cl)cc3c2nc(O)n1/N=C/c1ccc(O)cc1O 17058117 PFJBQYAELKMJFY-FBCYGCLPSA-N 370.752 2.530 30 40 FFEB C/C(=N\OCC(=O)N1CCC(c2ccccc2)=N1)c1ccc2c(c1)CCO2 98055579 PFPBJCHPHJETIC-HZHRSRAPSA-N 363.417 2.999 30 40 FFEB COc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(CC#N)cc2)c(OC)c1 95989802 DLOOBQKOTSSXEW-KRWDZBQOSA-N 368.389 2.716 30 40 FFEB C#C[C@](C)(CC)OC[C@@H](O)CN1CCN(c2cccc(Cl)c2)CC1 12421431 UERUPUAVVXIPPP-RBUKOAKNSA-N 350.890 2.641 30 40 FFEB COc1cc([C@H]2C3=C(CCCC3=O)Nc3ncnn32)ccc1OC(F)F 1460557 XRRUVYMWMINLRC-HNNXBMFYSA-N 362.336 2.910 30 40 FFEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)ccc1C 101312883 NKQUDKCPKGZFEQ-WPIBOPBSSA-N 366.508 2.705 30 40 FFEB COc1ccc(/C=N/c2ccccc2Oc2cc(=O)n(C)c(=O)n2C)cc1 1296437 YTSLJFGMUOJPNZ-FYJGNVAPSA-N 365.389 2.636 30 40 FFEB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC#N)c1 3351572 RXIJOPJKTCQMNF-CYBMUJFWSA-N 356.403 2.507 30 40 FFEB C#CCC(C)(C)OC[C@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1 28295212 RQAGBSXMOXATRH-GOSISDBHSA-N 364.917 2.950 30 40 FFEB CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)NC1CCCCCC1 28915541 NHIGVLWHKZQKMI-YVLHZVERSA-N 352.500 2.857 30 40 FFEB C=CCN(C(=O)c1nc2nccc(C)n2n1)c1nc2c(s1)CCCC2 9513495 FKOHIOIBVVFPBX-UHFFFAOYSA-N 354.439 2.601 30 40 FFEB N#CCCCS(=O)(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 79108146 NBIJEXQTWSKGHR-UHFFFAOYSA-N 369.918 2.871 30 40 FFEB N#Cc1cccc2c1CCN2C(=O)CCNC(=O)N1CCc2ccccc2C1 516964278 QJPVADUEHCWPLH-UHFFFAOYSA-N 374.444 2.605 30 40 FFEB N#Cc1c(NC(=S)NC(=O)c2ccc3c(c2)OCO3)sc2c1CCC2 32127147 TXRQQQIOTVGTEH-UHFFFAOYSA-N 371.443 2.964 30 40 FFEB C=CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 223845456 JGAYESSOPVFEBX-UHFFFAOYSA-N 372.446 2.961 30 40 FFEB C=CCN1CCC2(CC1)C[C@H](NC(=O)c1csnn1)c1ccccc1O2 96242787 ONKCDRODGIFRFT-HNNXBMFYSA-N 370.478 2.812 30 40 FFEB N#Cc1nc([C@H]2C[C@@H]2c2ccc(F)cc2)oc1N1CCC(C(N)=O)CC1 1775975093 DNYFPFKQEKPZRA-CABCVRRESA-N 354.385 2.658 30 40 FFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccn(CCc2ccncc2)n1 58217658 RPXAXGUKTYWFRL-HNNXBMFYSA-N 361.405 2.798 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1/N=C/c1coc2ccc(Cl)cc2c1=O 16431156 SWRGUJZIXKHOAA-VFFLVZSOSA-N 368.776 2.587 30 40 FFEB CN(CN(C)/N=C\c1ccccc1[N+](=O)[O-])/N=C\c1ccccc1[N+](=O)[O-] 17352800 TYYSGWJJGYOROP-ZAORYEFMSA-N 370.369 2.692 30 40 FFEB N#Cc1cccnc1N1C[C@H]2CN(c3ncnc4ccc(F)cc34)C[C@@H]2C1 2086866183 OZPXBSIUYCJKBS-GJZGRUSLSA-N 360.396 2.608 30 40 FFEB N#Cc1nc(-c2ccc(COc3ccccc3)o2)oc1N1CCNCC1 40165731 POFSJFMFVOUUJS-UHFFFAOYSA-N 350.378 2.795 30 40 FFEB CCOc1ccc([C@H]2/C(=C(/C)O)C(=O)C(=O)N2Cc2cccnc2)cc1 102438013 PADIYGNVDJLJRB-KJCUYJGMSA-N 352.390 2.965 30 40 FFEB O=C1C=C(COc2ccc3c4c(c(=O)oc3c2)CCC4)N=C2SC=N[C@H]12 101407570 RRJRBDJXJXXCEI-QGZVFWFLSA-N 366.398 2.669 30 40 FFEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(N2CCCCCC2)o1 409407684 NQAZTGGMZZBHJC-DFEHZGFQSA-N 353.422 2.801 30 40 FFEB COc1ccc(Br)c(NCC(=O)NC2(C#N)CCCC2)c1 58202370 BDGXFEPOJURSFX-UHFFFAOYSA-N 352.232 2.822 30 40 FFEB CCOc1ccccc1OC1CCN(CC(=O)NC2(C#N)CCCC2)CC1 58245329 AAAQLDUXUJNXKH-UHFFFAOYSA-N 371.481 2.881 30 40 FFEB C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O 58200993 DWPFQFRROBTUHL-LJQANCHMSA-N 367.792 2.862 30 40 FFEB COc1ccc(CCN(C)C(=O)COc2cccc(C#N)c2)cc1OC 3325268 PZDBFCIJGSHDFV-UHFFFAOYSA-N 354.406 2.655 30 40 FFEB C[C@@H](NS(=O)(=O)c1ccccc1C#N)c1ccc(-n2ccnc2)cc1 7050236 YFEUXIXSDAVCQW-CQSZACIVSA-N 352.419 2.783 30 40 FFEB CCC/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)S1 7883158 TYYALNWIIPDGRA-NSHDSACASA-N 370.272 2.775 30 40 FFEB CCCC1(CCC)NC(=O)N(CC(=O)Nc2ccc(CC#N)cc2)C1=O 8126370 PSIWONLHGUWNAW-UHFFFAOYSA-N 356.426 2.582 30 40 FFEB COc1ccc(NC(=O)[C@@](C)(C#N)c2ccc(Cl)cc2)cc1C(N)=O 225961087 VPFUCTPAWNTVBZ-SFHVURJKSA-N 357.797 2.867 30 40 FFEB N#Cc1cccc(N2CCOC[C@]3(CCCN(c4nncs4)C3)C2)c1 96076761 HZDAQCGNHIEGSB-GOSISDBHSA-N 355.467 2.533 30 40 FFEB N#Cc1nn(-c2ccc(F)cc2)nc1N1CCN(Cc2ccccc2)CC1 256046764 HXJWYWZITQSRRY-UHFFFAOYSA-N 362.412 2.600 30 40 FFEB CNC(=O)c1cccc(NC(=O)COc2c(Cl)cc(C#N)cc2OC)c1 9315513 OVVXDCPUJQPSFN-UHFFFAOYSA-N 373.796 2.597 30 40 FFEB C#CCN(C[C@@H]1CCCO1)C(=O)NCCCc1nc2c(s1)CCCC2 89261626 GEXMEAIZQSTMKV-HNNXBMFYSA-N 361.511 2.778 30 40 FFEB COCCNC(=S)NCCCNc1nc2cc(C)cc(C)c2cc1C#N 20151208 QOXUFRLFXLDSPN-UHFFFAOYSA-N 371.510 2.636 30 40 FFEB N#Cc1ccc(NC(=O)COC(=O)[C@H]2COc3ccccc3O2)cc1Cl 6583168 LWQHNGQAUYCTSO-MRXNPFEDSA-N 372.764 2.533 30 40 FFEB O=S1(=O)CC/C(=N/NCc2cc(F)ccc2F)c2cc(F)ccc21 84344177 JEEVRTNQZPRXJT-QNGOZBTKSA-N 354.353 2.775 30 40 FFEB C[C@@H]1CN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@@H]4C[C@H]23)C[C@@H](C)O1 35361383 ZHQRYBIJOKTXQH-VVJFVSEYSA-N 363.498 2.623 30 40 FFEB CCNC(=S)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 33609732 PLLXPGWQRSANFZ-RGVLZGJSSA-N 357.435 2.782 30 40 FFEB CC1(C)CC(=O)C2=C(C1)OC(=O)[C@]2(NCc1cccnc1)C(F)(F)F 96230934 DKZNVFFGNVYXFO-INIZCTEOSA-N 354.328 2.672 30 40 FFEB Cc1ccc(N2N[C@@H](C)C=C2OS(=O)(=O)c2ccc(C(=O)O)cc2)cc1 11691665 QNSKQJANCDFXTM-ZDUSSCGKSA-N 374.418 2.653 30 40 FFEB C#C[C@@](C)(CC)OC[C@@H](O)CN1CCN(c2cccc(Cl)c2)CC1 12421430 UERUPUAVVXIPPP-OALUTQOASA-N 350.890 2.641 30 40 FFEB CCc1cccc2c(C(=O)CN3CCN(C/C(O)=N/C4CC4)CC3)c[nH]c12 22786708 OMIICMMKPBPGQR-UHFFFAOYSA-N 368.481 2.650 30 40 FFEB C[C@H]1Oc2ccccc2N(CCC(=O)N(CC#N)Cc2ccccc2)C1=O 54246228 PRKSDIMUCBLFJA-MRXNPFEDSA-N 363.417 2.743 30 40 FFEB C=CCn1nnnc1NCc1ccc(-c2ccc(C(=O)OCC)cc2)o1 7602100 WHZCAOPDQMOFRJ-UHFFFAOYSA-N 353.382 2.908 30 40 FFEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 101300847 KPEQTZRZUOPQFM-YXEAAEFPSA-N 372.899 2.742 30 40 FFEB COc1cc(C#N)ccc1OCc1nc(N)nc(Nc2ccc(C)cc2)n1 12557359 ZDBSNOIEXXJVCT-UHFFFAOYSA-N 362.393 2.965 30 40 FFEB C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(Cc2ccsc2)CC1 22931300 KGLOSPKLWMCTQJ-OAHLLOKOSA-N 354.479 2.765 30 40 FFEB C=CCn1c(SCC(=O)c2ccc(O)cc2O)nc2ccccc2c1=O 6313063 DDMJKRXXMOLEPA-UHFFFAOYSA-N 368.414 2.969 30 40 FFEB C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1 17156736 CRITYFLGGKDYGO-MRXNPFEDSA-N 372.490 2.902 30 40 FFEB Cc1noc(C)c1CN1Cc2cccn2C[C@@H](Oc2ccc(C#N)cn2)C1 306128400 GZJPWYTZHPJLTF-SFHVURJKSA-N 363.421 2.823 30 40 FFEB CCOC[C@]1(C#N)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Br)cc1 218190436 CKGXFOMIYWVMJF-IHRRRGAJSA-N 358.257 2.506 30 40 FFEB COC[C@@H](C)/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)S1 15353605 BUAUMXNMBFNHSO-ZWNOBZJWSA-N 369.874 2.600 30 40 FFEB N#Cc1nc(COc2cccc(Cl)c2)oc1NCCN1CCOCC1 20394232 PURCAPKHVVRSIU-UHFFFAOYSA-N 362.817 2.523 30 40 FFEB CCC(=O)C1=C(c2cccc(OC)c2)N(C(=O)CC)n2c(C)nnc2S1 4518241 LDNOKAYOPHIKNW-UHFFFAOYSA-N 372.450 2.923 30 40 FFEB N#Cc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1 7371689 MSJORBHJIZREOH-UHFFFAOYSA-N 355.825 2.939 30 40 FFEB Cc1ccc2c(C)nc(/N=C(/N)NCc3ccc([N+](=O)[O-])cc3)nc2c1 59383122 VAOXUHKHYVSWDI-UHFFFAOYSA-N 350.382 2.891 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 9374897 OQLNQPZIBKFFIW-MRXNPFEDSA-N 368.345 2.812 30 40 FFEB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CS/C(N)=N/C1CCCC1 29474175 IHNYVEPOBADQRH-LBPRGKRZSA-N 360.483 2.741 30 40 FFEB CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccccc1C#N 12807019 BFDZCNFIJSFUPX-UHFFFAOYSA-N 366.446 2.624 30 40 FFEB C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224824715 VRNVSABMVQOBBC-UHFFFAOYSA-N 361.419 2.848 30 40 FFEB CSc1ncc(Cl)c(C(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)n1 3186732 FNYCYLYUZUQKDP-SECBINFHSA-N 371.809 2.578 30 40 FFEB Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2cnc(C)cn2)c1 3379780 MZQLQLLLWXTGDE-UHFFFAOYSA-N 352.394 2.506 30 40 FFEB N#Cc1cc2ccccc2nc1N1CCC[C@H](C(=O)N2CCSCC2)C1 1889139283 LURCBXITJVTFLL-INIZCTEOSA-N 366.490 2.898 30 40 FFEB C=CCOc1ccccc1C(=O)Nc1nc(CN2CCOCC2)cs1 23188633 IZHZVIJPZPGAJN-UHFFFAOYSA-N 359.451 2.792 30 40 FFEB COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)OC(N)=C2[N+](=O)[O-])ccc1O 1060083 PIJGFCFEMLFZKI-CQSZACIVSA-N 360.366 2.562 30 40 FFEB CCCn1c2c(c(=O)n(C)c1=O)C(=O)/C(=C\c1ccc3ccccc3c1)N2 105628156 BIUCPMKZRQHREA-FOWTUZBSSA-N 361.401 2.760 30 40 FFEB CCOc1ncccc1CNC(=O)c1c(C)oc(-n2cccc2)c1C#N 31324202 KQZJJVARXLNKRH-UHFFFAOYSA-N 350.378 2.974 30 40 FFEB COc1ccc(Cn2nnnc2SCCOc2ccc(C#N)cc2)cc1 11622103 XOFSEMASUCXPQY-UHFFFAOYSA-N 367.434 2.773 30 40 FFEB C=CCNC(=O)c1ccc(CN(c2cccc(C)c2)S(C)(=O)=O)cc1 10332476 IXYCXTGPTVFCEG-UHFFFAOYSA-N 358.463 2.877 30 40 FFEB O=C1CCCc2cc(S(=O)(=O)OCC(F)(F)C(F)F)ccc2N1 55949292 OEQKAOIUDDELQP-UHFFFAOYSA-N 355.309 2.567 30 40 FFEB N#Cc1ncn(CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)n1 14144502 AETRTLXKMQHWST-UHFFFAOYSA-N 361.409 2.632 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 5445551 DYOKPQDAEBAPNP-INIZCTEOSA-N 368.345 2.812 30 40 FFEB CCN(Cc1ccc(OC)c(OC)c1)C[C@H](O)COc1ccc(C#N)cc1 25234600 ODQOJURRKIHSSC-SFHVURJKSA-N 370.449 2.837 30 40 FFEB C=CCN(CC=C)C(=O)Cn1nc(-c2ccc(Cl)cc2)c(OC)cc1=O 96184181 APJNHEJDTILOFN-UHFFFAOYSA-N 373.840 2.773 30 40 FFEB Cc1[nH]c(C#N)cc1C(=O)N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 685943360 VAUAQBDETONPIY-DJJJIMSYSA-N 351.410 2.649 30 40 FFEB COc1ccc2nc(N=C3NCN(C4CCCCC4)CN3)nc(C)c2c1 19332627 VUDHALVPYWSQBE-UHFFFAOYSA-N 354.458 2.677 30 40 FFEB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)c1C 9835494 XNBTYBNDYCZASE-AWEZNQCLSA-N 359.426 2.722 30 40 FFEB COc1cc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)ccc1O 4721303 BMKHPDUCOITCSC-CYBMUJFWSA-N 358.438 2.837 30 40 FFEB N#CC1(C#N)[C@@H]2c3ccccc3C=CN2[C@@H](C(N)=O)[C@@H]1c1ccc(F)cc1 19798098 HVCZTRFWMLVDJU-OTWHNJEPSA-N 358.376 2.838 30 40 FFEB C#CCn1/c(=N/C(=O)[C@@H]2COc3ccccc3O2)sc2cccc(C)c21 100910430 LMLBYOXOHJSQNU-JHBCHSCWSA-N 364.426 2.912 30 40 FFEB COc1cccc(/N=C2\NC(=O)/C(=C3/C(=O)Nc4ccccc43)S2)c1 1235849 KNJRMGRJTRYVBZ-PFONDFGASA-N 351.387 2.909 30 40 FFEB CS(=O)(=O)CCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 78710552 FSMZITMJXMYYGM-UHFFFAOYSA-N 359.407 2.517 30 40 FFEB CCN(CC)CC#CCOC(=O)[C@](O)(c1ccccc1)c1cccs1 1558426 YDVLSGWXSXZBLZ-FQEVSTJZSA-N 357.475 2.872 30 40 FFEB O=C1C(Cl)=C(N[C@H](Cc2ccccc2)C(=O)O)C(=O)c2ccccc21 2347373 AYFLTZYOWGIUKT-CQSZACIVSA-N 355.777 2.802 30 40 FFEB Cc1oc(NC(=O)COC(=O)c2ccc(Br)o2)c(C#N)c1C 12925423 BIRFJRVZJJHTQP-UHFFFAOYSA-N 367.155 2.919 30 40 FFEB Cc1cnc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cn1 6348426 DXFBMTRAPWNXFG-JTQLQIEISA-N 370.434 2.639 30 40 FFEB N#Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 5868222 OIIWXXMDTDZCNO-UHFFFAOYSA-N 353.769 2.810 30 40 FFEB CC/N=C1\S/C(=C\c2cc(OC)c(OC)cc2[N+](=O)[O-])C(=O)N1CC 408845738 HETKVYVBKASUET-KCVVHCRDSA-N 365.411 2.924 30 40 FFEB Cc1csc([C@H](C#N)C(=O)CSc2nnc(NC3CC3)s2)n1 7935137 LWPFOURHJDVTNE-SECBINFHSA-N 351.482 2.846 30 40 FFEB COc1ccc([C@@]2(C)NC(=O)N(Cc3ccccc3C#N)C2=O)cc1OC 8726251 JIVCFHYQQJTYJP-HXUWFJFHSA-N 365.389 2.543 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1/N=C/c1c(O)ccc2ccccc12)[C@@H]1C[C@H]31 222245946 QQRCACCILUTOLS-FGZGGQMVSA-N 358.397 2.932 30 40 FFEB Cc1onc(CC(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1C#N 331376258 DXYCLRISOVGDJY-YJBOKZPZSA-N 357.385 2.915 30 40 FFEB C=CC/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)S1 12583169 XZORQTGJOHBAMT-NSHDSACASA-N 368.256 2.551 30 40 FFEB CCOc1ccccc1/C=N/c1ccc(S(=O)(=O)N2CCOCC2)cc1 670924 QIQAGDSKHXFIDP-HMMYKYKNSA-N 374.462 2.857 30 40 FFEB N#CCCN(Cc1cccnc1)S(=O)(=O)c1ccc(F)c(Cl)c1 42136850 JUDOWUSRRSBDGM-UHFFFAOYSA-N 353.806 2.979 30 40 FFEB COc1ccc(C(=O)O/N=C(\N)c2nc3ccc(OC)cc3s2)cc1 8576650 OJQFKZIVLWEYJI-UHFFFAOYSA-N 357.391 2.791 30 40 FFEB C=CCNC(=O)c1c(N)n(/N=C/c2ccco2)c2nc3ccccc3nc12 2193239 JKQYPDHPIYJFCQ-SSDVNMTOSA-N 360.377 2.558 30 40 FFEB O=C1C(=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)c2ccccc21 59490081 DPBFVVZPZGGXND-UHFFFAOYSA-N 364.357 2.894 30 40 FFEB Cc1ccc(NC(=O)COC(=O)c2ccc(C#N)cc2F)cc1[N+](=O)[O-] 409215604 CDNWXDOSZMYWTJ-UHFFFAOYSA-N 357.297 2.710 30 40 FFEB O=C1O[C@]2(C(=O)Nc3ccccc32)C(C(=O)c2ccc(Cl)cc2)=C1O 66087581 LYHLNZTXRQIFEN-SFHVURJKSA-N 355.733 2.739 30 40 FFEB C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)C1=O 409141022 GTVLVGLEUDISCL-IZZDOVSWSA-N 371.176 2.536 30 40 FFEB C#CC[C@@H](CC(F)(F)F)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 583651298 KITJDJYECREYNH-MNOVXSKESA-N 374.309 2.778 30 40 FFEB CN(C)[C@@H]1CCC[C@@H]1NC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1776007653 RFNWNNGPDRKXRY-JKSUJKDBSA-N 365.327 2.737 30 40 FFEB CCCOc1ccc(-c2nc(C#N)c(NCCN3CCOCC3)o2)cc1 20358227 UKLZTJSWOBVQKC-UHFFFAOYSA-N 356.426 2.746 30 40 FFEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N/Nc1cccc([N+](=O)[O-])c1 101426753 COYIFMRLBNLJLS-OBGWFSINSA-N 368.309 2.694 30 40 FFEB O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)/C(=C(\O)c2ccc(Cl)cc2)C1=O 102801892 SGGOCXDSLPJAMS-SXWSKBOKSA-N 358.737 2.958 30 40 FFEB COc1ccc(O)c(/C=N/N=C2/NC(=O)/C(=C\c3ccccc3)S2)c1 59488908 ACVTZABKXXSFDP-HVWAQGSWSA-N 353.403 2.995 30 40 FFEB CNC(=O)[C@@H](C)CN(C)C(=O)Nc1cccc(C#Cc2cccs2)c1 75092590 KQBYSETUMVAMER-AWEZNQCLSA-N 355.463 2.994 30 40 FFEB CCN(CC)S(=O)(=O)c1cccc(/N=C2\C(=O)N(C)c3ccccc32)c1 105242801 MKPZWNGYUKTDCR-ZZEZOPTASA-N 371.462 2.814 30 40 FFEB CC(C)[C@@](C)(C#N)NC(=O)COc1ccc(C(=O)NC2CCCC2)cc1 58203315 HQGADTDYKWKGOQ-HXUWFJFHSA-N 357.454 2.792 30 40 FFEB CCOc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(Cl)c1O 409356508 HDMYWONKDQRBIY-UHFFFAOYSA-N 359.769 2.742 30 40 FFEB Cc1cc(OCC(=O)Nc2ccc(C#N)cc2)nc(N2CCC(C)CC2)n1 65101723 OGRPORUAKJADNO-UHFFFAOYSA-N 365.437 2.911 30 40 FFEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[nH]c(=O)c1[C@@H]2c1cccc(Cl)c1 4487892 HAWAXKNCHUXFON-CYBMUJFWSA-N 371.824 2.917 30 40 FFEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1c(C)cccc1C 5338811 KRSNXWFYRSSFDA-YQTDRKPDSA-N 366.508 2.705 30 40 FFEB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C 5326626 IPYFDNFATOTLDY-KRWDZBQOSA-N 365.455 2.535 30 40 FFEB CCCCn1c(SCC#N)nc2cc(S(=O)(=O)N(C)C)ccc21 5435732 JHFYPMZPSARZTI-UHFFFAOYSA-N 352.485 2.702 30 40 FFEB N#Cc1ccc(Cn2c(C[C@H]3CCS(=O)(=O)C3)nc3ccccc32)cc1 6590113 XCXBWYOQLNNADY-QGZVFWFLSA-N 365.458 2.933 30 40 FFEB CSc1nc(N[C@H]2CCS(=O)(=O)C2)c(C#N)c(-c2ccc(C)cc2)n1 19820576 ITXQJZVKZPQIKA-ZDUSSCGKSA-N 374.491 2.645 30 40 FFEB CCOc1ccc([C@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)cc1OC 409148448 YSUGCPAKKJKYSG-MRXNPFEDSA-N 373.405 2.558 30 40 FFEB O=c1c2[nH]c3ccc(Br)cc3c2ncn1/N=C/c1ccncc1 2271754 PPZRSYOLZCVKJZ-DNTJNYDQSA-N 368.194 2.918 30 40 FFEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccccc1OC 4944617 OGDQBERFLVYDLD-GFCCVEGCSA-N 357.435 2.541 30 40 FFEB CCCN(Cc1ccc(C)cc1)C(=O)CSc1nc(N)cc(N)c1C#N 12600785 IPVNOYFIFGYBBM-UHFFFAOYSA-N 369.494 2.957 30 40 FFEB C/N=C1/S/C(=C/c2cc(Br)c(OC)cc2OC)C(=O)N1C 408928896 FTBKMGABNWBVOO-VQGSKFNHSA-N 371.256 2.998 30 40 FFEB N#Cc1ccccc1-c1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)o1 409403592 AENXPNBSIMGDJA-BIPCEHGGSA-N 357.369 2.959 30 40 FFEB COCc1nc([C@H]2CCCCN2C(=O)Nc2cc(C)cc(C#N)c2)n[nH]1 583365498 SYIRYEFDRXQOGS-OAHLLOKOSA-N 354.414 2.890 30 40 FFEB N#Cc1cccnc1N1C[C@@H]2CN(Cc3csc(C4CC4)n3)C[C@H]2C1 2086962036 NQRSRFKBDJBYBN-HOTGVXAUSA-N 351.479 2.855 30 40 FFEB COc1ccc(-c2n[nH]cc2/C=N\NS(=O)(=O)c2ccc(C)cc2)cc1 32575706 GRWZJUKMBMTUNF-NDENLUEZSA-N 370.434 2.706 30 40 FFEB CCOC(=O)/C(=C\Nc1sccc1C(=O)OC)C(=O)C(F)(F)F 100038427 WZTKARQTQUWAIC-VURMDHGXSA-N 351.302 2.525 30 40 FFEB C/C(=N\O[C@H](C)C(=O)NCC(F)(F)F)c1ccc(NC(=O)C2CC2)cc1 24757625 FVQWDNDKHPVVBV-QQUGTJAQSA-N 371.359 2.843 30 40 FFEB O=[N+]([O-])c1ccc(-c2cs/c(=N\N=C\c3ccc(O)cc3O)[nH]2)cc1 4676498 QHLCKWYSHVFJLH-CAOOACKPSA-N 356.363 2.997 30 40 FFEB COc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 5629736 PQIRLPCQGVQCNR-GFCCVEGCSA-N 354.362 2.744 30 40 FFEB O=[N+]([O-])c1cc(/C=N/Nc2nc3ccccc3[nH]2)ccc1N1CCOCC1 408591977 WVEZGUDASOXJDU-XDHOZWIPSA-N 366.381 2.754 30 40 FFEB N#Cc1cc(F)cc(C2(C(=O)NCCN=c3ccc4ccccc4[nH]3)CC2)c1 513280935 HUXWKBQFTSIUFN-UHFFFAOYSA-N 374.419 2.927 30 40 FFEB N#Cc1ccc(NCCc2ccc(S(N)(=O)=O)cc2)c(C(F)(F)F)c1 78551039 BHDMTGBGMLRICU-UHFFFAOYSA-N 369.368 2.879 30 40 FFEB COc1ccc(/C=N/NS(=O)(=O)c2ccc(Br)cc2)cc1 3277342 RHVYAOQMFKJVQK-MHWRWJLKSA-N 369.240 2.770 30 40 FFEB C[C@H]1[C@@]2(C)OC(=N)[C@@]1(C#N)C(C#N)(C#N)[C@@H](c1ccc([N+](=O)[O-])cc1)O2 101007297 BCTAXDDPLMJABR-KVQMYJSTSA-N 351.322 2.569 30 40 FFEB Cc1cccc(NC(=O)[C@H]2CC(=O)N/C(=N/N=C/c3ccco3)S2)c1 16977168 PIYYFPYNWFVVPO-YFEUJDIGSA-N 356.407 2.538 30 40 FFEB CS(=O)(=O)c1cccc(S(=O)(=O)/N=C(O)/C=C/c2ccsc2)c1 54487335 DJRGNOHWFTZLSJ-AATRIKPKSA-N 371.461 2.510 30 40 FFEB C[C@@]12C(=O)N(/N=C/c3ccccc3)CC(=O)N1CCc1c2[nH]c2ccccc12 4045995 BRKNRZIWGPCWRN-IGPUNGKJSA-N 372.428 2.644 30 40 FFEB biogenic C[C@@H](NC(=O)c1ccc(C#N)cn1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 95952916 DZXHTGLQEUMEKL-UKRRQHHQSA-N 358.442 2.719 30 40 FFEB NC(=O)COc1cccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)c1 409223523 FTWKETUEALZBTH-UHFFFAOYSA-N 367.401 2.679 30 40 FFEB C=CCOc1ccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 408622182 UVTTTXVEDFGLSB-UHFFFAOYSA-N 374.462 2.965 30 40 FFEB N#C[C@]1(N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218607405 YSUXMOJVPFRMHW-PMPSAXMXSA-N 350.802 2.640 30 40 FFEB N#C[C@@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 218506765 PMDUAGOOQXJPRP-ULQDDVLXSA-N 365.813 2.921 30 40 FFEB N#CCCN(C(=O)CN1CCC[C@@H]1c1nnc2ccccn12)c1ccccc1 52685954 AOOYOPQAMOZISU-GOSISDBHSA-N 374.448 2.813 30 40 FFEB COC(=O)c1cc(C#N)c(=O)n(Cc2nc(-c3cccs3)oc2C)c1 25064034 BLLBRPTXGXOGPC-UHFFFAOYSA-N 355.375 2.580 30 40 FFEB COc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2ccccc2Cl)C1=O 408535596 OFWIUHCUVIROEN-LLVKDONJSA-N 371.780 2.950 30 40 FFEB Cc1c(NC(=S)N/N=C\c2ccccc2)c(=O)n(-c2ccccc2)n1C 33336117 NBYQYIAUWVBTMX-MOSHPQCFSA-N 365.462 2.805 30 40 FFEB COc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1S(=O)(=O)NC(C)C 11367442 NSGWPJACVDJWQC-UHFFFAOYSA-N 373.434 2.506 30 40 FFEB N#Cc1ccc(NCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)nc1 32911858 RJXIBGMHLRGBFJ-UHFFFAOYSA-N 371.249 2.650 30 40 FFEB CN1CC[C@@H](C(=O)[C@H](C#N)c2ncc(C(F)(F)F)cc2Cl)CC1=O 41549650 ZZRIZAHXUDQBPK-PSASIEDQSA-N 359.735 2.798 30 40 FFEB COc1cc([C@H]2C(C(C)=O)=C(O)C(=O)N2Cc2ccccc2)ccc1O 1323064 ABQMACZUPRQPCZ-SFHVURJKSA-N 353.374 2.885 30 40 FFEB biogenic CN(Cc1cccc(OC(F)F)c1)S(=O)(=O)c1cccc(C#N)c1 57028924 LUOHIVOZNSVMBN-UHFFFAOYSA-N 352.362 2.980 30 40 FFEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)Cn1cnc2ccccc21 12661048 KUARECXJKSPORC-UHFFFAOYSA-N 368.780 2.743 30 40 FFEB COc1cc(/C(O)=N/S(=O)(=O)Cc2ccc(F)cc2)cc(OC)c1C 48567661 BBPIOCNKVAYACT-UHFFFAOYSA-N 367.398 2.986 30 40 FFEB Cc1ccccc1-n1c(C)nnc1SCC(=O)NC1(C#N)CCCC1 5619837 MJJXLKLLBIEITM-UHFFFAOYSA-N 355.467 2.929 30 40 FFEB N#Cc1c(/N=C/c2ccc(OCC(N)=O)cc2)sc2c1C1CCN2CC1 409218592 VVEBJYMCCQHBIQ-LSHDLFTRSA-N 366.446 2.932 30 40 FFEB CC(C)CCNc1nc(C(=O)OCC(=O)NC2(C#N)CCCC2)cs1 7353834 MESOPXLIUPVUQV-UHFFFAOYSA-N 364.471 2.710 30 40 FFEB CCc1nccn1[C@@H]1CCCN(/C(O)=N/Cc2cn3ccccc3n2)C1 329304723 OLPYYVHMBRIWAF-MRXNPFEDSA-N 352.442 2.844 30 40 FFEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N\Nc1ccc([N+](=O)[O-])cc1 12403899 POFXPSZHMIWPNR-SDXDJHTJSA-N 368.309 2.694 30 40 FFEB CC(=O)[C@]1(O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 118929660 AIFBIDNFLLKTLI-YRYMSBJSSA-N 364.457 2.757 30 40 FFEB C=CCn1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1cccc(C)c1 3400877 VXQULAVFZDMHOU-MRXNPFEDSA-N 372.494 2.827 30 40 FFEB N#CCCN(C(=O)COC(=O)C1CCCCC1)c1ccc2c(c1)OCCO2 6377174 STYXFCUHFYTLPY-UHFFFAOYSA-N 372.421 2.828 30 40 FFEB Cc1ccccc1-c1nnc(SCC(=O)N(CCC#N)CCC#N)o1 4927094 SXAAZRCPTUYUIL-UHFFFAOYSA-N 355.423 2.793 30 40 FFEB C=CCN(C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)c1ccccc1 7473455 XYYZQATZDQWVGV-FOIQADDNSA-N 355.438 2.706 30 40 FFEB C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CCC(=O)c2ccc(F)cc2)C1=O 92870291 RJDNIGPSOJFUAD-FQEVSTJZSA-N 365.364 2.737 30 40 FFEB COC[C@@H]1CCCN1C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@H]12 217492673 REILRXPTAKYZGI-JLKUWVSASA-N 363.498 2.624 30 40 FFEB C/C(=N/NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1F 38374573 YJEKOEFKRYKPFF-ZDLGFXPLSA-N 369.349 2.884 30 40 FFEB N#C[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218055796 RSPDIOUVWQPMMV-YQQAZPJKSA-N 361.806 2.874 30 40 FFEB N#C[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218381910 ZMDWMBXXSXOTSK-YQQAZPJKSA-N 361.806 2.874 30 40 FFEB Cc1noc(C)c1C(C)(C)/N=C(/O)c1cccc(S(=O)(=O)N(C)C)c1 330667857 JHZMPJNQWDYBKZ-UHFFFAOYSA-N 365.455 2.782 30 40 FFEB N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCc2c(cccc2C(N)=O)C1 585099490 NLLKGZJJYCHDRD-FQEVSTJZSA-N 374.444 2.802 30 40 FFEB COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H](C)CC#N 62580471 DHSGSNJQUBAMIW-SSDOTTSWSA-N 367.652 2.692 30 40 FFEB C=CCc1ccccc1OC[C@@H](O)CN1CCN(Cc2ccccc2)CC1 19367350 KUOVTMLCFKFKAI-QFIPXVFZSA-N 366.505 2.973 30 40 FFEB O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1)c1ccccc1 100886557 IDAWQJVAACQITB-CSIMIJJJSA-N 372.471 2.602 30 40 FFEB C[C@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)N1CCNC1=O 58160274 IWKRYMFIQVSVME-ZDUSSCGKSA-N 350.378 2.703 30 40 FFEB CCCCCCOc1ccc(/C=N/Nc2nc(=O)c(C)n[nH]2)cc1OC 11859666 RIORATQYIBFDTL-XDHOZWIPSA-N 359.430 2.887 30 40 FFEB C=CCN(CC=C)C(=O)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 4698584 AUXHSGMOOLAJKA-GOSISDBHSA-N 354.381 2.612 30 40 FFEB C#CCN1C(=O)S/C(=C\c2cc3c(cc2Br)OCO3)C1=O 408919293 WAEPUNJJDIWJMJ-XGICHPGQSA-N 366.192 2.847 30 40 FFEB N#Cc1ccc(-n2ccc(=NC(=O)N3[C@H]4CC[C@H]3CC(=O)C4)[nH]2)c(Cl)c1 333872071 PMHBQCPQXRPOKS-STQMWFEESA-N 369.812 2.547 30 40 FFEB C=CCN1C[C@@H]2CN(C(=O)c3ccsc3)CCC[C@]2(C(=O)OCC)C1 96055981 KIJUSQFMWILONJ-APWZRJJASA-N 362.495 2.651 30 40 FFEB C=CCN1CCOC2(CCN(C(=O)c3csnn3)CC2)c2ccccc21 96243961 ROSQHFFHUIXEAL-UHFFFAOYSA-N 370.478 2.692 30 40 FFEB CN1C(=O)/C(=N\OC(=O)c2ccc(Br)cc2)c2ccccc21 1212016 FLAGZLFLRLUWGK-JXAWBTAJSA-N 359.179 2.987 30 40 FFEB CC(C)Oc1nc2ccccc2nc1[C@@H](C#N)C(=O)NCc1ccco1 5484500 PLISZDANOZRIJQ-CQSZACIVSA-N 350.378 2.934 30 40 FFEB Cc1cc(C)n(-c2nncn2/N=C/c2ccc(F)c(Br)c2)n1 6189290 SCHCJEREXWBTKY-CNHKJKLMSA-N 363.194 2.864 30 40 FFEB CCOC(=O)/C(=N/C[C@@H]1CCCO1)NNc1cccc(C(F)(F)F)c1 3174669 KHCQNQHNVLSVOJ-ZDUSSCGKSA-N 359.348 2.763 30 40 FFEB O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(CCO)[C@@H]1c1ccccc1F 847023 QIVQKIVBIHNKRV-GNISGLHKSA-N 367.376 2.796 30 40 FFEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc(F)c(Br)c2)C(=O)O1 22344497 AQWWBRBVGFZMMC-LYKUJDHUSA-N 353.143 2.816 30 40 FFEB S=C(NC[C@@H]1CCCO1)N/N=C/C1=Cc2cc(Cl)ccc2OC1 54279972 CFHDOYNCCPKJKH-YUYIWDJPSA-N 351.859 2.745 30 40 FFEB C=CCNC(=O)CSc1nc(-c2ccccc2Br)n[nH]1 28806517 LGYLFIBFGHHYIV-UHFFFAOYSA-N 353.245 2.629 30 40 FFEB COc1ccccc1N1C[C@H](C(=O)OCc2ccccc2C#N)CC1=O 7985550 YVKLACVUKUCLEH-MRXNPFEDSA-N 350.374 2.663 30 40 FFEB Cc1occc1-c1nnc(SCC(=O)O)n1/N=C/c1ccc(O)cc1 13077887 PQESIKAKBYJOHR-CAOOACKPSA-N 358.379 2.611 30 40 FFEB N#Cc1ccccc1N=C[C@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408528474 BJDBAWIBYXLNBK-AWEZNQCLSA-N 366.764 2.813 30 40 FFEB CC(C)(C)C(=O)/C=C1/SCC(=O)N1CC(=O)NC1CCCCCC1 40159324 NHIGVLWHKZQKMI-LICLKQGHSA-N 352.500 2.857 30 40 FFEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1C 86053428 FSJBRAVKEVQARD-OVJMFRMASA-N 372.899 2.660 30 40 FFEB N#C[C@]1(CO)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515981 PAXUACGNGUBZNW-ZACQAIPSSA-N 365.813 2.921 30 40 FFEB N#CCc1c(C#N)nn(-c2ccccc2)c1NCn1nnc2ccccc21 3039296 JASPFHBQMOVTRW-UHFFFAOYSA-N 354.377 2.624 30 40 FFEB COc1ccc(Oc2cc(-n3nc(SC)c(C#N)c3N)ncn2)cc1 632883 XEHUHASYHNRATR-UHFFFAOYSA-N 354.395 2.639 30 40 FFEB COC(=O)/C(=N\Nc1ccccc1C)Sc1nnnn1-c1ccccc1 2201357 NYAVKJZYICDRHG-XDJHFCHBSA-N 368.422 2.661 30 40 FFEB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)O[C@H](C)C#N)cc1 3477621 ZEKJJRWNNRKNTA-CYBMUJFWSA-N 374.418 2.589 30 40 FFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](CC(=O)O)c1ccc(F)cc1 13178014 UMELNAGCKZSUAU-YVEFUNNKSA-N 356.353 2.797 30 40 FFEB C#CC[N+]1(CC#Cc2ccc(C#CC[N+]3(CC#C)CCCC3)cc2)CCCC1 4610670 MIMMKQJKJUBEQQ-UHFFFAOYSA-N 370.540 2.877 30 40 FFEB C=CCN1C(=O)c2ccc(C(=O)N(C)CCOc3ccccc3)cc2C1=O 18072773 YLKGECNYUOXEPQ-UHFFFAOYSA-N 364.401 2.620 30 40 FFEB Cc1occc1-c1nnc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)n1C 7236599 BCYCIQVEBXRPGF-SJKOYZFVSA-N 361.471 2.919 30 40 FFEB CC[C@H](O/N=C/C(=O)Nc1cccc(C)c1C)C(=O)Nc1cc(C)on1 16339356 IVEGJJKHGAQIHG-RPJLVFAOSA-N 358.398 2.958 30 40 FFEB COc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3cccc(Cl)c3)C2=O)c1 408535395 NXVAZWIWBDQJBB-OAHLLOKOSA-N 371.780 2.950 30 40 FFEB N#Cc1cnc(N2CCN(c3ccc(-c4ccco4)nn3)CC2)c(Cl)c1 1775976464 AIZUEQBDJNAVJY-UHFFFAOYSA-N 366.812 2.983 30 40 FFEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OCC)cc1 6316133 VHFYBPAQBQLYAT-UHFFFAOYSA-N 360.435 2.802 30 40 FFEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(N)nc(N)c32)cc1 10339093 JGQUUGWKFCIYIU-AWEZNQCLSA-N 365.437 2.850 30 40 FFEB Cc1nnc(NC2CCN(C(=O)c3ccccc3F)CC2)c(C#N)c1C 52243798 ZRPIABLVYRKKBZ-UHFFFAOYSA-N 353.401 2.821 30 40 FFEB COc1cc(NC(=O)[C@@H](C)O/N=C/c2cccc([N+](=O)[O-])c2)cc(OC)c1 24033903 XQYVDGLDIVMCOY-ZGXHQARYSA-N 373.365 2.990 30 40 FFEB N#Cc1ccc(N2CC[C@@H](N3CCO[C@@H](c4cccc(F)c4)C3)C2=O)cc1 66848271 MTLHDOCGPLZSOR-WOJBJXKFSA-N 365.408 2.876 30 40 FFEB Cn1ccnc1[C@H](/N=C(/O)C1CCN(CC(F)F)CC1)C1CCOCC1 329202080 VWDWBYYOXNJTFT-MRXNPFEDSA-N 370.444 2.821 30 40 FFEB COc1cc(C#N)ccc1OCC(=O)Nc1cc2c(cc1C(C)=O)OCO2 5629935 HLAOMDXQVDTOOF-UHFFFAOYSA-N 368.345 2.516 30 40 FFEB C=CCn1c(N2CCC(C(=O)NC[C@H]3CCCO3)CC2)nc2ccccc21 19016161 COMWSTBXLJZEKY-QGZVFWFLSA-N 368.481 2.734 30 40 FFEB O=C(O)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 19798492 LUIXBHYZGXFLKO-KRWDZBQOSA-N 351.358 2.740 30 40 FFEB biogenic CC1=C2[C@H]3OC(=O)[C@H](CN4C[C@@H](C)O[C@H](C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O 20114035 GDXMPYQBACNJOM-NKWSQFGKSA-N 359.466 2.509 30 40 FFEB biogenic NC(=S)N/N=C(/Cc1ccccc1)CC(O)(C(F)(F)F)C(F)(F)F 6574857 PCFADYHVEIBUEZ-NKVSQWTQSA-N 373.322 2.664 30 40 FFEB C=CCNC(=O)/C(=C/c1ccccc1F)NC(=O)c1ccc([N+](=O)[O-])cc1 3056153 UUTQSKHNFMHCHT-ATVHPVEESA-N 369.352 2.807 30 40 FFEB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(C#N)cc2)cc1 3338336 QSUZQPHDGYJCLV-UHFFFAOYSA-N 352.346 2.530 30 40 FFEB COC(=O)C1=CN(c2cccc(C#N)c2)c2cc(F)ccc2S1(=O)=O 64979291 DBIFJDAFKCSAHS-UHFFFAOYSA-N 358.350 2.637 30 40 FFEB C/C(=N\NC(=S)NC[C@H]1CCCO1)c1ccc(Cl)c([N+](=O)[O-])c1 5166357 WGLOZPWGTZTQEL-LBFZPMSMSA-N 356.835 2.615 30 40 FFEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccncc2)[C@@H]1c1cccs1 6419206 QSRYXDXMXTZHQK-UYTDBDHRSA-N 371.462 2.517 30 40 FFEB N#Cc1ccc(N2CC[C@@H](N3CCO[C@H](c4cccc(F)c4)C3)C2=O)cc1 66848270 MTLHDOCGPLZSOR-UXHICEINSA-N 365.408 2.876 30 40 FFEB CCCNC(=O)CCC/C(O)=N/S(=O)(=O)c1ccc(CCC)cc1 97595957 VAFVXFVZERPLGS-UHFFFAOYSA-N 354.472 2.981 30 40 FFEB CN(CCCC(=O)Nc1ccc(CC#N)cc1)S(=O)(=O)c1ccccc1 219712990 UIPUKGCHMQIUNF-UHFFFAOYSA-N 371.462 2.792 30 40 FFEB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)C#N)cc1 252516212 QNSADAPKWAPAFK-ZACQAIPSSA-N 362.838 2.509 30 40 FFEB Oc1ccccc1/C=N\CCOCCOCC/N=C\c1ccccc1O 17968965 DVPLVNRQOUXQGN-BMJUYKDLSA-N 356.422 2.669 30 40 FFEB COCCN1CCCC2(CCN(Cc3ccc(F)c(C#N)c3)CC2)C1=O 108525027 LARHTLJFZZZFEG-UHFFFAOYSA-N 359.445 2.548 30 40 FFEB COCCOc1c(Cl)cccc1NCC(=O)N[C@@](C)(C#N)C(C)C 58289532 KEGRRJGFMWRECQ-KRWDZBQOSA-N 353.850 2.832 30 40 FFEB CC[C@H](C)/N=C(/N)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 58213960 GNTPYFFVEJLPJY-LBPRGKRZSA-N 358.408 2.745 30 40 FFEB Cc1nc(OCC(=O)NCc2ccccc2)c(C#N)c2c1COC(C)(C)C2 13726617 VXRHOPWZDHGUHD-UHFFFAOYSA-N 365.433 2.808 30 40 FFEB C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(OC)c2)SC1=S 16196170 XBJZZPKYSHLILW-JYRVWZFOSA-N 365.432 2.546 30 40 FFEB C=CCN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2C 8917555 CMDWAHIVDZADTG-QFIPXVFZSA-N 372.380 2.655 30 40 FFEB N#Cc1c(NC(=O)CN2C(=O)C(=O)c3ccccc32)sc2c1CCCC2 409368167 OCUZQMJEYYZHIU-UHFFFAOYSA-N 365.414 2.667 30 40 FFEB CCOC(=O)N1CCN(c2oc(-c3ccccc3OC)nc2C#N)CC1 585152209 BBXFUAVFTHEUQM-UHFFFAOYSA-N 356.382 2.500 30 40 FFEB CSc1ccc(/C=N/NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 5785843 MVOSGGRWLLKBOB-XNTDXEJSSA-N 351.409 2.629 30 40 FFEB C=CCN(Cc1nc(C2CC2)nn1C)S(=O)(=O)c1cccc(Cl)c1 564571490 SQZAFZKSLLZPSO-UHFFFAOYSA-N 366.874 2.723 30 40 FFEB COc1ccc2o/c(=N\c3ccc(C#N)cc3)c(C(=O)NC(C)=O)cc2c1 4743989 IJYVXRVAILAEHI-ATJXCDBQSA-N 361.357 2.822 30 40 FFEB Cc1nc2ccccc2nc1N1CC[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]21 2086889691 NTAZUSAJIVGZAI-VQIMIIECSA-N 356.433 2.920 30 40 FFEB CC/N=C1\S/C(=C\[C@H]2C(=O)N(c3ccccc3)N=C2C)C(=O)N1CC 59104438 MFVOQCOOQDBMNY-YYUOPBQHSA-N 356.451 2.880 30 40 FFEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccccn4)[C@H]3[C@H]3O[C@]132 4000447 HBHDWNFMXMZZLP-JGDKEGHWSA-N 356.466 2.697 30 40 FFEB biogenic CC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)ccc1OCC#N 4180905 PEJRJQUKGKLAFJ-CQSZACIVSA-N 364.199 2.568 30 40 FFEB C=CCn1c(C)nnc1SCc1nc2sc3c(c2c(=O)[nH]1)CCC3 6653521 RDDMIAACGYDFQS-UHFFFAOYSA-N 359.480 2.852 30 40 FFEB N#Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H]2C[C@@H]2c2cccc(C#N)c2)cc1 83146659 UODQWJCFTMNEFS-IAGOWNOFSA-N 351.387 2.879 30 40 FFEB N#Cc1cccc(C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c1 96005193 AZZIETDBQNLFHD-SFHVURJKSA-N 369.446 2.605 30 40 FFEB COC[C@@]1(C#N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218093072 LHANWPREMRHUET-QYZOEREBSA-N 357.431 2.791 30 40 FFEB N#Cc1cccc(NC(=O)CSc2nccnc2N2CCSCC2)c1 48987207 ZPJDPXMMMBTYRS-UHFFFAOYSA-N 371.491 2.632 30 40 FFEB Cc1cc(N2CCCC2)ccc1NC(=O)CO/N=C(/N)c1cccs1 55356702 MTKFMAFWQCUASK-UHFFFAOYSA-N 358.467 2.932 30 40 FFEB CCCCC[C@H](/C=N/NC(N)=S)C(O)(C(F)(F)F)C(F)(F)F 5854423 GKGNUCJQSXGTOC-CORZIXJQSA-N 353.332 2.858 30 40 FFEB COc1ccc(CCNC(=O)/C=C/c2ccc(OCC#N)c(OC)c2)cc1 6375559 SGWBTVYJXGRPPU-UXBLZVDNSA-N 366.417 2.978 30 40 FFEB CC(C)(C)c1cn2nc(N3CCN(c4ccc(C#N)nc4)CC3)ccc2n1 1888891064 QAYZSDKIFLWGNY-UHFFFAOYSA-N 361.453 2.620 30 40 FFEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(N)nc(=O)c1[C@@H]2c1ccc(F)cc1 9013193 AWLNSRPPNCYRKX-CYBMUJFWSA-N 354.385 2.692 30 40 FFEB COc1ccc2c(c1)OC[C@H](/C(O)=N/S(=O)(=O)C1CCCCC1)C2 50206909 YBWMXBRKNXMHIQ-CYBMUJFWSA-N 353.440 2.865 30 40 FFEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cccnc1SC(F)F 11270920 MXKUBMILCXZDGV-HWPZZCPQSA-N 371.409 2.996 30 40 FFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2[nH]c3ccccc3c2C1 11977410 ORHXZEVGGPLJEG-UHFFFAOYSA-N 374.444 2.862 30 40 FFEB COC(=O)c1ccc2c(c1)CCN2C(=O)[C@@H](C)Oc1ccc(C#N)cc1 25182031 GHEDGDJKUBYZLF-CYBMUJFWSA-N 350.374 2.701 30 40 FFEB N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)[C@H]1C[C@H]2CC[C@H]1C2 107348273 BPQNGLKSXJMDNH-ZQIUZPCESA-N 364.405 2.662 30 40 FFEB C[C@H](CCN1CCN(c2ccccc2)CC1)NC(=O)N1CCC(C#N)CC1 58247015 OORQSIVRGZGRNO-GOSISDBHSA-N 369.513 2.532 30 40 FFEB CCOc1ccc(NC(=O)[C@H](C)Sc2nc(N)cc(N)c2C#N)cc1 12600797 QBIJTOFJWCBZHZ-JTQLQIEISA-N 357.439 2.636 30 40 FFEB COc1ccc(N2CSc3nc(-c4ccco4)c(C#N)c(=O)n3C2)cc1 13689669 IDSXLJFNXXAUQG-UHFFFAOYSA-N 366.402 2.911 30 40 FFEB CCOc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 408537679 WQAWWDNUGGKYTQ-INIZCTEOSA-N 365.389 2.995 30 40 FFEB O=C1N/C(=N/N=C/c2cccc([N+](=O)[O-])c2)S[C@H]1Cc1ccccc1 18209211 VGHUZGIDDKPWLU-LZNAANCOSA-N 354.391 2.759 30 40 FFEB C=CCNC(=O)c1ccc(N(CC=C)S(=O)(=O)c2ccccc2)cc1 224367981 JZFJLMJCBJRDEZ-UHFFFAOYSA-N 356.447 2.984 30 40 FFEB Cc1cncc(N=C(O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)c1 330294535 IPROBJROQBCSFM-OAHLLOKOSA-N 353.378 2.802 30 40 FFEB N#Cc1ccc(OCCNC(=O)N2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 595526119 JULFNHSAAWKFJN-HKUYNNGSSA-N 357.454 2.928 30 40 FFEB C/C(=N\OC(=O)NS(=O)(=O)c1ccc(C)cc1)C(=O)c1ccccc1 16310203 HFGNIYQKKKOQPT-QGOAFFKASA-N 360.391 2.669 30 40 FFEB N#Cc1cnc(N2C[C@H]3CN(c4cc(C5CC5)ncn4)C[C@@H]3C2)c(Cl)c1 1888849571 YDEAPRRPSGMAOZ-HUUCEWRRSA-N 366.856 2.847 30 40 FFEB COc1c2c(cc3c1[C@@H](C/C(=N/O)c1ccccn1)N(C)CC3)OCO2 20111754 YBIIDIGFVMXLJU-XWCAUFEOSA-N 355.394 2.617 30 40 FFEB biogenic N#Cc1cccc(S(=O)(=O)Nc2cccc(Oc3ncccn3)c2)c1 32091303 FLGBJDCOIODCAA-UHFFFAOYSA-N 352.375 2.941 30 40 FFEB O=[N+]([O-])c1cccc(N/N=C\CCC/C=N/Nc2cccc([N+](=O)[O-])n2)n1 8617758 SJVUOPDWIYRTPG-VRNBXGKJSA-N 372.345 2.959 30 40 FFEB COc1ccc(/C=N/n2c(S)nnc2C(F)F)cc1Cn1cccn1 2792727 DEOIDDYNZYRQGU-UFWORHAWSA-N 364.381 2.640 30 40 FFEB COCc1cc(C)n(CC(=O)Nc2ccccc2C(C)C)c(=O)c1C#N 810867 MXKFGFHEFFKZJX-UHFFFAOYSA-N 353.422 2.937 30 40 FFEB N#Cc1cc(-n2nnc3ccccc32)c(-n2nnc3ccccc32)cc1C#N 4603087 VBBDFMNBYJYCJY-UHFFFAOYSA-N 362.356 2.898 30 40 FFEB C/C(=N\NC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccc[nH]1 7014927 PVCPDSGHBGIBBO-CIAFOILYSA-N 368.466 2.523 30 40 FFEB CCNC(=S)N/N=C/c1cc(OCC)c(OC)cc1Br 33660461 OTNHTKQHHKIQOA-LZYBPNLTSA-N 360.277 2.674 30 40 FFEB C=CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 33664486 RWMWHMGDKGQIDM-UHFFFAOYSA-N 374.462 2.785 30 40 FFEB COc1ccccc1OCC#CCNS(=O)(=O)/C=C/c1ccccc1 90730261 HVZRKHWRIANJSW-DTQAZKPQSA-N 357.431 2.668 30 40 FFEB N#Cc1cc(N2C[C@H]3CN(c4ncccc4C(F)(F)F)C[C@H]3C2)ccn1 1888868543 AORLHCSTSIUJLH-BETUJISGSA-N 359.355 2.940 30 40 FFEB Cc1sc(NC(=O)CS(=O)(=O)c2ccc(F)cc2)c(C#N)c1C 4570329 LMUAPTSXQMNQJE-UHFFFAOYSA-N 352.412 2.788 30 40 FFEB N#Cc1c(NCN2C(=O)c3ccccc3S2(=O)=O)sc2c1CCCC2 27025587 IUQHBXCGJXQMBA-UHFFFAOYSA-N 373.459 2.713 30 40 FFEB C#CCN1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 42713952 CLSFQZMANGTOAY-DNVCBOLYSA-N 353.466 2.700 30 40 FFEB Fc1ccccc1/C=N/Nc1nc(N2CCCC2)nc(N2CCCC2)n1 4478001 HRKUIMKGFKMZQM-DEDYPNTBSA-N 355.421 2.657 30 40 FFEB Cc1c(C#N)c(NC(=O)CSc2nnnn2C)n(C2CCCCC2)c1C 8319546 UHQWSYUYSOTDBP-UHFFFAOYSA-N 373.486 2.736 30 40 FFEB COc1ccc(F)cc1CN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O 6583329 RIXHKYDYHLFAQY-LJQANCHMSA-N 353.353 2.673 30 40 FFEB CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc(Cl)c1O 409031386 AHIGSRCWLSHVGT-NIAHSISMSA-N 360.797 2.585 30 40 FFEB Cc1ccc(S(=O)(=O)OC[C@@H]2CC[C@H](C(F)(F)F)N(C)C2)cc1 382703177 QEYOQJKNXXOZJP-TZMCWYRMSA-N 351.390 2.973 30 40 FFEB C=C1C(=O)[C@@]23[C@H](O)C[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]2CC[C@H]1[C@H]3OC(C)=O 257477101 LSUXOKVMORWDLT-IMMCBDGMSA-N 374.477 2.846 30 40 FFEB biogenic CCOC(=O)/C(=N/Nc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 13479369 ORBVLRMBLNQCHP-HMMYKYKNSA-N 359.313 2.948 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 40080052 FZLKNSGNEAXDFX-UHFFFAOYSA-N 365.349 2.639 30 40 FFEB Cc1ccc(S(=O)(=O)NNC2=CC(=O)C[C@H](c3ccccc3)C2)cc1 849589 FIZKTZWMHQASSG-MRXNPFEDSA-N 356.447 2.809 30 40 FFEB COc1cc(C#N)ccc1OCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 7089714 ITBGEZHTGBCIMC-ZDUSSCGKSA-N 365.389 2.710 30 40 FFEB C[C@@H](OC(=O)c1cccc(S(=O)(=O)NCCC#N)c1)c1ccccc1 12791693 HJVNEGLQPTUIDG-CQSZACIVSA-N 358.419 2.797 30 40 FFEB CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCOC)c1 4541132 CAVQSGUZWULMDU-KRWDZBQOSA-N 371.389 2.903 30 40 FFEB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1[N+](=O)[O-] 5740021 KAOIEKHNYOWTHF-NSHDSACASA-N 369.333 2.659 30 40 FFEB CCOC(=O)Cn1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c2ccccc21 409092466 YUGFDRKYZVTRFT-KEBDBYFISA-N 367.365 2.954 30 40 FFEB Cc1cnc([C@@H](C)C/N=C(/O)N2CCN(C3CCOCC3)C[C@H]2C)s1 330220817 LCKQDDGLZQBNPF-UONOGXRCSA-N 366.531 2.654 30 40 FFEB COc1cc(/C=N/N2CCOCC2)ccc1OC(=O)c1ccccc1F 3576222 YFHXUYNSZIUAJA-FYJGNVAPSA-N 358.369 2.720 30 40 FFEB N#Cc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1Cl 21822241 HERYAULRVVMMNK-UHFFFAOYSA-N 368.868 2.968 30 40 FFEB Cc1cccc(OCCOCCOc2cccc(/C=N/NC(N)=S)c2)c1 20146038 IOMJRELCZONAEH-KGENOOAVSA-N 373.478 2.637 30 40 FFEB N#C[C@H](C(=O)c1ccc(CNC(N)=O)cc1)c1ccc(C(F)(F)F)cn1 41555820 BDQLYJCRLDDXQN-ZDUSSCGKSA-N 362.311 2.759 30 40 FFEB Cc1cc([C@@H](C#N)C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)nc(C)n1 41560333 SKMOTZHWHOBARO-IEBWSBKVSA-N 374.444 2.812 30 40 FFEB N#Cc1cc(C#N)c(SCC(=O)N2CCC[C@@H]2c2cccs2)nc1N 60657207 HWVASXVZTCMRQG-CYBMUJFWSA-N 369.475 2.924 30 40 FFEB COC1(OC)[C@H](/C=C/c2ccc(Cl)cc2)C(C#N)(C#N)C1(OC)OC 721499 WTXBTYXCVPLYNX-JOZWUWCOSA-N 362.813 2.995 30 40 FFEB COc1ccc(CN2C(=O)C[C@H](C(N)=O)S/C2=N\c2ccccc2)cc1 12420728 UUZDVRXJIDGFSP-BSBNDGSWSA-N 369.446 2.702 30 40 FFEB C(=N/n1cnnc1)\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 3174054 RKGHNWFYFJCVEU-FOKLQQMPSA-N 372.388 2.784 30 40 FFEB Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)[nH]c(=O)n3C)cc1 44973940 HSWUJAXETNRDHS-OAHLLOKOSA-N 365.433 2.583 30 40 FFEB Cc1ccc2nc3c(cc(C#N)c(=O)n3-c3ccccc3Cl)c(=O)n2c1 6809444 HJTCIWSTKQJVGX-UHFFFAOYSA-N 362.776 2.832 30 40 FFEB CC1(C)CC(=O)C2=C(C1)OC(=O)[C@@]2(NCc1cccnc1)C(F)(F)F 96230933 DKZNVFFGNVYXFO-MRXNPFEDSA-N 354.328 2.672 30 40 FFEB COC[C@]1(C#N)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 242574903 NIVOSQLITCKFAG-IPMKNSEASA-N 371.414 2.511 30 40 FFEB N#Cc1cccc(C(=O)N2CC3(C[C@@H](Oc4ccccn4)CS3)C2)c1 575404686 UIZTWHPAQZGIJR-MRXNPFEDSA-N 351.431 2.732 30 40 FFEB CN(C)c1nc(NCc2ccccc2)nc(N/N=C/c2ccccc2O)n1 5342791 CHWZZBPEKZHITF-FYJGNVAPSA-N 363.425 2.701 30 40 FFEB C=CCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)C(C(=O)OC)=C1C 6964027 ZEKDFYWNSXNFTH-PTNGSMBKSA-N 357.406 2.953 30 40 FFEB N#Cc1cccc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 107147295 SRCAXDZYERMXLK-QUCCMNQESA-N 364.449 2.563 30 40 FFEB N#Cc1ccccc1N1CCCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1 58425095 MJIYBBNWNBECRZ-UHFFFAOYSA-N 361.405 2.894 30 40 FFEB CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1cccc(C#N)c1 12737025 ISPBPKPSLTWGBJ-UHFFFAOYSA-N 363.826 2.616 30 40 FFEB CCn1c(SCc2nc3ccccc3c(=O)n2CC#N)nnc1C1CC1 7618327 YCVDCSSIFNGGBD-UHFFFAOYSA-N 366.450 2.701 30 40 FFEB C[C@H](NC(=O)c1ccc(NC(=O)CC#N)cc1)c1ccc(-n2cncn2)cc1 9613924 SDQLAPJUSVLBBL-AWEZNQCLSA-N 374.404 2.610 30 40 FFEB Cc1nc(C(C)(C)C)nc(N2CCN(c3ncccc3C#N)CC2)c1C 1888860416 BGVUNNRPEFRFEX-UHFFFAOYSA-N 350.470 2.984 30 40 FFEB O=C(O)Cn1/c(=N\N=C\c2ccc([N+](=O)[O-])cc2)sc2ccccc21 8652621 ZOOHPIGIWTWRLC-APBNWAIRSA-N 356.363 2.630 30 40 FFEB C[C@@H]1C[C@H]2[C@@H]3CC[C@]4(OCC4=O)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]2(C)C=CC(=O)C=C12 118936674 UAELTFMDOIYQJQ-AMVBAISBSA-N 374.452 2.941 30 40 FFEB Cc1ccc(C(=O)NCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 12752606 NMGLHAZBFYCTMU-UHFFFAOYSA-N 374.362 2.912 30 40 FFEB C[C@H]1CN(C)[C@H](C)C[C@@]1(O)C#CCOc1ccc(Br)cc1 13540649 BZEJSCRBMDUORW-VBQJREDUSA-N 352.272 2.923 30 40 FFEB C/N=C1\S[C@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)C(=O)N1C 7883699 NYDGSEQICGSDIS-UWENYHRYSA-N 355.847 2.545 30 40 FFEB O=S1(=O)CC/C(=N/N=c2\[nH]c3ccccc3s2)c2cc(F)ccc21 33040432 XVZWSWDSKQLPIP-UNOMPAQXSA-N 361.423 2.851 30 40 FFEB N#Cc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)c1 45056640 VOTKSMZYTCUQGA-UHFFFAOYSA-N 369.446 2.570 30 40 FFEB C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 5408907 MQKFSVOZEQUNRN-BZNIZROVSA-N 372.808 2.694 30 40 FFEB Cc1cc(NC(=O)C2CCN(CCOc3ccc(C#N)cc3)CC2)no1 24243964 KNSLUOKNTMGFOB-UHFFFAOYSA-N 354.410 2.584 30 40 FFEB Cc1cccc(C(=O)N2CCCC2)c1NCC(=O)NC1(C#N)CCCC1 55852094 JKJDIVNPSNEVRS-UHFFFAOYSA-N 354.454 2.596 30 40 FFEB Cc1nc(-c2ccccn2)[nH]c(=O)c1CCC(=O)N(C)c1cccc(C#N)c1 58193666 ZRAHXZYCQCPWDS-UHFFFAOYSA-N 373.416 2.608 30 40 FFEB C[C@]1(c2cccc(C#N)c2)NC(=O)N(CCOc2ccccc2F)C1=O 58226858 GDUMBGLHAOXNGJ-LJQANCHMSA-N 353.353 2.543 30 40 FFEB Cc1c(OS(C)(=O)=O)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 5443559 LFGUADQQMWWTPJ-PXNMLYILSA-N 374.370 2.678 30 40 FFEB Cc1ccc(-n2nnnc2S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c(C)c1 6509113 SVYAIRAGAJJYMG-KDOFPFPSSA-N 372.498 2.814 30 40 FFEB C=CCOc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 217036619 AQCIRGQHHNJXFR-UHFFFAOYSA-N 365.477 2.933 30 40 FFEB CC(=O)N[C@@H](/C(O)=N/S(=O)(=O)c1ccc(C)c(C)c1)C1CCCC1 48473990 KMZVTRAMFVPFQX-MRXNPFEDSA-N 352.456 2.644 30 40 FFEB O=S(=O)(O)c1cccc(/C(=N\Nc2ccccn2)c2ccccn2)c1 4520997 RFBIFVJURBNJJY-HEHNFIMWSA-N 354.391 2.588 30 40 FFEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)c(OC)c1 804249 CJRDNIFOBWHYCU-QGZVFWFLSA-N 354.410 2.953 30 40 FFEB N#Cc1ccc(S(=O)(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 54255784 MQZHZEOYICCAMN-UHFFFAOYSA-N 357.391 2.820 30 40 FFEB COc1ccc(NC(=O)CON=C2CCC3(CC2)OCCO3)cc1Cl 47538844 NRXHANHDRKQEBA-UHFFFAOYSA-N 368.817 2.977 30 40 FFEB N#CCC(=O)Nc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1 3359831 FAWBNEHBNGGESO-UHFFFAOYSA-N 369.421 2.702 30 40 FFEB COc1ccc(S(=O)(=O)N2CCOCC2)cc1/N=C/c1cccs1 5518122 IEKGPCNLCZSZDE-SFQUDFHCSA-N 366.464 2.528 30 40 FFEB Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 70462103 AHKUVYORQRCJBY-UHFFFAOYSA-N 350.378 2.737 30 40 FFEB Cc1cc(CN2C[C@@H](F)C[C@H]2CN=c2cc(C#N)[nH]c3ccccc23)on1 588026100 IYNHOACSPYHCCH-HOCLYGCPSA-N 365.412 2.849 30 40 FFEB Cc1ccc(S(=O)(=O)N/N=C/c2nc(O)c(C)n2-c2ccccc2)cc1 1057534 ZXZCOFGPPSOCPT-XDHOZWIPSA-N 370.434 2.507 30 40 FFEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccncc1 5931269 HPZJLZOVPFTGIA-CYBMUJFWSA-N 354.435 2.841 30 40 FFEB COc1ccccc1NC(=S)N/N=C/c1ccc(N2CCOCC2)cc1 3266126 HXMOUTIJPIIGFT-XSFVSMFZSA-N 370.478 2.852 30 40 FFEB N#CC(=O)c1ccccc1N1CC[C@@H](NC(=O)c2ccc(F)c(F)c2)C1 101198469 KUDFKMNUQJXDKN-CYBMUJFWSA-N 355.344 2.680 30 40 FFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1nnnn1-c1ccccc1 32741895 PBSVPQAULWOJSW-UHFFFAOYSA-N 374.360 2.583 30 40 FFEB N#Cc1cccc(NC(=O)CSc2nc(-c3ccccc3O)n[nH]2)c1 32860248 DUEREZLMORGSKV-UHFFFAOYSA-N 351.391 2.780 30 40 FFEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(-n2cnnn2)cc1 32908458 QFEDILKHQFLBBZ-UHFFFAOYSA-N 366.384 2.709 30 40 FFEB C=CCN(CC=C)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 57708966 QWCUFBNVZXHWJV-UHFFFAOYSA-N 352.221 2.904 30 40 FFEB CCOc1ccc(/C(O)=N/S(=O)(=O)c2cccc(C#N)c2)cc1OC 48598532 XNTBHQDMJDQXKO-UHFFFAOYSA-N 360.391 2.659 30 40 FFEB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)c1cncn1-c1ccccc1 5210399 YHAMHRPIJSPBEC-YVLHZVERSA-N 359.385 2.971 30 40 FFEB Cc1cc(C)n2nc(S[C@@H](C)C(=O)N(C)C3(C#N)CCCCC3)nc2n1 14141387 VLRPWRCXHMPZKP-AWEZNQCLSA-N 372.498 2.907 30 40 FFEB Cc1nn(-c2ccccc2)c(C)c1/C=N/Nc1ccc(S(N)(=O)=O)cc1 6652333 PVJHBTDTIRPEGT-UDWIEESQSA-N 369.450 2.583 30 40 FFEB COc1cc([C@H](O)[C@H](C#N)c2ccc(C#N)cc2)c([N+](=O)[O-])cc1OC 16194855 IJUGQKOQPIPQKL-KDOFPFPSSA-N 353.334 2.824 30 40 FFEB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 118929662 AIFBIDNFLLKTLI-OPYZCJMXSA-N 364.457 2.757 30 40 FFEB C=CCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)C(=O)NC1=S 223289900 QHLAVRAFKGVZDZ-WEVVVXLNSA-N 357.218 2.512 30 40 FFEB CC1(C)OC[C@H]2C[C@]21NC(=O)N=c1ccn(-c2ccc(Cl)cc2C#N)[nH]1 529053588 JVOICCFCAYRLKQ-XIKOKIGWSA-N 371.828 2.508 30 40 FFEB CC(C)(c1ccccc1)c1csc(NC(=O)Cn2cnc(C#N)n2)n1 1171431250 XCGAVPFUWHGHGC-UHFFFAOYSA-N 352.423 2.571 30 40 FFEB Cc1c(OCC(N)=O)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 9422392 CTHUPVHEIBDBCT-GIJQJNRQSA-N 362.385 2.967 30 40 FFEB O=C1C=C[C@H]2[C@@H](S(=O)(=O)c3ccccc3)C[C@H]1N2Cc1ccccc1 100194898 WNGVMMCXHOLEQG-NSHGMRRFSA-N 353.443 2.611 30 40 FFEB COc1ccccc1-c1n[nH]c(/N=C(\O)CN(C)C(=O)c2cccs2)n1 52779047 WHJNDRFTJVDPEJ-UHFFFAOYSA-N 371.422 2.902 30 40 FFEB CCn1nnc2cc(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c3ccccc3)ccc21 103503743 WVWLDSPQOIJBGZ-BBRMVZONSA-N 361.405 2.651 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C\c1c(O)ccc2ccccc12 100199506 QQRCACCILUTOLS-MWOXKHIESA-N 358.397 2.932 30 40 FFEB COc1ccc(/C(O)=N/S(=O)(=O)Cc2ccc(F)cc2)cc1OC 45100158 QSGGJNYUCYDCFO-UHFFFAOYSA-N 353.371 2.678 30 40 FFEB C[C@@H](C(=O)Nc1ccccc1C#N)N(C)Cc1ccc2c(c1)OCCO2 8225963 VKLBNWIYVWJFNU-AWEZNQCLSA-N 351.406 2.788 30 40 FFEB C=CCN(C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1ccccc1 8502419 PZWGMZNDEIGJOM-OAQYLSRUSA-N 363.417 2.673 30 40 FFEB CC(=O)[C@]1(O)CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 118924065 UWMKPWKZGHRUQC-SQQNWLPGSA-N 358.478 2.831 30 40 FFEB COc1ccccc1OCC#CCNS(=O)(=O)c1ccc(C)c(C)c1 90610429 RVNPEHXJJHHRJC-UHFFFAOYSA-N 359.447 2.673 30 40 FFEB C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccn1 5408906 LLSZTKOMAXZZBA-BZNIZROVSA-N 372.808 2.694 30 40 FFEB CC(C)Cn1c(SCC#N)nc2cc(C(=O)NC(C)C)ccc2c1=O 12415046 BKVGQVWOUHZPBF-UHFFFAOYSA-N 358.467 2.806 30 40 FFEB CCNc1oc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc1C#N 12421062 KARQAMQCLPUHLX-UHFFFAOYSA-N 360.439 2.820 30 40 FFEB C[C@H]1Sc2ccc(C(=O)[C@H](C#N)C(=O)NC3CCCCC3)cc2NC1=O 103503910 IJCRTPFSXRGPBV-RISCZKNCSA-N 371.462 2.891 30 40 FFEB Cc1ccc(C[C@@H](C#N)Sc2nnc(SCC(N)=O)s2)cc1 24842552 MFZBGXQEYGSSKT-NSHDSACASA-N 350.494 2.651 30 40 FFEB N#Cc1cccc(N[C@H]2CO[C@]3(CCN(Cc4ccc(F)cc4)C3)C2)n1 96047672 XEXRAPJTALDNQM-UYAOXDASSA-N 352.413 2.938 30 40 FFEB C[C@@]1(C#N)CCN(c2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)C1 596532161 ZPTZYXSZTFZICA-KRWDZBQOSA-N 354.801 2.502 30 40 FFEB N#Cc1cc(Br)cnc1N1CCN(C(=O)c2ccccc2)CC1 1611709927 ADRYUPUIKVEBMG-UHFFFAOYSA-N 371.238 2.678 30 40 FFEB COc1ccc2nc(SCC(=O)NC[C@H]3CCCO3)c(C#N)cc2c1 15936047 QZYBMLKIESKLJC-OAHLLOKOSA-N 357.435 2.502 30 40 FFEB N#CC1(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cccnc2)C3)CCCC1 1565544513 MOELDMXHIJKAFS-UHFFFAOYSA-N 366.465 2.507 30 40 FFEB C[C@H](C(=O)Nc1ccc(C#N)cc1)N(C)CC(=O)Nc1cccc(F)c1 6639271 BGXIDARRPMCGOF-CYBMUJFWSA-N 354.385 2.595 30 40 FFEB C[C@]1(c2ccc(F)cc2)NC(=O)N(CCOc2cccc(C#N)c2)C1=O 47354398 OKSZFUQPATTYHX-LJQANCHMSA-N 353.353 2.543 30 40 FFEB C=CCOc1ccc(/C=C/C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1 7982903 KIHRLTLAYSDPIH-OJLWIZQOSA-N 356.422 2.862 30 40 FFEB C=CCN1C(=O)N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 409129759 SKAYOZWNUBDACS-XNTDXEJSSA-N 366.333 2.861 30 40 FFEB Cc1ccc(N=C[C@@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c(C)c1 408534438 LZGSWTGZNGEXFX-LJIGWXMPSA-N 353.422 2.889 30 40 FFEB O=C(O)c1ccc2c(c1)CCC/C(=C\c1cn(C[C@@H]3CCOC3)nn1)C2=O 585138424 ONSHNTGYDHGIIL-NCPSJORJSA-N 367.405 2.615 30 40 FFEB O=S(=O)(/N=C(\c1ccccc1)N1CCOCC1)c1ccc(Cl)cc1 13139385 MPHBYYFCSOWKMZ-HTXNQAPBSA-N 364.854 2.808 30 40 FFEB N#Cc1ccc(N2CCN(C(=O)NCc3ccc(Cl)s3)CC2)nc1 50098961 XGMPMGDHYIVRCR-UHFFFAOYSA-N 361.858 2.700 30 40 FFEB COc1ccc(C)cc1/C=C/C(=O)NS(=O)(=O)Cc1ccccc1C#N 42307002 ZFUDXINRAGXELP-CSKARUKUSA-N 370.430 2.535 30 40 FFEB CN(C)C[C@@H](O)COc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1 58202778 IICDQBVKSWXOKZ-QGZVFWFLSA-N 354.410 2.504 30 40 FFEB Cc1ccc(-n2nnnc2/C(=C/N(C)C)C(=O)c2ccccc2F)cc1 4452653 IWUDBOKZWABNTR-FOWTUZBSSA-N 351.385 2.895 30 40 FFEB CN(CC(=O)Nc1sccc1C#N)S(=O)(=O)c1ccc(Cl)cc1 9155475 QTQKOIKIRJRZEE-UHFFFAOYSA-N 369.855 2.532 30 40 FFEB C=CCNc1nc(C(=O)O[C@@H](C)C(=O)NC(=O)Nc2ccccc2)cs1 9156210 FDKNUGJVSBBXJS-NSHDSACASA-N 374.422 2.635 30 40 FFEB C=CCN(Cc1ccc(C(=O)N(C)C)cc1)S(=O)(=O)c1ccccc1 224468061 AWJUIEKYIQLGJQ-UHFFFAOYSA-N 358.463 2.765 30 40 FFEB Cc1ncnc(N(C)[C@H]2CCCN(c3ncc(C#N)cc3Cl)C2)c1F 1888844094 YEZWJZHKWQTESV-ZDUSSCGKSA-N 360.824 2.949 30 40 FFEB C[C@H]1CN(C[C@H]2C(=O)O[C@@]34[C@H]2CC[C@@H](C)[C@@H]3CC[C@@]2(C)O[C@H]24)C[C@@H](C)O1 20412369 RUZUDZSTUUEQRC-HVWOOJGLSA-N 363.498 2.621 30 40 FFEB biogenic N#Cc1cc(Cl)ccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1 2644772 PGUDSWGVZZEHGI-UHFFFAOYSA-N 350.787 2.503 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1cccc(O)c1 102862978 KBJSYPKKZDDGQZ-GHNGSUTGSA-N 367.401 2.769 30 40 FFEB COc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1NC(C)=O 29972252 YOARKIZKPQIBDQ-UHFFFAOYSA-N 359.407 2.520 30 40 FFEB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(C#N)cc1 12908350 DCWYIDJDPXGAQI-HNNXBMFYSA-N 360.421 2.770 30 40 FFEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 5516411 ULZMFLOMHBUJAE-RGHHBTPQSA-N 372.899 2.742 30 40 FFEB Cc1cccc(OCCCNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c1 9317013 SJEFXAYLTJEUCA-UHFFFAOYSA-N 367.449 2.690 30 40 FFEB COC(=O)N(C)CC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 49723746 VFRYNSLAPDRGMR-UHFFFAOYSA-N 354.366 2.691 30 40 FFEB C=CCO[C@@H]1CCN(C(=O)CCc2cncnc2)[C@H]1Cc1ccccc1 585113290 UNBFHKIDRXEGFK-VQTJNVASSA-N 351.450 2.824 30 40 FFEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cccnc1SC(F)F 11270947 MXKUBMILCXZDGV-QFYYESIMSA-N 371.409 2.996 30 40 FFEB COc1ccccc1-c1ccc(N2CC(N(C)c3ccc(C#N)cn3)C2)nn1 1888892718 WPXUXZWQCIPEII-UHFFFAOYSA-N 372.432 2.744 30 40 FFEB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2ccc(C#N)cc2F)C1=O 11538364 DMEKZECWNPVALM-SFHVURJKSA-N 359.307 2.943 30 40 FFEB C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(CCc2ccccc2)CC1 22933675 ZDOUHCGWTAFKOE-GOSISDBHSA-N 362.477 2.746 30 40 FFEB N#Cc1nc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)[nH]c1C#N 58193140 PBKSBQWUFFRKNW-GHMZBOCLSA-N 356.183 2.658 30 40 FFEB COc1cc(/C(O)=N/S(=O)(=O)Cc2ccc(Cl)nc2)ccc1C 58150130 DPJYPIZFPQHLNT-UHFFFAOYSA-N 354.815 2.887 30 40 FFEB Cc1ccc(C(=O)CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)s1 58299551 KLMSOFVBNRMEHE-GOSISDBHSA-N 353.403 2.578 30 40 FFEB CN(/N=C/C=C/c1ccc(N(C)C)cc1)C1=NS(=O)(=O)c2ccccc21 3764614 QVUTWPHISYFRSR-WTOFFKHVSA-N 368.462 2.833 30 40 FFEB C#CCCN1CCN(C(=O)c2cccc(OCc3c(C)noc3C)c2)CC1 48331991 SEEXXGOHVQZKMG-UHFFFAOYSA-N 367.449 2.652 30 40 FFEB N#C[C@]1(C(=O)O)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 242750338 ZMDWMBXXSXOTSK-INMHGKMJSA-N 361.806 2.874 30 40 FFEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2cc(Cl)c3c(c2)OCCCO3)C(=O)O1 24084039 QCCQSROABYSHCM-QDLOVBKTSA-N 362.765 2.730 30 40 FFEB CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1)c1ccsc1 30435320 QKUASPGJOHPXKX-KRWDZBQOSA-N 363.508 2.981 30 40 FFEB Cc1nn(C/C(N)=N/OC(=O)C2CCCCC2)c(C)c1Br 17073737 MGUXZBUGZPLGHZ-UHFFFAOYSA-N 357.252 2.658 30 40 FFEB N#CC1(NC(=O)CNc2ccc(I)cc2)CCCC1 6652337 IMOPEXVMAMMHOP-UHFFFAOYSA-N 369.206 2.656 30 40 FFEB Cc1ccc(S(=O)(=O)N2CCN(C3=CC(=O)CC(C)(C)C3)CC2)cc1 7002965 HTDVYIFGKPFXMC-UHFFFAOYSA-N 362.495 2.574 30 40 FFEB N#Cc1ccc(S(=O)(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1 23440877 IBVZKTBCONIAKS-UHFFFAOYSA-N 370.352 2.978 30 40 FFEB N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@@H](C(N)=O)N2C=Cc3ccccc3[C@H]21 33360338 HVCZTRFWMLVDJU-QYZOEREBSA-N 358.376 2.838 30 40 FFEB Cc1ccc(N2C(=O)[C@@H](/C=N\c3ccc(F)cc3)C(=O)NC2=S)cc1 408756374 UTAHTRDLQACJPB-ANQVYJHKSA-N 355.394 2.901 30 40 FFEB Cc1ccc(S(=O)(=O)OC[C@@H]2CC[C@@H](C(F)(F)F)N(C)C2)cc1 382703176 QEYOQJKNXXOZJP-OCCSQVGLSA-N 351.390 2.973 30 40 FFEB CC(=O)N1CCc2c(sc(NC(=O)c3cc(C)n(C(C)C)n3)c2C#N)C1 38507970 JZXFPSWVQAEDIM-UHFFFAOYSA-N 371.466 2.863 30 40 FFEB N#Cc1ccsc1NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1 23477195 TUMQVOIVRWVOFH-QPJJXVBHSA-N 366.490 2.889 30 40 FFEB C#CCCN1CCN(C(=O)CCc2ncc(-c3ccc(C)cc3)o2)CC1 58186161 SSHKZADLWISWBG-UHFFFAOYSA-N 351.450 2.750 30 40 FFEB O=C(O)C[C@H]1S/C(=N\N=C/c2ccccc2)N(c2ccc(O)cc2)C1=O 13659305 ZFXSHIOAVVLRMG-IWNUIWIRSA-N 369.402 2.705 30 40 FFEB CC(C)CNc1oc(-c2ccc(S(=O)(=O)N3CCCC3)o2)nc1C#N 71284288 ZQZCJEHJLVWTCZ-UHFFFAOYSA-N 364.427 2.659 30 40 FFEB COCCN(CCC#N)C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 72255162 JUVDKQHQYNGWDD-UHFFFAOYSA-N 355.394 2.843 30 40 FFEB CCSc1nc2n(n1)[C@H](c1cnn(C)c1)C1=C(CC(C)(C)CC1=O)N2 36621258 QRDGPHLBQWEJOV-CQSZACIVSA-N 358.471 2.782 30 40 FFEB CC(C)(C)OC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 204550398 PSVZFUBRHBJCFJ-UHFFFAOYSA-N 352.215 2.545 30 40 FFEB COc1ccc2nc(SCC(=O)NC[C@@H]3CCCO3)c(C#N)cc2c1 15936046 QZYBMLKIESKLJC-HNNXBMFYSA-N 357.435 2.502 30 40 FFEB N#Cc1cccnc1N1CCN(c2cc(C(F)(F)F)nc(C3CC3)n2)CC1 1888843147 NJWUUNLWNLGQSI-UHFFFAOYSA-N 374.370 2.966 30 40 FFEB CN(C)c1nc(N/N=C/c2ccccc2O)nc(Nc2ccc(F)cc2)n1 4474093 AXZWNDUUVWCUGC-RGVLZGJSSA-N 367.388 2.972 30 40 FFEB C=CCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 2672897 VPFGPICGSKBJHU-LGMDPLHJSA-N 351.362 2.668 30 40 FFEB Cc1nn(C)cc1CN(C)CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 14191891 VGVUYCLGCFAXGX-LBPRGKRZSA-N 371.510 2.857 30 40 FFEB CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1C[C@]12O[C@H]1[C@@H](O)C(CO)=C[C@H]2O 35457261 VBZYLQJSPMDPOO-STDRCYBHSA-N 362.510 2.967 30 40 FFEB biogenic,in-vitro N#Cc1nccnc1O[C@@H]1CCN(C(=O)/C=C/c2ccccc2Cl)C1 225798233 PIODIWAGTPAASI-VBROQKIQSA-N 354.797 2.695 30 40 FFEB N#Cc1ccnc(OCC2CCN(C(=O)c3ccc4nccnc4c3)CC2)c1 1775969490 ADSUKXRWDKOZFC-UHFFFAOYSA-N 373.416 2.828 30 40 FFEB CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 2637876 XQMKXYIKZCJXHB-KRWDZBQOSA-N 374.422 2.612 30 40 FFEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2cccc(O)c2)no1 102558096 NLMDQZQJMLDEQT-IBOXJLQUSA-N 366.329 2.908 30 40 FFEB Cc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1ccc(C#N)cc1 8059936 GUIMHYOXJYUSHO-UHFFFAOYSA-N 366.446 2.839 30 40 FFEB COc1ccc(-c2csc(C3=C(N)N(C(C)C)CC3=O)n2)cc1OC 3225663 REOALZQNOIUFGL-UHFFFAOYSA-N 359.451 2.748 30 40 FFEB Cc1cc(=O)c(C(=O)Nc2sccc2C#N)nn1-c1ccccc1F 12793119 ARUNDSANGVGODQ-UHFFFAOYSA-N 354.366 2.866 30 40 FFEB O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1cccc(F)c1 12979099 NQIKTSUAMJDPMB-UHFFFAOYSA-N 361.398 2.549 30 40 FFEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1O[C@@H](C)C(=O)O 409013124 SVIJQOCVMPPSMG-HPAYWCODSA-N 359.338 2.901 30 40 FFEB C=CCn1c(SCCn2c(C)csc2=O)nc2ccccc2c1=O 8981757 NUOZBPVNPDPKSC-UHFFFAOYSA-N 359.476 2.906 30 40 FFEB N#C[C@H]1COCCN1CC(=O)Nc1cccc(CSc2ccccn2)c1 76093238 WJQDHMVUUHHOKE-KRWDZBQOSA-N 368.462 2.537 30 40 FFEB Cc1cc(C)c(C#N)c(NCc2cccc(S(=O)(=O)NC(C)C)c2)n1 26707967 ADAJLDQAYRJDGE-UHFFFAOYSA-N 358.467 2.869 30 40 FFEB N#CCC[C@H](NC(=O)NCc1ccnc(-n2cncn2)c1)c1ccccc1 1224538334 RWEXTEOLMNOTOZ-KRWDZBQOSA-N 361.409 2.507 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)c1cccc(N2CCCC2=O)c1 15609576 VCTJWXOPJSBADQ-UHFFFAOYSA-N 363.417 2.982 30 40 FFEB O=C(C[C@H]1S/C(=N\CCc2ccccc2)NC1=O)Nc1ccccc1F 2631056 GYBHQUKYVXYMEF-MRXNPFEDSA-N 371.437 2.985 30 40 FFEB CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc3nccnc3c2)cc1 6362133 GASGJRPOQRYYFT-YCRREMRBSA-N 353.403 2.897 30 40 FFEB N#Cc1ccnc(N2CCN(C(=O)c3sccc3-n3cccc3)CC2)c1 40051052 AWVNLTOBZFZMCW-UHFFFAOYSA-N 363.446 2.768 30 40 FFEB O=C(C[C@H]1S/C(=N/c2cccc(C(F)(F)F)c2)NC1=O)NC1CC1 28892877 AXDVKTGTLBWOPL-LLVKDONJSA-N 357.357 2.593 30 40 FFEB CCO/C(O)=N/c1nnc(SCC(=O)NCc2ccc(C)cc2)s1 32891733 INEINAOITYLTFU-UHFFFAOYSA-N 366.468 2.837 30 40 FFEB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)[C@H]1C(=O)C=CC(=O)[C@H]12 105239595 DCGCFQBJRLWZID-IWXIMVSXSA-N 372.031 2.588 30 40 FFEB N#Cc1c(N)nc2c(c(O)nc(=O)n2Cc2ccccc2)c1-c1ccccc1 22607256 XKIUIYZBUFHSMO-UHFFFAOYSA-N 369.384 2.666 30 40 FFEB CCOC(=O)/C(=N/C[C@@H]1CCCO1)NNc1ccc(Br)cc1 3174675 JQIMNVOHHAJJEZ-ZDUSSCGKSA-N 370.247 2.506 30 40 FFEB CC1(C)CC(=O)C2=C(C1)Nc1c(C#N)cnn1[C@@H]2c1ccc(O)c(O)c1 49544160 LCLWZRBVUJLKJZ-QGZVFWFLSA-N 350.378 2.824 30 40 FFEB COCCNC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n12 4269489 NCXPXINXKPPBCR-UHFFFAOYSA-N 354.435 2.522 30 40 FFEB COC(=O)c1ccc(C)c(NC(=O)COc2ccc(C#N)cc2OC)c1 5629675 MXYGXNVIBRGWMV-UHFFFAOYSA-N 354.362 2.679 30 40 FFEB C=CCN1C(=O)NC(=O)/C(=C(/CC)Nc2ccc(N(CC)CC)cc2)C1=O 9111495 GJGHQVXAHIPWOE-WUKNDPDISA-N 370.453 2.873 30 40 FFEB aggregator C[C@@H](Sc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(C#N)cc1 32911010 VGLXHZXMECAVSR-LLVKDONJSA-N 350.403 2.914 30 40 FFEB C=CCCN1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1 585138592 JPWUHCFANLASLE-UHFFFAOYSA-N 369.469 2.987 30 40 FFEB C=CCNC(=O)[C@@H](C)Sc1ncnc2c1cnn2-c1ccc(F)cc1 13296315 AFYLFAXEAFYNDM-LLVKDONJSA-N 357.414 2.737 30 40 FFEB N#Cc1ncccc1N1CCN(c2ncnc(-c3ccccc3)c2F)CC1 1888890714 LWSCAKDMXXPNCW-UHFFFAOYSA-N 360.396 2.876 30 40 FFEB Oc1cccc(/C=N\CCOCCOCC/N=C\c2cccc(O)c2)c1 100461301 GGDUEWYBEYKDGH-BMJUYKDLSA-N 356.422 2.669 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@H]1c1ccccc1 102863636 ORYOZNMZNWSUKM-SELCWUDQSA-N 367.401 2.763 30 40 FFEB C[C@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)N(C)CCC#N)o1 22471430 DLGNDUBXQCWNLL-NSHDSACASA-N 364.402 2.813 30 40 FFEB N#Cc1ccccc1OCC(=O)N1N=C2CCCC[C@H]2[C@]1(O)C(F)(F)F 408562765 BHHDULGEISYOSW-WBMJQRKESA-N 367.327 2.576 30 40 FFEB Cc1nc(SCC(=O)N2CC(=O)Nc3ccccc32)c(C#N)c(C)c1C 7058686 JDIIDVUCEMAVPW-UHFFFAOYSA-N 366.446 2.956 30 40 FFEB C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 408800021 MVXFRXDHRODIIT-QGOAFFKASA-N 360.369 2.673 30 40 FFEB C=CCN1C(=O)/C(=C/c2cccn2-c2ccc(C)cc2C)C(=O)NC1=S 408962808 VKJHNRPTMGQXPQ-FOWTUZBSSA-N 365.458 2.907 30 40 FFEB C#CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)O)C1=O 409130008 LPQZHQVNCKHKEI-MHWRWJLKSA-N 367.382 2.973 30 40 FFEB CCc1ccc(S(=O)(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1C(=O)O 618631259 OSYGZBQNHLEMDH-GOSISDBHSA-N 370.430 2.785 30 40 FFEB Cc1nn(C)c2sc(C(=O)OCC(=O)Nc3sccc3C#N)cc12 11969501 LETINNGNRPUEAC-UHFFFAOYSA-N 360.420 2.672 30 40 FFEB Cc1nn(C(=O)OC(C)(C)C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12 205364473 SJPILHQNODQPAB-UHFFFAOYSA-N 359.235 2.822 30 40 FFEB N#Cc1ccc(N2C[C@@H]3[C@H](CCN3C(=O)Cc3ccc(F)cc3F)C2)nc1 1889139462 CCQGVNAXVGRKIK-CRAIPNDOSA-N 368.387 2.511 30 40 FFEB COC1(OC)N=C(N)[C@@]2(C#N)[C@H](c3cccc(Oc4ccccc4)c3)[C@@]12C#N 19858585 XVNXFLCFBRUWDE-DFQSSKMNSA-N 374.400 2.913 30 40 FFEB N#Cc1ccc(Cn2c(=O)n(Cc3ccccc3)c(=O)c3cccnc32)cc1 5055068 XVUOSQYHVGKATB-UHFFFAOYSA-N 368.396 2.526 30 40 FFEB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc(C#N)c1 32800150 ZPYBYKQOPBBVLJ-UHFFFAOYSA-N 351.406 2.790 30 40 FFEB Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1-n1cncn1 25005596 TZOQSRTVQICHPJ-UHFFFAOYSA-N 363.425 2.566 30 40 FFEB N#Cc1ccc(CN2CCN(C(=O)CCc3ccc(F)cc3)CC2=O)cc1 72297327 QFRMWIDBEZOWFC-UHFFFAOYSA-N 365.408 2.501 30 40 FFEB COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccc(C#N)cc2)o1 1347330 UTBDXPAGVJIFET-INIZCTEOSA-N 353.403 2.784 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1cccc(OC)c1 102805560 KSSLRLCLWUVXLL-GHNGSUTGSA-N 367.401 2.763 30 40 FFEB C=CCNC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC=C 33271873 RVRRTFYUKXJGKW-UHFFFAOYSA-N 354.431 2.964 30 40 FFEB Oc1ccc(Br)cc1/C=N/N1CCN(c2ccccn2)CC1 12561003 AEYANVWFSYEDQT-XDHOZWIPSA-N 361.243 2.706 30 40 FFEB COc1ccc(/C=N/N=C2/NC(=O)[C@H](c3ccccc3)S2)c(OC)c1 13536198 GKFVHMZMICJZDI-ZVCOJXFSSA-N 355.419 2.998 30 40 FFEB COc1ccc(/C=C/C(=O)c2ccc(NS(C)(=O)=O)cc2)c(OC)c1 64307894 BXGKYNFZJXHZLH-YRNVUSSQSA-N 361.419 2.971 30 40 FFEB COc1ccc(N/C=C2\C(=O)C=C(C)OC2=O)cc1NC(=O)C1CCC1 1547201065 TZZSXOUYTYNRQS-GXDHUFHOSA-N 356.378 2.759 30 40 FFEB CCc1ccccc1N=C[C@@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O 408537251 UTZRNQHYZLDHFX-MKVSYHDVSA-N 353.422 2.835 30 40 FFEB C=C(C)CN(CC)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 39975599 YNMUCXSCPKFXPC-UHFFFAOYSA-N 350.484 2.899 30 40 FFEB C[C@H](NCc1cc(O)n2ncc(C#N)c2n1)c1nc2ccccc2s1 1642620846 LZVFHRZLWUMJRP-JTQLQIEISA-N 350.407 2.767 30 40 FFEB C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 594335413 NLJJXUBYZBNUIU-BEFAXECRSA-N 361.445 2.938 30 40 FFEB N#Cc1ccc(N2C[C@H]3CN(C(=O)Cn4ccc5ccccc54)C[C@H]3C2)nc1 1888914308 RXAIZYCLCIWEJY-KDURUIRLSA-N 371.444 2.503 30 40 FFEB COc1cc(/C=N/Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OC(C)=O 7950401 XQTWUCZBLFHXDU-VCHYOVAHSA-N 359.338 2.983 30 40 FFEB CC(=O)N1CCC(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)CC1 102147017 MYKLMXSAAHFOBT-INIZCTEOSA-N 351.406 2.626 30 40 FFEB C#CCN(C(=O)c1cc(S(=O)(=O)NCC)ccc1C)C1CCCCC1 60167149 UBKMFOHNORSJDU-UHFFFAOYSA-N 362.495 2.701 30 40 FFEB Cc1cc(NC(=O)CNc2ccc(OCC(F)(F)F)c(C#N)c2)on1 55849706 LTLKZQZHGPBJHI-UHFFFAOYSA-N 354.288 2.846 30 40 FFEB N#Cc1cccc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 107147291 SRCAXDZYERMXLK-ICSRJNTNSA-N 364.449 2.563 30 40 FFEB CN(Cc1cccc(C#N)c1)Cc1nc(N)nc(Nc2ccc(F)cc2)n1 26328438 WRFQKFHLKCAYCN-UHFFFAOYSA-N 363.400 2.840 30 40 FFEB COc1ccccc1CN1CCC(NCc2cc(C#N)n(C)c2C)CC1 58023031 JVYCEOZSJRFCLK-UHFFFAOYSA-N 352.482 2.968 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccco1 13123930 WKNLNKFAHGYOLG-MRXNPFEDSA-N 357.362 2.513 30 40 FFEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCCN(C)C)o1 4312054 PXRNKTNOZLYXEO-GHNGSUTGSA-N 368.433 2.961 30 40 FFEB CCc1cc(N2CCC(NC(N)=O)CC2)n2c(nc3ccccc32)c1C#N 72312249 GHZJEXMXWJSSRO-UHFFFAOYSA-N 362.437 2.559 30 40 FFEB CCCC(=O)N1CCC[C@@H](C(=O)Nc2nc3cc(C#N)ccc3n2CC)C1 95450709 JERQUOMPUZABKY-OAHLLOKOSA-N 367.453 2.905 30 40 FFEB COCCc1noc(CC2CCN(c3nc(C#N)c(Cl)s3)CC2)n1 528120601 SMQMKQUZPHASKA-UHFFFAOYSA-N 367.862 2.699 30 40 FFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)[C@]2(C#N)C(=O)O)cc1 252515002 FSORBNMCXYQMGS-JZXOWHBKSA-N 359.378 2.668 30 40 FFEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(Br)cc1 253566477 IZRILHKBMOEXNE-NIENAANYSA-N 359.223 2.980 30 40 FFEB CN(C)[C@H]1CCC[C@@H]1NC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1776007651 RFNWNNGPDRKXRY-HOTGVXAUSA-N 365.327 2.737 30 40 FFEB N#Cc1sccc1S(=O)(=O)N1CCOC[C@H]1c1cccc(F)c1 585091904 COYZLIJSMXHQFE-ZDUSSCGKSA-N 352.412 2.521 30 40 FFEB COC(=O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 5445572 JLHJSHZUCOTQDD-KRWDZBQOSA-N 369.348 2.577 30 40 FFEB N#CCc1ccc(NC(=O)COC(=O)c2cccnc2N2CCCC2)cc1 16290069 GDBLECIPSYEDLE-UHFFFAOYSA-N 364.405 2.543 30 40 FFEB O=C1/C(=C\c2ccc(C(=O)O)cc2)CNC/C1=C\c1ccc(C(=O)O)cc1 1613990 OFXHXWJTICAGGD-BUOZRGFLSA-N 363.369 2.722 30 40 FFEB COc1cc(Br)c(Br)c(/C=N/O)c1OC(C)=O 226302431 PZYIBUYJMGQWHR-YIXHJXPBSA-N 366.993 2.954 30 40 FFEB C=CCn1c(N)c(C(=O)OC[C@H]2CCCO2)c2nc3ccccc3nc21 2421442 BENJHPLEHAKOSU-GFCCVEGCSA-N 352.394 2.689 30 40 FFEB C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nc2ncccc2c1=O 31614912 NHZYZYZCOTURBU-UKRRQHHQSA-N 372.494 2.765 30 40 FFEB COC1=C[C@H](/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)CC[C@@H]1O 100007691 HZSBKDOTUYISNN-NDGQIYGYSA-N 372.417 2.800 30 40 FFEB COc1cc(C#N)ccc1OCc1nnnn1-c1ccc(OC(F)F)cc1 59926163 ZDSTZUXYMNUWPI-UHFFFAOYSA-N 373.319 2.723 30 40 FFEB COc1ccccc1N1CCN([C@H](C)C(=O)Nc2sccc2C#N)CC1 57389619 ZBWCQZDTRLADMN-CQSZACIVSA-N 370.478 2.778 30 40 FFEB N#CCCCN1C(=O)[C@@](O)([C@@H]2CCc3ccccc3C2=O)c2ccccc21 2198277 SFBPWLLYUSEXOP-GCJKJVERSA-N 360.413 2.970 30 40 FFEB COCc1cc(C)nc(SCc2nc3ccccc3c(=O)[nH]2)c1C#N 17723526 MIGXPQBVQJWLOH-UHFFFAOYSA-N 352.419 2.937 30 40 FFEB C=CCN1CC[C@]2(CN(Cc3cccnc3)C[C@@H]2c2nccs2)C1=O 306142883 XNDUIVNRQKODCG-VQIMIIECSA-N 354.479 2.542 30 40 FFEB N#Cc1c(F)cc(CNC(=O)C[C@H]2CC(=O)Nc3ccccc32)cc1F 1155209110 DUHGOAWRGBVRER-LBPRGKRZSA-N 355.344 2.969 30 40 FFEB CCCCN(C)C[C@@H]1[C@H](CC)CN(C(=O)c2ccc(C#N)cc2)[C@@H]1CO 1772595100 XCPDTELXNLXXLC-MISYRCLQSA-N 357.498 2.749 30 40 FFEB CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 7054759 JVTCPGBSPJLJMO-UHFFFAOYSA-N 357.435 2.841 30 40 FFEB CCC[C@H](CC[n+]1c(C)n(CC)c2ccc(C#N)cc21)S(=O)(=O)O 4904778 ZTHRGHJFPZRSTP-OAHLLOKOSA-O 350.464 2.575 30 40 FFEB COc1cc(OC)c(CNC(=O)NCc2ccc(C#N)cc2)c(OC)c1 69351414 GZLAXIJDGHVDHH-UHFFFAOYSA-N 355.394 2.583 30 40 FFEB Cc1ccc(S(=O)(=O)/N=C2\C=CC(=O)C(Br)=C2)c(C)c1 645722 XQLWDYFUNSBESG-LFIBNONCSA-N 354.225 2.851 30 40 FFEB C[C@H]1Sc2ccc(C(=O)[C@@H](C#N)C(=O)NC3CCCCC3)cc2NC1=O 103503905 IJCRTPFSXRGPBV-BXUZGUMPSA-N 371.462 2.891 30 40 FFEB COCc1ccc(/C(O)=N/S(=O)(=O)Cc2ccc(Cl)nc2)cc1 58149558 JRUSPAVCKQZFIN-UHFFFAOYSA-N 354.815 2.716 30 40 FFEB COc1ccc(C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)cc1OC 6609184 CQAXORWJOOOYDB-UHFFFAOYSA-N 360.410 2.545 30 40 FFEB COc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3cccc(Cl)c3)C2=O)cc1 408537773 XDUNEIYDLBLJKI-OAHLLOKOSA-N 371.780 2.950 30 40 FFEB CCNC(=O)[C@H]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 76545496 JDDHBQOTNZSXRI-LBPRGKRZSA-N 366.368 2.540 30 40 FFEB Cn1cc(NC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c(C2CC2)n1 529103098 JMKPJPHEMNGIAF-UHFFFAOYSA-N 365.437 2.997 30 40 FFEB O=C(ON1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O)c1cccnc1 138831211 GMYXHIZYTIAAJD-UHFFFAOYSA-N 363.285 2.511 30 40 FFEB CC1=C/C(=N\S(=O)(=O)c2ccc(C)cc2)C=C(Br)C1=O 947547 PRDPJJKFDPEEQF-LFIBNONCSA-N 354.225 2.933 30 40 FFEB C#CCOc1c(Br)cc(/C=C2\C(=O)ON=C2C)cc1OC 12475366 QMBJMLWHKVDQDJ-WDZFZDKYSA-N 350.168 2.786 30 40 FFEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(O)cc1)c1ccco1 795020 ZADQUMWBSYNJNV-PBHICJAKSA-N 369.373 2.743 30 40 FFEB Cc1ccc(NC(=O)C2CCN(CCOc3cccc(C#N)c3)CC2)nc1 58181701 PYIQXWGMHSBXGB-UHFFFAOYSA-N 364.449 2.991 30 40 FFEB C=CCN1C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(C(=O)OC)=C1C 12979279 VXPPCZBVAFKMII-CQSZACIVSA-N 352.337 2.987 30 40 FFEB C=CCC1=C[C@@]2(OC)OC(=O)[C@@H](C1=O)[C@H](c1ccc3c(c1)OCO3)[C@H]2C 39094891 CCGXHZFEGSPDIC-GLRCHQFTSA-N 356.374 2.736 30 40 FFEB biogenic,in-vitro CCOC(=O)CC[C@H](OS(=O)(=O)c1ccc(C)cc1)C(F)(F)F 85388595 USANMLTUTYOGDY-LBPRGKRZSA-N 354.346 2.975 30 40 FFEB C=CCCc1ccccc1NC(=O)N1CCC[C@H](CS(=O)(=O)NC)C1 626555138 LVDDTORINZYEOM-HNNXBMFYSA-N 365.499 2.598 30 40 FFEB CCOc1ccc(C(=O)NCC(=O)OCc2cc(C#N)ccc2F)cc1 11316391 ZBCNEKPZARPVMF-UHFFFAOYSA-N 356.353 2.569 30 40 FFEB COc1cccc(/C(N)=N/OC(=O)/C=C/c2ccc(OC)c(OC)c2)c1 12655400 LOIHFICJSITHLI-CSKARUKUSA-N 356.378 2.589 30 40 FFEB CC(C)(C)c1cn2nc(N3CCN(c4ncccc4C#N)CC3)ccc2n1 1888890066 IEUQYMOGOMARJT-UHFFFAOYSA-N 361.453 2.620 30 40 FFEB CCOc1cc(/C=N/n2cnnc2)ccc1Oc1nc(Cl)ncc1F 2310043 WZSSAOLROVIPEF-AERZKKPOSA-N 362.752 2.934 30 40 FFEB COc1cc2c(cc1OC)/C(=C/C(=O)c1ccc3c(c1)OCCO3)NCC2 4085544 IIVAIXBXETZHDO-VBKFSLOCSA-N 367.401 2.845 30 40 FFEB biogenic C=CCOc1ccc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 408620559 PFPWYYUVHLRKFA-UHFFFAOYSA-N 374.462 2.965 30 40 FFEB O=c1nc(N/N=C/c2ccccc2[N+](=O)[O-])sc2ccc([N+](=O)[O-])cc12 9971204 UTULPMBSZOEXLH-LZYBPNLTSA-N 371.334 2.919 30 40 FFEB CCOC(=O)c1cc(C#N)c(SCC(=O)c2ccc(C)cc2)[nH]c1=O 8217110 KEKXBHBSPLNJQN-UHFFFAOYSA-N 356.403 2.707 30 40 FFEB CCOc1ccc(/C(O)=N/S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 46927143 UVLAZKDXKXRCFU-UHFFFAOYSA-N 362.407 2.737 30 40 FFEB COc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(Cl)cc3)C2=O)c1 408535719 ONZNZNKXNNOGOF-OAHLLOKOSA-N 371.780 2.950 30 40 FFEB N#Cc1ccccc1S(=O)(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 7309533 DFPGGWRGXGVMTJ-INIZCTEOSA-N 370.430 2.855 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)CCc1ccc2c(c1)OCCO2 24705451 UITVWSZQCIZNSM-UHFFFAOYSA-N 366.417 2.945 30 40 FFEB C/C(=N/N=C1\NC(=O)[C@@H](CC(=O)O)S1)c1ccc(OCC(C)C)cc1 34118258 NAJLIGAGWHNXGW-AXLWCPOOSA-N 363.439 2.508 30 40 FFEB N#Cc1ccc(F)c(CN(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)c1 40040838 IYZTWIFHJXDSKT-OAHLLOKOSA-N 364.467 2.948 30 40 FFEB C=CCNC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(OC)cc2)c1 224320918 AAUFYRFGBVEFPU-UHFFFAOYSA-N 374.462 2.745 30 40 FFEB C[C@H]1CCc2c(sc(NC(=O)COc3ccccc3C#N)c2C(N)=O)C1 2653762 NFBKYDYPMIGYLQ-NSHDSACASA-N 369.446 2.861 30 40 FFEB N#Cc1nccnc1N1[C@H]2CC[C@H]1CC(n1cc(Br)cn1)C2 1888842723 CTAGTIRRCMQXGX-RYUDHWBXSA-N 359.231 2.680 30 40 FFEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cnc2sccn2c1=O 32908476 XBBKLFOTWAMREH-UHFFFAOYSA-N 372.409 2.803 30 40 FFEB N#Cc1ccnc(N2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)c1 22898138 XRVOUHDJRRSMIY-UHFFFAOYSA-N 358.804 2.637 30 40 FFEB COc1cc(C(=O)/C=C/c2ccc(O)c([N+](=O)[O-])c2)ccc1OCC(=O)O 13350770 IYPXEVZSUSSCRO-GORDUTHDSA-N 373.317 2.669 30 40 FFEB COc1ccc(-n2ccnc2SCC(=O)N[C@](C)(C#N)C2CC2)cc1 6589773 XLYUPTFUYCXPCR-GOSISDBHSA-N 356.451 2.781 30 40 FFEB COc1ccc(NC(=O)NC(=O)COc2ccc(C#N)cc2Cl)cc1 8746120 FISGEPLSIWHXLC-UHFFFAOYSA-N 359.769 2.947 30 40 FFEB CC1=NN(C(=O)COc2ccc(C#N)cc2)[C@@](O)(c2ccc(F)cc2)C1 408563941 SMIXPPXPISAHDL-IBGZPJMESA-N 353.353 2.530 30 40 FFEB O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1cccc(O)c1)c1ccc(Cl)cc1 8771165 LKYIAQCUXIXPQX-INIZCTEOSA-N 373.792 2.616 30 40 FFEB CC(=O)[C@H]1C(=O)c2c(cccc2[N+](=O)[O-])/C1=N/c1ccc([N+](=O)[O-])cc1O 100703973 ZHJXQJSQSZLEDP-OHTQGHCMSA-N 369.289 2.731 30 40 FFEB COCCNC(=S)NCCCNc1nc2c(C)c(C)ccc2cc1C#N 20151206 XTJOOLSCWSTHOP-UHFFFAOYSA-N 371.510 2.636 30 40 FFEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2cccc(O)c2)cc1 19138365 UONFLIQGIMNBPK-ACJLOTCBSA-N 367.401 2.660 30 40 FFEB N#Cc1cccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 78954221 SRCAXDZYERMXLK-UYAOXDASSA-N 364.449 2.563 30 40 FFEB COc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2ccc(C)cc2C)C1=O 408533102 JKNZJVRIQHQSRO-CQSZACIVSA-N 365.389 2.914 30 40 FFEB CC(C)(C)OC(=O)N1CC(n2nccc2NC(=O)c2ccc(C#N)s2)C1 1539039609 UAXCQLFDPVOONF-UHFFFAOYSA-N 373.438 2.860 30 40 FFEB CC(C)c1n[nH]c(/N=C(\O)CCN2C(=O)C[C@@](C)(c3ccccc3)C2=O)n1 72405693 IXFRGIAMYBDFGU-IBGZPJMESA-N 369.425 2.623 30 40 FFEB N#Cc1c(NC(=O)[C@@H]2CC(c3ccccc3O)=NO2)sc2c1CCC2 13123886 OIYIIBRONOKKIA-HNNXBMFYSA-N 353.403 2.946 30 40 FFEB aggregator COc1ccc2c(c1)OCC/C2=N\OC(=O)c1ccc(OC)c([N+](=O)[O-])c1 13614578 PNXILNPGVFFLPX-XMHGGMMESA-N 372.333 2.956 30 40 FFEB N#Cc1ccc(Cn2cc(C(=O)C(=O)N3CCOCC3)c3ccccc32)cc1 14136006 KRJGOWSIBIFDBK-UHFFFAOYSA-N 373.412 2.603 30 40 FFEB Cc1nc(C(C)(C)C)nc(N2CCN(c3ccc(C#N)nc3)CC2)c1F 1888864216 UEFQLHYBCSLPRN-UHFFFAOYSA-N 354.433 2.815 30 40 FFEB C=CCNS(=O)(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1 1891218 HQVZOQOYHMFGIJ-UHFFFAOYSA-N 363.420 2.606 30 40 FFEB C=CCNC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 10369635 OVVGZYUOAWBORY-UHFFFAOYSA-N 362.426 2.708 30 40 FFEB N#Cc1cnc2ccccc2c1N1CCN(C(=O)CC[C@H]2CCOC2)CC1 176979209 IQWMTZIHRFZIMZ-INIZCTEOSA-N 364.449 2.572 30 40 FFEB N#Cc1ccc(NC(=O)CNc2ccccc2SCC(N)=O)cc1Cl 12522502 HKGLUBGFPSLBPC-UHFFFAOYSA-N 374.853 2.840 30 40 FFEB CC1CCN(C(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)CC1 5238215 AMACRDVEVWDOKA-UHFFFAOYSA-N 368.462 2.659 30 40 FFEB C/C(=N\OCC(=O)O[C@@H](C)C(=O)c1ccccc1)c1ccc2c(c1)OCO2 7058972 FQVXCFMASFSTJL-HADWXUJASA-N 369.373 2.971 30 40 FFEB Cc1cc(N2CCC[C@H](Nc3cc(C#N)c4ccccc4n3)C2=O)n(C)n1 78675307 QLBPIOSHSKVAPY-KRWDZBQOSA-N 360.421 2.756 30 40 FFEB COc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c1O[C@@H](C)C(=O)O 409228287 WTOPIBAOGVUTOO-HPAYWCODSA-N 359.338 2.901 30 40 FFEB CCCN[C@@H](c1ccc(/C=N\NC(=N)N)cc1)C(Cl)(Cl)Cl 31938617 CGHUFJUVOKWNPJ-WTBFLKMWSA-N 350.681 2.914 30 40 FFEB C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO 39205939 DKATUDLICUZKEG-YNTOWDPBSA-N 358.478 2.689 30 40 FFEB N#Cc1cccc(C(=O)N2CCC3(CC2)C[C@@H](Nc2ccccn2)CO3)c1 96221336 MWYKWRRJNFHKEP-GOSISDBHSA-N 362.433 2.829 30 40 FFEB CC1(C)OB(C2=CCN(C(=O)Cc3cccc(C#N)c3)CC2)OC1(C)C 1776000359 XFEUSGZIKGGJHV-UHFFFAOYSA-N 352.243 2.891 30 40 FFEB C[C@@H]1CCc2sc(NC(=O)C3(S(C)(=O)=O)CC3)c(C#N)c2[C@@H]1C 297829569 MNWATPLYBXNGJK-NXEZZACHSA-N 352.481 2.821 30 40 FFEB CC(C)(C)N1C(=O)CS[C@@H](C(=O)NC2CC2)[C@H]1c1ccc(C#N)cc1 952964695 MFBSNHXIFBBQPL-IAGOWNOFSA-N 357.479 2.620 30 40 FFEB N#Cc1ccc(OCC(=O)N2CCN(c3ccccc3Cl)CC2)cc1 5392461 SJXDCNJVMSCTTO-UHFFFAOYSA-N 355.825 2.939 30 40 FFEB C=CCN1C(=O)[C@@H](C)S/C1=N/S(=O)(=O)c1ccc(Cl)s1 4538168 SCYMYXTZOKUKOO-HAUXJGJXSA-N 350.874 2.596 30 40 FFEB C=CCOc1ccc(C(=O)N2CC[C@@H]3C[C@H](c4n[nH]c(C)n4)O[C@@H]3C2)cc1 2055756412 LZSDJRTVYODJQT-KBAYOESNSA-N 368.437 2.670 30 40 FFEB C=CCNC(=O)Cn1c(CO)cnc1SCc1c(F)cccc1Cl 9827544 DIILRSXMLXTRND-UHFFFAOYSA-N 369.849 2.762 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(C)o1 13123927 WELQVDODJWBSAB-KRWDZBQOSA-N 371.389 2.821 30 40 FFEB NC(=S)N/N=C(\Cc1ccccc1)CC(O)(C(F)(F)F)C(F)(F)F 8642296 PCFADYHVEIBUEZ-ZVBGSRNCSA-N 373.322 2.664 30 40 FFEB Cc1c(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c2ccccc2n1C 100982591 JMKLJPSHWBKORH-MROBHSHPSA-N 359.429 2.874 30 40 FFEB N#Cc1ccccc1N1CCC[C@H](NCc2ccc(-n3cncn3)cc2)C1 109077860 PVFJNEQYGNHHPW-IBGZPJMESA-N 358.449 2.898 30 40 FFEB C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2cn3ccccc3c2C#N)C1=O 58214898 SFWNLMXSBDICPC-OAQYLSRUSA-N 369.384 2.650 30 40 FFEB N#Cc1nc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)[nH]c1C#N 58218258 PWCQGSASHPQGJE-GHMZBOCLSA-N 356.183 2.658 30 40 FFEB N#C[C@@H](COC(=O)c1ccc(N2CCNC2=O)cc1)Cc1ccc(F)cc1 58393521 XGLMVJYNORIKIL-HNNXBMFYSA-N 367.380 2.895 30 40 FFEB C=C(C)CNC(=S)N/N=C/c1ccc(OC(=O)c2ccco2)c(OC)c1 3350553 XGWZEYFUZWJDMW-RGVLZGJSSA-N 373.434 2.882 30 40 FFEB CCOc1cc(/C=N/NC(N)=S)ccc1OCc1ccc([N+](=O)[O-])cc1 408887584 RZXBJBPBAOYJEB-VXLYETTFSA-N 374.422 2.740 30 40 FFEB N#C[C@]1(C(=O)O)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 242750339 ZMDWMBXXSXOTSK-UXLLHSPISA-N 361.806 2.874 30 40 FFEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccn1 17207201 UOSAEHLGRYTPCH-INIZCTEOSA-N 371.462 2.673 30 40 FFEB N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CCCc3ccccc32)cc1 40128565 GJIFGKIZLVKFLU-LJQANCHMSA-N 368.458 2.667 30 40 FFEB CC(C)CNC(=O)c1ccccc1NC(=O)CNc1cccc(C#N)c1 11253760 HEMZGFMLQWUBIY-UHFFFAOYSA-N 350.422 2.995 30 40 FFEB Cc1cccnc1NC(=O)[C@@H]1CCCN(c2nnc(C)c(C)c2C#N)C1 52468923 SODUYJWSOIMIRU-OAHLLOKOSA-N 350.426 2.524 30 40 FFEB N#Cc1ccccc1NC(=O)CCn1nnc(-c2ccc(Cl)cc2)n1 12918834 HOCXQQKOFAAWKX-UHFFFAOYSA-N 352.785 2.894 30 40 FFEB O=C(O)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1 6446688 RCIQQIFYMFSYNT-GROYHEBESA-N 351.358 2.583 30 40 FFEB CCn1nc(C(=O)OCCOc2ccc(C#N)cc2)c2ccccc2c1=O 8806888 CZKGQPTZJJXOTE-UHFFFAOYSA-N 363.373 2.524 30 40 FFEB CC(C)(C)N1C(=O)CS[C@H](C(=O)NC2CC2)[C@H]1c1cccc(C#N)c1 952964519 DWLWSRKLHPJNLG-SJORKVTESA-N 357.479 2.620 30 40 FFEB NC(=S)N/N=C/c1c(OC(=O)c2cccnc2)ccc2ccccc12 1465118 BJYUYKSYVFKZGH-SRZZPIQSSA-N 350.403 2.621 30 40 FFEB COc1ccccc1NC1=C(N2CCOCC2)C(=O)c2ccccc2C1=O 100801615 UBRDAMOQLXGBOJ-UHFFFAOYSA-N 364.401 2.730 30 40 FFEB C=CCSc1nnc(CNS(=O)(=O)c2ccc(Cl)cc2)n1CC 3134887 PLTJPCURXOBNGS-UHFFFAOYSA-N 372.903 2.708 30 40 FFEB N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCS(=O)(=O)C1 12873573 HPHDUBBNIJLSKM-CQSZACIVSA-N 372.471 2.626 30 40 FFEB C[C@H](OC[C@@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCCC2 69284190 DLJOOBLZZOTTOQ-BBRMVZONSA-N 367.467 2.795 30 40 FFEB N#Cc1ccnc(N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)c1 12971416 PYRSPNUBTQCDGY-UHFFFAOYSA-N 372.428 2.834 30 40 FFEB C/C(=N\NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1F 7942374 YJEKOEFKRYKPFF-VCHYOVAHSA-N 369.349 2.884 30 40 FFEB O=S(=O)(O)c1cccc(/C(=N/Nc2ccccn2)c2ccccn2)c1 12958638 RFBIFVJURBNJJY-FXBPSFAMSA-N 354.391 2.588 30 40 FFEB N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cc(F)ccc3Cl)C2=O)cc1 506877926 XCKQLFHWYJLQMK-QGZVFWFLSA-N 371.799 2.882 30 40 FFEB COc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c(OC)c1 14183576 UPGLDMVOPPITHF-IBGZPJMESA-N 365.433 2.726 30 40 FFEB N#C[C@@H](C1=NS(=O)(=O)c2ccccc21)c1nc2cc([N+](=O)[O-])ccc2o1 5738932 XVRKSBDYXQDMBH-NSHDSACASA-N 368.330 2.535 30 40 FFEB C=CCNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 22275209 RNFJALNTNSWLCI-UHFFFAOYSA-N 358.463 2.801 30 40 FFEB N#Cc1c(F)cccc1NCCNS(=O)(=O)c1ccc2c(c1)CCCC2 84339098 KGDOJTBVYFNHKU-UHFFFAOYSA-N 373.453 2.967 30 40 FFEB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1N=Cc1cc([N+](=O)[O-])ccc1Cl 408918135 GNGLISLAPJLWTP-OBPPPDSMSA-N 371.780 2.635 30 40 FFEB C=CCN1CC2(CCN(Cc3nccn3C)CC2)c2ccccc2C1=O 96080086 ACRSURDXAPNTNH-UHFFFAOYSA-N 350.466 2.596 30 40 FFEB CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(F)cc2C#N)s1 612735509 JWVQSGDWISDEBY-SECBINFHSA-N 367.427 2.757 30 40 FFEB CC(C)[C@](C)(C#N)NC(=O)CN[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F 599543443 ARTLDICUTPBCGJ-XYPHTWIQSA-N 369.387 2.565 30 40 FFEB COc1cccc(/C=C2/Oc3cc(OCC(=O)O)ccc3C2=O)c1OC 2131619 GPULRKODCUQIRB-LZYBPNLTSA-N 356.330 2.783 30 40 FFEB Cc1ccc(S(=O)(=O)/N=C2\SCCN2CC(=O)c2ccccc2)cc1 18061279 DMSRLFLGAXBJSM-HNENSFHCSA-N 374.487 2.971 30 40 FFEB N#Cc1cccnc1N1C[C@H]2CN(c3ncnc4cc(F)ccc34)C[C@@H]2C1 2087045432 SNCDJKKWZODTDI-GJZGRUSLSA-N 360.396 2.608 30 40 FFEB Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccn1 1775968072 NCTPIMDUYSLSHX-UHFFFAOYSA-N 371.462 2.741 30 40 FFEB N#Cc1nccnc1N1CCC(CNC(=O)Nc2c(F)cccc2F)CC1 206608547 LAOBCFBLDXSMRM-UHFFFAOYSA-N 372.379 2.665 30 40 FFEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccs1 20265630 XTSCXTSFECSFGQ-AWEZNQCLSA-N 362.476 2.950 30 40 FFEB COC(=O)c1cc(C#N)c(=O)n(CC(=O)c2ccc(C(C)(C)C)cc2)c1 31805461 ZPGAYHMERYMJKO-UHFFFAOYSA-N 352.390 2.687 30 40 FFEB C=CC[C@@]12C[C@H](OC1=O)[C@H]1[C@H](CC=C3CC4(CC[C@@]31C)OCCO4)C2=O 104263401 HPJIPJBUJISTCO-HGDKKCICSA-N 358.434 2.943 30 40 FFEB COc1cc(/C=N\NC(=S)Nc2ccccc2)ccc1O[C@@H](C)C(=O)O 409009659 BCUBYZOUCMKIJW-XHEYCZLTSA-N 373.434 2.868 30 40 FFEB N#Cc1ccsc1NC(=O)CSc1nnc2[nH]c3ccccc3n12 6161454 ZBXQGVDHTKRKMO-UHFFFAOYSA-N 354.420 2.875 30 40 FFEB COC(=O)[C@@H](C#N)c1nc2ccccc2nc1NC1CCN(C(C)C)CC1 9417710 LNNSOLWCUJCSNJ-HNNXBMFYSA-N 367.453 2.695 30 40 FFEB Cc1noc(C)c1CN1Cc2cccn2C[C@H](Oc2ccc(C#N)cn2)C1 306128399 GZJPWYTZHPJLTF-GOSISDBHSA-N 363.421 2.823 30 40 FFEB COC[C@](C)(O)CNC(=O)c1ccccc1Sc1ccccc1C#N 72304499 PQIOTZDVQIITJQ-LJQANCHMSA-N 356.447 2.837 30 40 FFEB N#Cc1cccc(C(=O)N2CC3(C2)OCC[C@@H]3CCOc2ccccn2)c1 306140521 UVZYZZXRMVYDIA-SFHVURJKSA-N 363.417 2.653 30 40 FFEB C/C(=N\N=C1\S[C@@H](CC(=O)O)C(=O)N1c1ccccc1)c1ccco1 4480845 LPWZTQQUBFICOZ-QIQUMSAJSA-N 357.391 2.983 30 40 FFEB CC(C)(C)C(=O)Nc1ccc(N2CCN(c3ccc(C#N)cn3)CC2)cn1 2298049955 VQPUYQIYQKBYDU-UHFFFAOYSA-N 364.453 2.659 30 40 FFEB CC(=O)/C(C(=O)COC(=O)CCCOc1ccc(Cl)cc1C)=C(\C)N 104941308 VTCKPMSTTVRANH-PDGQHHTCSA-N 367.829 2.741 30 40 FFEB COC(=O)[C@H]1CCCCN1C/C(O)=N/c1ccc(Cl)cc1[N+](=O)[O-] 27560847 NDSMVQJNELUKKX-GFCCVEGCSA-N 355.778 2.864 30 40 FFEB Cc1csc(C/C(N)=N\OCC(=O)N2c3ccccc3CC[C@@H]2C)n1 63456499 FONWUFQOXBHXSS-ZDUSSCGKSA-N 358.467 2.651 30 40 FFEB O=C1Oc2ccccc2C(=O)/C1=C\N1CCN(c2ccccc2F)CC1 32699267 APSGNVNWVOSXGT-FYWRMAATSA-N 352.365 2.634 30 40 FFEB COc1cccc(N2CCO[C@H]2c2cn(Cc3ccc(C#N)cc3)nn2)c1 216765434 CSHCWNBJOXYXFW-FQEVSTJZSA-N 361.405 2.742 30 40 FFEB COc1ccc(NC(=O)[C@](C)(C#N)c2ccc(Cl)cc2)cc1C(N)=O 225961098 VPFUCTPAWNTVBZ-GOSISDBHSA-N 357.797 2.867 30 40 FFEB Cn1ccnc1C(Nc1nc(C(F)(F)F)ccc1C#N)c1nccn1C 528130681 OAROXIDQKAIOCK-UHFFFAOYSA-N 361.331 2.641 30 40 FFEB C[C@@H]1C[C@H]2O[C@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 253987427 WYZWZEOGROVVHK-TURNYIBQSA-N 364.781 2.692 30 40 FFEB CN(CCC(=O)Nc1ccccc1C#N)CC(=O)Nc1cccc(F)c1 12754312 SSHPQWXXIPLLBB-UHFFFAOYSA-N 354.385 2.596 30 40 FFEB C[C@@H](OC(=O)c1ccc2nc(N)sc2c1)C(=O)Nc1cccc(C#N)c1 7057224 QWKSQIQAQVWCAW-SNVBAGLBSA-N 366.402 2.934 30 40 FFEB CC(=O)[C@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 118924068 UWMKPWKZGHRUQC-QJYNGXKYSA-N 358.478 2.831 30 40 FFEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1 32506819 SCSWXCGTHWKTOP-WPIBOPBSSA-N 366.508 2.787 30 40 FFEB C=CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(OC)cc1 224862867 PZTIZAIRALTNCS-UHFFFAOYSA-N 361.419 2.848 30 40 FFEB N#Cc1cccc(N2CCC[C@@H](COc3ncc(Br)cn3)C2)n1 1775995736 GTAPBDMDTLJJPF-GFCCVEGCSA-N 374.242 2.801 30 40 FFEB CC1(C)CC(=O)C2=C(C1)Nc1nc(N)nc(N)c1[C@H]2c1ccc(F)cc1 10339089 DGJUIANUKJAUDD-ZDUSSCGKSA-N 353.401 2.981 30 40 FFEB C=CCn1c(=O)c2ccccc2n2c(SC[C@H]3CCCCO3)nnc12 3365141 HOCFXRIHRZTJSG-CYBMUJFWSA-N 356.451 2.891 30 40 FFEB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 12914835 FFKANDPRDIMVRV-UHFFFAOYSA-N 354.366 2.651 30 40 FFEB Cc1ccc(C/N=C2\NC(=O)[C@@H](CC(=O)NCc3ccccc3)S2)cc1 8491888 ZUQXYYSCVLENMT-QGZVFWFLSA-N 367.474 2.789 30 40 FFEB CNc1oc(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3)o2)nc1C#N 71287359 URFZZAVTNKXZEJ-UHFFFAOYSA-N 372.406 2.669 30 40 FFEB CC/N=C1\S/C(=C\c2cc([N+](=O)[O-])cc(OC)c2O)C(=O)N1CC 408842463 AAYAQAWCQJWFRT-HQTZFYGISA-N 351.384 2.621 30 40 FFEB CCNC(=S)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1 33792798 UYIJRHNJLRAKDH-CIAFOILYSA-N 370.478 2.830 30 40 FFEB C/C(=N\Nc1nc(=O)c(Cc2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 5126324 OFZGIJSNUHHKST-UDWIEESQSA-N 364.365 2.500 30 40 FFEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCO)[C@@H]2c2ccc(F)cc2)cc1 104139408 RETOVWIILAIDKK-SELCWUDQSA-N 369.392 2.938 30 40 FFEB COc1ccc(OC)c([C@@H]2C(C(C)=O)=C(O)C(=O)N2Cc2cccnc2)c1 870982 RJAZDYVCKDXATO-GOSISDBHSA-N 368.389 2.583 30 40 FFEB biogenic CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1cccc(F)c1 102929615 WKOMKVROLYVYLP-GHNGSUTGSA-N 368.408 2.809 30 40 FFEB CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 847047 QWMOLEGEILBCGX-INIZCTEOSA-N 354.318 2.789 30 40 FFEB CCCCOC(=O)c1cccc(-c2ccc(/C=N\Nc3nncn3N)o2)c1 23552080 WZJZPBPQBDJLEM-JAIQZWGSSA-N 368.397 2.655 30 40 FFEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1C 101310632 QQJIOFACVSBDBZ-WPIBOPBSSA-N 366.508 2.705 30 40 FFEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CNC(=O)C1CC1 57090435 HNSXGQFKOQYPCQ-UHFFFAOYSA-N 350.378 2.519 30 40 FFEB COc1cccc(OC/C(O)=N/S(=O)(=O)c2cc(F)ccc2F)c1 48471593 PIJODMFZKBUXOR-UHFFFAOYSA-N 357.334 2.698 30 40 FFEB COC(=O)/C(=N\Nc1ccc([N+](=O)[O-])cc1)N1CCCc2ccccc21 13659010 CMYFBPLBMJDGNL-LVZFUZTISA-N 354.366 2.946 30 40 FFEB COCCCNC(=S)NCCCNc1nc2ccc(C)cc2cc1C#N 20151227 HODRFVZYEKNOAW-UHFFFAOYSA-N 371.510 2.718 30 40 FFEB COc1cccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 408530885 FYWYUYNKAOGBPX-OAHLLOKOSA-N 351.362 2.605 30 40 FFEB COc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C)nn32)c(OC)c1 22608100 WHVLAOQBCZODTB-XTZNXHDOSA-N 354.410 2.872 30 40 FFEB C=CCNC(=O)c1cc(Cl)c(I)cc1OC 40073404 CQGDBEKJYKOFFX-UHFFFAOYSA-N 351.571 2.869 30 40 FFEB C=CCNC(=S)N/N=C\c1ccc(OC(=O)c2ccccc2)c(OC)c1 12374251 FQLJTFPAMFTPCF-BKUYFWCQSA-N 369.446 2.898 30 40 FFEB N#Cc1ccc(COC(=O)C2CCN(c3ccc(Cl)nn3)CC2)cc1 36393945 XZTLKMASOXCCIL-UHFFFAOYSA-N 356.813 2.961 30 40 FFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 12977268 YHYCIALVAREDMP-CABCVRRESA-N 361.405 2.784 30 40 FFEB CCOc1ccc(/C=N/NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 5163569 WIBPYWUHVBQUOF-GZTJUZNOSA-N 363.395 2.614 30 40 FFEB COC(=O)c1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2ccc(Cl)cc2)cc1 16741645 SYDWAINLSRRAEB-OAHLLOKOSA-N 371.776 2.993 30 40 FFEB N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2ccc(F)cc2Cl)C1 225482794 NLEPFKPXSSIINB-GFCCVEGCSA-N 360.776 2.824 30 40 FFEB CSc1ncc(Cl)c(C(=O)NCCNc2cccc(F)c2C#N)n1 47332496 ODMNRYPGNSNBKK-UHFFFAOYSA-N 365.821 2.705 30 40 FFEB CC(C)[C@H]1Cc2c(c(N3CCOCC3)nc3sc(C#N)c(N)c23)CO1 5323121 GNJFLONYLCKFPP-CYBMUJFWSA-N 358.467 2.684 30 40 FFEB COc1ccc(/C=N/NC(=S)Nc2ccc(OC)c(OC)c2)cc1O 6320127 KYQXIJRNFFJVKV-VCHYOVAHSA-N 361.423 2.739 30 40 FFEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 104034465 SBWFGPHREUYNQB-IBOXJLQUSA-N 352.346 2.955 30 40 FFEB COc1ccc(N2CCN(C(=O)Cn3cc(C#N)c4ccccc43)CC2)cc1 51319133 HLMPAFRJEPFTLX-UHFFFAOYSA-N 374.444 2.870 30 40 FFEB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)C#N)o2)c1 3427685 MTNOSRYRZJFMIF-LLVKDONJSA-N 366.468 2.771 30 40 FFEB C[C@]1(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)CC1(Cl)Cl 5017819 BAGALNIWJCWTRJ-CYBMUJFWSA-N 372.164 2.532 30 40 FFEB C=CCSc1nnc(NS(=O)(=O)c2ccc(OC)c(C)c2)s1 225054912 NCNGEJNBSYKCPE-UHFFFAOYSA-N 357.482 2.934 30 40 FFEB C=C(C)CN1CCC(NC(=O)NCCc2ccc(OC)c(OC)c2)CC1 78533112 DSZLXKXXGKQDNJ-UHFFFAOYSA-N 361.486 2.586 30 40 FFEB COc1cc(Br)c(/C=N/n2c(C)n[nH]c2=S)cc1OC 8227563 ZVOJIERMGOOOTL-MKMNVTDBSA-N 357.233 2.911 30 40 FFEB COc1cc(/C(C)=N/Nc2cccc(C(=O)O)c2)ccc1S(C)(=O)=O 57778208 HMOHESLFDMQMMB-WOJGMQOQSA-N 362.407 2.633 30 40 FFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1cccc(NC(=O)C2CC2)c1 12752440 IQZXJGQAVQDVCR-AWEZNQCLSA-N 363.417 2.990 30 40 FFEB COc1ccccc1N(CCC#N)C(=O)COc1ccc([N+](=O)[O-])cc1 5216442 VSGKMTZWNWVIBA-UHFFFAOYSA-N 355.350 2.929 30 40 FFEB CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc(Cl)c1O 409183066 QWAIJDHQULAXCV-SVSZDKMXSA-N 374.824 2.975 30 40 FFEB Cc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2ccc(N(C)C)cc2)C1=O 408532623 IPPWEWASVXWDCP-INIZCTEOSA-N 364.405 2.663 30 40 FFEB C=CCNC(=O)Cc1csc(SCC(=O)Nc2ccc(F)cc2)n1 8851818 AIYVQVRLIWHCHK-UHFFFAOYSA-N 365.455 2.858 30 40 FFEB CCN(CC)S(=O)(=O)c1ccc(-c2nc(C#N)c(NC3CC3)o2)cc1 12421048 QFVRUCMVXLLTNK-UHFFFAOYSA-N 360.439 2.818 30 40 FFEB C#CCn1/c(=N/C(=O)c2ccccc2)sc2cc(C(=O)OC)ccc21 100875123 SHTWJTJGBNPCNY-VXPUYCOJSA-N 350.399 2.864 30 40 FFEB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1CCC(=O)Nc1sccc1C#N 45097014 VXTBVLSOOYOISZ-IUODEOHRSA-N 368.462 2.816 30 40 FFEB O=C(CO/N=C/c1ccco1)Nc1cccc(I)c1 3341559 RFKUSPFICOLJFK-OVCLIPMQSA-N 370.146 2.873 30 40 FFEB Cc1ccc(C(=O)N[C@@H](C)CC#N)cc1S(=O)(=O)NCc1ccccc1 62580212 WSMHVGPJQAGBFE-HNNXBMFYSA-N 371.462 2.506 30 40 FFEB N#CCCN(C(=O)Cn1cnc2sccc2c1=O)c1ccc(F)cc1 12930083 HNYVWICAJSKFTJ-UHFFFAOYSA-N 356.382 2.544 30 40 FFEB Cc1c(C#N)c(NC(=O)CN2CCCCCC2)n(C[C@@H]2CCCO2)c1C 8119152 UMYGHSUBOQCBQY-KRWDZBQOSA-N 358.486 2.970 30 40 FFEB C=CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 8294902 RBJWIXSRZNWMNW-UHFFFAOYSA-N 360.435 2.720 30 40 FFEB N#C[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1 7067723 HINKZCQTJOSSRG-QGZVFWFLSA-N 365.364 2.583 30 40 FFEB COc1ccc2oc(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c(C)c2c1 7783600 UKTPPEDFUHAKMW-LJQANCHMSA-N 358.394 2.961 30 40 FFEB COC(=O)C1=C(C)N(CC(F)(F)F)C(=O)N[C@@H]1c1cccc(C#N)c1 22832018 LIAQMTMRNYYOCM-CYBMUJFWSA-N 353.300 2.634 30 40 FFEB Cc1ccc(-c2ncc(C#N)c(=O)n2CC(=O)N(C)c2ccccc2)cc1 49006174 IYXBBDQGJAERFH-UHFFFAOYSA-N 358.401 2.753 30 40 FFEB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1 22373404 RSCLZCPTUPUKTA-IBGZPJMESA-N 373.453 2.705 30 40 FFEB C=CCn1c(SCC(=O)Nc2ccccc2)nc2ncccc2c1=O 31615151 ZSMIWEUUFXOIHA-UHFFFAOYSA-N 352.419 2.708 30 40 FFEB C=CCn1c(S[C@H](C(N)=O)c2ccccc2)nc2ccsc2c1=O 10783466 WXWPMHOUFYGBBP-ZDUSSCGKSA-N 357.460 2.963 30 40 FFEB C=CCn1cc(C(=O)c2cc(Br)ccc2O)cc(C#N)c1=O 5859795 GMJWVXZUYMEUTG-UHFFFAOYSA-N 359.179 2.605 30 40 FFEB Nc1nc2n(n1)[C@H](c1cccnc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 18199738 MNVGDXMGHYPCBB-MEDUHNTESA-N 364.434 2.733 30 40 FFEB CC(C)CN1C[C@@H](C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1=O 29782073 AWSOHJNRMOJEIN-HNNXBMFYSA-N 366.383 2.678 30 40 FFEB N#Cc1ccc(F)c(CN2CCN(C(=O)Cc3ccc(F)cc3)CC2)c1 32913768 BQQDRJPQTKWLCZ-UHFFFAOYSA-N 355.388 2.723 30 40 FFEB CC(C)Cn1c(C#N)cc(N)c1N1CCN(c2ccc3c(c2)OCO3)CC1 225871275 OLZNNZPDDMYWHW-UHFFFAOYSA-N 367.453 2.653 30 40 FFEB N#Cc1ccnc(OC[C@H]2CCCN(C(=O)c3cnc4ccccc4n3)C2)c1 1775971849 VQBLTZMXGVTQFY-INIZCTEOSA-N 373.416 2.828 30 40 FFEB COc1cc(/C=C2\CN(C3CCCCC3)C(=O)C2=O)ccc1OC(C)=O 5726399 FXRAXYDWFINRBG-XNTDXEJSSA-N 357.406 2.748 30 40 FFEB N#Cc1cccnc1OC1CCN(C(=O)COc2ccc(F)cc2)CC1 96102863 NSYVXVQDFCXUON-UHFFFAOYSA-N 355.369 2.541 30 40 FFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 6979919 OHCWPAZIHAWNJT-OAHLLOKOSA-N 353.397 2.813 30 40 FFEB C=CCNC(=O)CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 8221801 BPTYOJVZOLWRPE-INIZCTEOSA-N 372.490 2.961 30 40 FFEB COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1 670889 KUAAHTJIQGUODS-OAHLLOKOSA-N 357.406 2.796 30 40 FFEB COc1ccc2[nH]/c(=N\N=C3/C(=O)N(c4ccccc4)N=C3C)sc2c1 12625372 FPVOTARLUFVLOW-SILNSSARSA-N 365.418 2.917 30 40 FFEB N#Cc1c(N)oc2c(c1=O)CC[C@H](/N=C/c1cccc(Br)c1)C2 2300710 SDHNNJIWQDIIQX-NLTBIBMSSA-N 372.222 2.833 30 40 FFEB COc1ccc(Br)cc1C=Nn1c(O)nc2ccccc2c1=O 409353922 USFLFNXIVRACEQ-UHFFFAOYSA-N 374.194 2.755 30 40 FFEB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1cccc(C#N)c1 14135440 PBONABHGPJAKID-OAHLLOKOSA-N 360.421 2.770 30 40 FFEB N#Cc1cccc(NC(=O)COC(=O)CCC(=O)c2ccc(F)cc2)c1 5505764 CAPJSPYFLCPPPJ-UHFFFAOYSA-N 354.337 2.842 30 40 FFEB N#Cc1cnc(SCC(=O)Nc2c(Cl)cccc2Cl)nc1N 4935436 UVLKBFHCYOCQFB-UHFFFAOYSA-N 354.222 2.968 30 40 FFEB C/C(=N\Nc1ccc(S(=O)(=O)NC2CCCC2)cn1)c1ccc(N)cc1 97040505 RZLVDUKKQZUFMF-FYJGNVAPSA-N 373.482 2.721 30 40 FFEB Cc1c(CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)cccc1[N+](=O)[O-] 40116384 MCYWCNVHPOOCHI-IBGZPJMESA-N 364.361 2.742 30 40 FFEB CCN1CCC[C@H]1CNC(=O)c1cccc(Oc2cncc(C#N)c2)c1 685937325 HCHBCPOSVWPBCG-KRWDZBQOSA-N 350.422 2.960 30 40 FFEB N#Cc1cccnc1N1CCCN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)CC1 67619757 ITTQQOYQWLCYAU-RTBURBONSA-N 361.449 2.731 30 40 FFEB COc1cc(C#N)ccc1CN1[C@@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C 956939897 GHDBTCLFPXXZTJ-SUMDDJOVSA-N 360.479 2.907 30 40 FFEB CC1=C(C)/C(=N/OS(=O)(=O)c2cccc([N+](=O)[O-])c2)C=C(Cl)C1=O 12658766 RYUXVLKSIKGVQI-DTQAZKPQSA-N 370.770 2.698 30 40 FFEB C=CCN1C(=O)[C@H](CC)S/C1=N/S(=O)(=O)c1ccc(Cl)cc1 4537440 PGHHEYBCSFIWGQ-ZLUHGAPXSA-N 358.872 2.925 30 40 FFEB Cc1cc(N2CCCC2)nc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1 1889119464 PTKHSPRMTIDNJC-UHFFFAOYSA-N 362.481 2.579 30 40 FFEB CC(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)cc1 4275189 APOIXLNMFLUKBB-UHFFFAOYSA-N 367.430 2.979 30 40 FFEB COc1ccc(-c2nc(NCc3ccc(OC)nc3)nc(O)c2C#N)cc1 40130038 OFOLMNXFGQILQK-UHFFFAOYSA-N 363.377 2.745 30 40 FFEB C=CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 4968888 HNNVGZGMSOMYSB-UHFFFAOYSA-N 356.447 2.977 30 40 FFEB O=C(O)CN1C(=O)C(=O)/C(=C(O)\C=C\c2ccccc2)[C@H]1c1ccccc1 102649012 CKUCXKRHGMUPKP-KXZMRUAJSA-N 363.369 2.749 30 40 FFEB COc1cc(OC)c(OC)cc1/C=N/n1c(C)nc2ccccc2c1=O 777943 PCFQNGYIXUHCHJ-RGVLZGJSSA-N 353.378 2.613 30 40 FFEB Cc1ccc(C(=O)NC2CC2)cc1NCC(=O)N(C)C1(C#N)CCCCC1 55858366 HQPMQAAZUFHMOZ-UHFFFAOYSA-N 368.481 2.984 30 40 FFEB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CN(CC#N)C3CC3)C2=O)cc1 58162066 FHDIJJLEJGNTTQ-HXUWFJFHSA-N 354.454 2.697 30 40 FFEB COCc1c(C#N)c(O)nc(/C=C/c2ccc3c(c2)OCO3)c1[N+](=O)[O-] 409205182 ACWYAYCHECMNGE-DUXPYHPUSA-N 355.306 2.613 30 40 FFEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccncc2)no1 9411240 MNNHRYLZPCCNTL-HNNXBMFYSA-N 351.318 2.754 30 40 FFEB C[C@H](Oc1ccccc1C#N)C(=O)NCC(C)(C)NC(=O)OC(C)(C)C 72305458 RPDQAYCDGYEHLR-ZDUSSCGKSA-N 361.442 2.745 30 40 FFEB C=CCN(C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1cccc(C#N)c1 67870679 CDUONHWQCWWVGH-CMKODMSKSA-N 367.497 2.508 30 40 FFEB biogenic,in-vitro CCCOc1ccc(C(=O)N2CCN(c3ccc(N)cc3C#N)CC2)cc1 70462145 TUCUSKIHGYJDOA-UHFFFAOYSA-N 364.449 2.892 30 40 FFEB CCCCc1nc(OCCN2CCOCC2)c(C#N)c2c1COC(C)(C)C2 95473147 HNEHEWPMTJFWAQ-UHFFFAOYSA-N 373.497 2.858 30 40 FFEB C=CCCS(=O)(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1C1CC1 1664820618 WUBLRWQVKKWBRV-SFHVURJKSA-N 351.468 2.919 30 40 FFEB Cc1cc(N2CCN(c3cc(C#N)c4ccccc4n3)CC2)nc(N(C)C)n1 1889201639 VZKBPKOBOBPOEA-UHFFFAOYSA-N 373.464 2.598 30 40 FFEB C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[C@H](C#N)C(=O)c1nccn1C 101735950 FHDFQSHFHWOGLF-MNOVXSKESA-N 365.311 2.798 30 40 FFEB Cc1cc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)no1 58223091 CYZNNMBHJHWHFT-UHFFFAOYSA-N 353.382 2.737 30 40 FFEB C/C(=N\Nc1ccccc1C(=O)O)c1cccc(OCC(=O)N(C)C)c1 63844652 ODAXHCFHCMAGQI-DEDYPNTBSA-N 355.394 2.688 30 40 FFEB COc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3cccc(Cl)c3)C2=O)c1 408535393 NXVAZWIWBDQJBB-HNNXBMFYSA-N 371.780 2.950 30 40 FFEB N#Cc1cc(C#N)c(SCC(=O)N2CCC[C@H]2c2cccs2)nc1N 95360843 HWVASXVZTCMRQG-ZDUSSCGKSA-N 369.475 2.924 30 40 FFEB COC(=O)[C@@H]1CCCN1C(=O)/C=C/c1cn(CCC#N)c2ccccc12 95947398 LMMDZVLBOGZUGS-BBVFFXRHSA-N 351.406 2.732 30 40 FFEB C#CCN(Cc1ccco1)C(=O)CCc1cc(OC)c(OC)c(OC)c1 60182977 WLORMCSYLMOOTB-UHFFFAOYSA-N 357.406 2.900 30 40 FFEB C[C@H](CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccco1 529161338 SVARLYGHSGPTNT-PBHICJAKSA-N 351.406 2.562 30 40 FFEB N#Cc1nc(-c2ccccc2)oc1N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 32123876 PUPYVQUSVVSGTA-ZBFHGGJFSA-N 358.401 2.999 30 40 FFEB biogenic Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(CC#N)cc2)cc1 7912186 PAXXOXPXWHNRMX-UHFFFAOYSA-N 364.434 2.768 30 40 FFEB COc1ccc(OC)c([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)c1 804248 MEFHEFYVURXKKB-KRWDZBQOSA-N 354.410 2.953 30 40 FFEB COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(O)cc2)cc1OC 847052 XCMBISBNNFMGQY-GOSISDBHSA-N 369.373 2.898 30 40 FFEB biogenic COC(=O)c1ccc(OCC(=O)N(C)C2(C#N)CCCCC2)c(OC)c1 16655059 QZWDJCLGGYZPPY-UHFFFAOYSA-N 360.410 2.545 30 40 FFEB COC(=O)[C@@H]1C(=O)C2=C(CC1(C)C)N1CCc3ccccc3[C@@H]1CC2=O 2097458 KNBZHZUPWBHCEM-KSSFIOAISA-N 353.418 2.601 30 40 FFEB biogenic C#CCN(C(=O)NCCS(=O)(=O)c1ccccc1F)C1CCCCC1 72283425 PKGRDOONWZTSQI-UHFFFAOYSA-N 366.458 2.577 30 40 FFEB Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1c1ccc(C#N)nn1 95999466 RTCIXWRONVYEMM-GOSISDBHSA-N 360.421 2.729 30 40 FFEB COc1ccccc1NC(=O)COc1nc2c(cc1C#N)COC(C)(C)C2 40266202 WEKIOYQCDGENPN-UHFFFAOYSA-N 367.405 2.831 30 40 FFEB Cc1cc(C)n([C@H](C)CC(O)=Nc2ccc(N3CCN(C)CC3)nc2)n1 328854592 WMIYCCZSTCVZNI-MRXNPFEDSA-N 356.474 2.886 30 40 FFEB C=CCNC(=S)Nc1nc(N2CCCC2)cc(N2CCC[C@H](C)C2)n1 260712543 IUGRVFDPCUJNCK-AWEZNQCLSA-N 360.531 2.786 30 40 FFEB O=C1C=C[C@@H](Nc2ccccc2[N+](=O)[O-])[C@H]1Nc1ccccc1[N+](=O)[O-] 5487629 AXTFFAGFVLSOTN-CXAGYDPISA-N 354.322 2.903 30 40 FFEB O=C1C=C/C(=N/S(=O)(=O)c2ccc(Cl)cc2)C=C1Br 13563657 FWDSHJPFVAVWIK-DHDCSXOGSA-N 360.616 2.887 30 40 FFEB Cc1c(C(=O)/C=C/c2cnn(C)c2)nnn1-c1cccc(Br)c1 58210103 VWTWRSDNFGXRTP-VOTSOKGWSA-N 372.226 2.968 30 40 FFEB CCc1cccc(C)c1NC(=O)CO/N=C(/N)CC(=O)NC1CCCCC1 6497066 MILRUWNJVZVECD-UHFFFAOYSA-N 374.485 2.624 30 40 FFEB N#Cc1ccccc1OCC(=O)N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)F 408562762 BHHDULGEISYOSW-LRDDRELGSA-N 367.327 2.576 30 40 FFEB N/C(=N/OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Cl)cc1 15572936 WMCYEZVWJFSHKY-UHFFFAOYSA-N 363.757 2.952 30 40 FFEB NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1CCc1c[nH]c2ccccc12 8778671 CTBIUWXQWZCSFG-UHFFFAOYSA-N 357.417 2.799 30 40 FFEB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CCn3cc(C#N)cn3)C2=O)cc1 72288047 ACVMIFUMBIOMMB-HXUWFJFHSA-N 365.437 2.519 30 40 FFEB N#Cc1ccccc1NC(=O)CSCC(=O)Nc1ccccc1C#N 408585929 LCEYREVCKSWWMQ-UHFFFAOYSA-N 350.403 2.740 30 40 FFEB C=CCNS(=O)(=O)c1ccc(C(=O)N2CCn3cccc3[C@@H]2CC)cc1 95426666 XQTYFHLKAUJCME-KRWDZBQOSA-N 373.478 2.560 30 40 FFEB C[C@@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O 56962296 PIPYTRCOWXWDIK-CYBMUJFWSA-N 357.435 2.615 30 40 FFEB C#CCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc3c(cc21)OCCO3 1889054798 VEWMDVRNORLXDK-UHFFFAOYSA-N 359.381 2.945 30 40 FFEB COc1ccc(OC)c([C@H]2C(C(C)=O)=C(O)C(=O)N2Cc2cccnc2)c1 870981 RJAZDYVCKDXATO-SFHVURJKSA-N 368.389 2.583 30 40 FFEB biogenic COCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1 4888069 SBHPVAVXJARPJJ-OAHLLOKOSA-N 368.437 2.663 30 40 FFEB C/C(CC/C(C)=N\NC(=N)c1ccccn1)=N/NC(=N)c1ccccn1 104204482 QFJHOPMKDFIXKZ-GACBQCINSA-N 350.430 2.539 30 40 FFEB Cc1ccc(C)c(NC(=O)/C(=N/NC(N)=S)[C@H](C#N)c2ccccc2)c1 104280067 TWLKLEPGFUUZIZ-UBJVEFMGSA-N 365.462 2.739 30 40 FFEB COc1ccc(N2CCN(CC(=O)N(C)C3(C#N)CCCCC3)CC2)cc1 57548606 CZPZDPJSMMEOIH-UHFFFAOYSA-N 370.497 2.502 30 40 FFEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CCOc2ccc(F)cc2)C1=O 36185696 AEUKHMZGEGMTAT-IBGZPJMESA-N 353.353 2.543 30 40 FFEB N#CCSc1ccccc1NC(=O)Cn1cnc2ccccc2c1=O 6086944 KLCPKWLMSQEAFN-UHFFFAOYSA-N 350.403 2.651 30 40 FFEB CCN1C(C(=O)c2ccccc2)=C(OC(C)=O)c2ccccc2S1(=O)=O 6759804 DWDCPJVAHFTNEC-UHFFFAOYSA-N 371.414 2.825 30 40 FFEB N#Cc1ncn(CCNC(=O)N2CC3(CCCCC3)[C@@H]2c2ccccc2)n1 583189181 LHLZBWSECILKBZ-SFHVURJKSA-N 364.453 2.867 30 40 FFEB O=C1C(=C(c2ccc([N+](=O)[O-])cc2)N2CCOCC2)C(=O)c2ccccc21 1709797 RJDVRZZTAYITKG-UHFFFAOYSA-N 364.357 2.717 30 40 FFEB N#CCSc1ccccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1 2617932 KLZPKOIETYFXAK-UHFFFAOYSA-N 361.335 2.599 30 40 FFEB COc1cc(/C=C2/C(=O)ON=C2C)cc(I)c1OC 103589044 UKXQFYAOXRYDCE-RUDMXATFSA-N 373.146 2.625 30 40 FFEB N#Cc1cccc(NC(=O)N2CCN(CCCOCC(F)(F)F)CC2)c1 58173677 VQHMIMOMXZHMQY-UHFFFAOYSA-N 370.375 2.677 30 40 FFEB N/C(=N\C(=O)Nc1ccc(F)cc1)Nc1nc(=O)c2ccccc2s1 2298720 OFNLMENBQFYJDN-UHFFFAOYSA-N 357.370 2.754 30 40 FFEB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc(C#N)cc2)c1 3360051 GUPDHDUWBNLOBE-UHFFFAOYSA-N 364.810 2.681 30 40 FFEB Cc1cnc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cn1 6348423 DXFBMTRAPWNXFG-SNVBAGLBSA-N 370.434 2.639 30 40 FFEB COC(=O)[C@@H](CC(C)C)NC(=O)C[C@H](C)CC(=O)Nc1ccc(C#N)cc1 4694235 YIMCDCJSTAVAGU-RHSMWYFYSA-N 373.453 2.617 30 40 FFEB C=CCNc1nnc(SCC(=O)N2CCC(c3ccccc3)=N2)s1 5785849 KXGLCZZORJDPSZ-UHFFFAOYSA-N 359.480 2.865 30 40 FFEB CN(CN(C)/N=C\c1ccc([N+](=O)[O-])cc1)/N=C\c1ccc([N+](=O)[O-])cc1 31658540 BUDVXIAFIOUQOL-ZAORYEFMSA-N 370.369 2.692 30 40 FFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@]2(C#N)C(=O)O)cc1 252515003 FSORBNMCXYQMGS-NUJGCVRESA-N 359.378 2.668 30 40 FFEB CN(CCC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1cccc(F)c1 12911560 MFUDLRKWEJDNQD-UHFFFAOYSA-N 354.385 2.596 30 40 FFEB C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 13108477 OWQGFUFWFSKRDH-LICLKQGHSA-N 352.799 2.771 30 40 FFEB N#CCn1c(CSc2nncn2-c2ccccc2)nc2ccccc2c1=O 3405505 VGNSFDIQVCANNQ-UHFFFAOYSA-N 374.429 2.793 30 40 FFEB Cc1cc(C)c(NC(=O)CNC(=O)CNc2cccc(C#N)c2)c(C)c1 15294509 QBSPVRQJKBBGNV-UHFFFAOYSA-N 350.422 2.650 30 40 FFEB CC1=NN(c2ccc(C)cc2)C(=O)[C@@H]1/C=N/n1c(C)nc2ccccc2c1=O 102483182 KMUCUUVKZOLIMI-FNLSEGDXSA-N 373.416 2.886 30 40 FFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN[C@H]4CCCCNC4=O)[C@H]3C[C@H]12 12660031 FNZXGPROFSMFFW-NRBWNATRSA-N 360.498 2.559 30 40 FFEB biogenic C=CCn1c(S[C@@H](C)C(N)=O)nc2sc3c(c2c1=O)CC[C@@H](C)C3 3458728 JHKUSOFHGNGPNH-ZJUUUORDSA-N 363.508 2.735 30 40 FFEB Cc1c(Cl)cccc1-n1c(=O)c(C#N)cc2c(=O)n3ccccc3nc21 6809438 KWQKCJFSMHTJDL-UHFFFAOYSA-N 362.776 2.832 30 40 FFEB Cc1ccc(CN2C[C@H](C(=O)N3CCc4ccc(C#N)cc43)CC2=O)cc1 95441516 SYYGJOFFOQSMBA-LJQANCHMSA-N 359.429 2.805 30 40 FFEB C=CCOC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2OC)C1 73635754 ASMFPBYHJRWMJG-SNVBAGLBSA-N 354.200 2.540 30 40 FFEB C=CCN1CCC[C@@]12CCCN(S(=O)(=O)c1ccc(C)c(F)c1)C2 96214836 WSOCGGHDMUSXNZ-SFHVURJKSA-N 352.475 2.939 30 40 FFEB COc1ccc(/C(O)=N/S(=O)(=O)c2ccc(F)cc2F)c(OC)c1 48457062 TVJSWNOSFNWKBM-UHFFFAOYSA-N 357.334 2.676 30 40 FFEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cccc(Br)c1)[C@H]1C=C[C@H]2CC1 100175769 VOZDCUJQJWMUDR-YCJUXAPISA-N 359.223 2.980 30 40 FFEB C=CCN(C(=O)Cc1coc2c(C)c(C)ccc12)[C@@H]1CCS(=O)(=O)C1 58268180 PBMFBYQUHANVRL-MRXNPFEDSA-N 361.463 2.794 30 40 FFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCCN4CCCC4=O)[C@H]3C[C@@H]12 12659923 NWNADTATLWRPLF-GPUAKUCWSA-N 374.525 2.903 30 40 FFEB biogenic C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1 7538650 JNFUFYGMDSXPCX-LIRRHRJNSA-N 364.401 2.889 30 40 FFEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@@H]1/C=N/[C@H]1C[C@H]2CC[C@H]1C2 408532511 IHCSIUBWGFVWBJ-GMDKLLAYSA-N 359.813 2.798 30 40 FFEB N#Cc1ccc(NC(=O)CNc2ccc(-n3nccn3)cc2)cc1Cl 40105314 IBZMJZQFTFPJAQ-UHFFFAOYSA-N 352.785 2.843 30 40 FFEB CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 45467114 LDTLAJPAZMKFJD-GOSISDBHSA-N 365.433 2.939 30 40 FFEB C/C(=N\O)c1cc2c(cc1NC=C1C(=O)c3ccccc3C1=O)OCO2 100936765 IVOJBNMSLLECMZ-UFFVCSGVSA-N 350.330 2.989 30 40 FFEB O=C1Nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2N/C1=C\C(=O)c1ccc(F)cc1 4821961 DRRXVOGGJBXZOK-GHXNOFRVSA-N 372.268 2.773 30 40 FFEB COc1cc(/C=N\N=C\c2cc(OC)c(O)c(OC)c2)cc(OC)c1O 6661298 YARKTHNUMGKMGS-KFSYKRRRSA-N 360.366 2.585 30 40 FFEB CCCCN1C(=O)C[C@@H](/C(O)=N/c2ncn[nH]2)[C@@H]1c1ccc(OC)cc1 23140867 JWMIFMMZCYSSAP-ZBFHGGJFSA-N 357.414 2.791 30 40 FFEB O=[N+]([O-])c1cccc(-c2nc(/C=N/N3CCOCC3)c3ccccn23)c1 956907 JCBCJZYVPDUYGF-CPNJWEJPSA-N 351.366 2.576 30 40 FFEB CCOc1cc(C#N)ccc1OCC(=O)Oc1ccc(C#N)cc1OC 24511857 DOGIEAKCZMFZSA-UHFFFAOYSA-N 352.346 2.822 30 40 FFEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 101317251 ULZMFLOMHBUJAE-BLCHQYFCSA-N 372.899 2.742 30 40 FFEB C=C(C)CN(CC)S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 25648663 QFWQYNWRYSPGMJ-UHFFFAOYSA-N 364.389 2.565 30 40 FFEB C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(F)c(C)c2)cc1 10552515 NQXKHFTWGAOCKG-UHFFFAOYSA-N 362.426 2.528 30 40 FFEB C=CCn1c(SCC(=O)NC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 3266935 AEASHGHJPWJZFH-SNVBAGLBSA-N 363.508 2.607 30 40 FFEB CN(C)S(=O)(=O)c1cc(/N=C/c2cccc(O)c2O)ccc1Cl 6049130 ZYHPBVUHGUWNGK-RQZCQDPDSA-N 354.815 2.752 30 40 FFEB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@@H]1/C=N/Nc1ccccc1 408742375 QTRBXMIWGMYHJB-LEBHLANCSA-N 372.837 2.802 30 40 FFEB CC(C)(/C(O)=N/S(=O)(=O)C[C@H]1CCCCO1)c1cccc(C#N)c1 76913082 QWFAMLHWQBIVPE-OAHLLOKOSA-N 350.440 2.691 30 40 FFEB Cc1ccc2cc(C#N)c(N3CCCN(C(=O)c4cnccn4)CC3)nc2c1 15936082 BUTDEOOLUYWULX-UHFFFAOYSA-N 372.432 2.557 30 40 FFEB C=CCN1C(=O)NC(=O)/C(=C/c2cccc(OCc3ccccc3)c2)C1=O 5377252 JDOLHWPLMXBQTH-AQTBWJFISA-N 362.385 2.913 30 40 FFEB CC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccn3)NC2=O)cc1 12786582 RLXXYLLVMBYKHC-CQSZACIVSA-N 368.418 2.532 30 40 FFEB N#CC1(C(=O)NCc2c(C(=O)O)sc3ccsc23)CCOCC1 532612544 ZNISNHHQDFNWEQ-UHFFFAOYSA-N 350.421 2.598 30 40 FFEB N#Cc1c(-c2ccccc2)nc(SCn2nnc3ccccc32)[nH]c1=O 36612728 RDGBWEJJPGRVEK-UHFFFAOYSA-N 360.402 2.803 30 40 FFEB CCN1C(C(=O)c2ccccc2)=C(N(C)C)c2ccccc2S1(=O)=O 1250273 WBLHBDNJQQNEDB-UHFFFAOYSA-N 356.447 2.824 30 40 FFEB Oc1ccc(Br)cc1/C=N/NC(=S)Nc1cccnc1 12620762 XWQWOGDHCLXSLG-FRKPEAEDSA-N 351.229 2.870 30 40 FFEB Cc1ccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 16512474 BXRVHPLPYFEEPE-HNNXBMFYSA-N 350.422 2.764 30 40 FFEB COc1ccc(Cl)cc1N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N 5012163 NNUBDESRRZNSTR-UHFFFAOYSA-N 354.797 2.942 30 40 FFEB N#Cc1ccc(CN2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc1 14141987 ODXJZFBCMVPLBF-UHFFFAOYSA-N 373.412 2.623 30 40 FFEB N#C[C@@H](C(=O)CCCNC(=O)c1ccc(F)cc1F)c1ccc(F)cn1 80420562 ZRWGMEJXVJCSEA-CQSZACIVSA-N 361.323 2.885 30 40 FFEB N#CC1(NC(=O)COC(=O)c2nc(Cl)ccc2Cl)CCCCC1 9646305 MLBCGCAPYYPYHF-UHFFFAOYSA-N 356.209 2.888 30 40 FFEB CC(=O)N1CCCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 95953637 ZMWIPZPSILRKAN-OAHLLOKOSA-N 374.510 2.574 30 40 FFEB N#Cc1ccccc1OCC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 6850379 YXIYGTHBJFUKPH-UHFFFAOYSA-N 370.430 2.604 30 40 FFEB C=CCN1C(=O)S/C(=C\c2ccc(OCC(=O)O)c(OCC)c2)C1=O 5872460 CMMXTGQPMSAKBZ-ZROIWOOFSA-N 363.391 2.771 30 40 FFEB COc1ccc(OC)c(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)c1 25283095 CQYXUDLKEGYFRH-UHFFFAOYSA-N 366.421 2.826 30 40 FFEB N#Cc1cccc(NC(=O)COC(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 3225042 SVCHUEGVESWYAC-CMDGGOBGSA-N 351.318 2.662 30 40 FFEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)C(=O)NC1=S 13546231 LBZIHPYGVDXNMB-SFQUDFHCSA-N 365.458 2.907 30 40 FFEB Cc1ccc(S(=O)(=O)NN=C2C3CC4CC(C3)CC2C4)cc1[N+](=O)[O-] 5163561 TXFOXXYVNFKUDE-UHFFFAOYSA-N 363.439 2.994 30 40 FFEB CC(C)C(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl 5377332 KQTIDLDDQCRDPU-OVJMFRMASA-N 372.899 2.597 30 40 FFEB COc1ccccc1N=C[C@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408530291 DVMRSLVOJSGOKR-ZDUSSCGKSA-N 371.780 2.950 30 40 FFEB N#Cc1cc(N)ccc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 70462172 KLZBQCWHUYXWDR-UHFFFAOYSA-N 370.840 2.521 30 40 FFEB CC(C)(C)OC(=O)N1CCC[C@@H](S(=O)(=O)c2cccc(C#N)c2)C1 89212826 HTWOQLOVFJMCEU-OAHLLOKOSA-N 350.440 2.731 30 40 FFEB COC(=O)c1ccc(NC(=S)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 1085664 GUSACPBDMFNMLY-LICLKQGHSA-N 358.379 2.702 30 40 FFEB CN(CC(C)(C)C#N)c1cnn(-c2nc3ccccc3[nH]2)c(=O)c1Cl 590085212 LNXXCNOJTJOEMO-UHFFFAOYSA-N 356.817 2.748 30 40 FFEB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccc(C#N)cc2)o1 1347327 UTBDXPAGVJIFET-MRXNPFEDSA-N 353.403 2.784 30 40 FFEB CN(C)S(=O)(=O)c1ccc(-c2nc(C#N)c(N3CCCCCC3)o2)cc1 12421025 CTJOJZXLXSKLHV-UHFFFAOYSA-N 374.466 2.844 30 40 FFEB COc1ccccc1N(CCC#N)C(=O)CSc1nnc2ccccn12 3454701 VCADAWYTZIVSLV-UHFFFAOYSA-N 367.434 2.777 30 40 FFEB N#Cc1ccccc1OCC(=O)n1cc(C(=O)c2cc(F)ccc2O)cn1 14167186 MHEMGJJVPRVCRL-UHFFFAOYSA-N 365.320 2.550 30 40 FFEB CNC(=S)N/N=C/c1ccc(OCCOc2cccc(OC)c2)cc1 4549557 QJBFHJGXLOHIGG-DEDYPNTBSA-N 359.451 2.581 30 40 FFEB O=C(O)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1 5484039 UPQVDYBLATZHIX-GHNGSUTGSA-N 365.385 2.973 30 40 FFEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(OCC(N)=O)c3)S2)cc1 408533105 PTQHJNDEEMPBDT-YBEGLDIGSA-N 367.430 2.751 30 40 FFEB C=CCOc1cccc(/C=C2\C(=O)N(CCOC)C(C)=C2C(=O)OC)c1 408975848 OEUBGRJEUTVPCF-LGMDPLHJSA-N 357.406 2.570 30 40 FFEB COc1ccccc1N1CCO[C@@H]1c1cn(Cc2ccccc2C#N)nn1 216763273 UMGRDNAHJXHGAU-HXUWFJFHSA-N 361.405 2.742 30 40 FFEB COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3ccc(C#N)cc3)C2)c1 5030248 RVPOSFRNPHPZTD-SFHVURJKSA-N 351.362 2.707 30 40 FFEB CCOc1cc(/C=N/n2c(C)nnc2S)cc(Br)c1O 5547828 WMZACRZRIXRGCC-MKMNVTDBSA-N 357.233 2.624 30 40 FFEB O=[N+]([O-])c1ccc(O)c(/C=N/NS(=O)(=O)c2ccc3ccccc3c2)c1 2757527 PSWTZFGIVPALSC-WOJGMQOQSA-N 371.374 2.766 30 40 FFEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)c(OC)c1 804250 CJRDNIFOBWHYCU-KRWDZBQOSA-N 354.410 2.953 30 40 FFEB CS(=O)(=O)c1cccc(S(=O)(=O)/N=C(\O)CCC2CCCC2)c1 54487105 CBZFKPAQNGYGTK-UHFFFAOYSA-N 359.469 2.706 30 40 FFEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCSCC4)[C@H]3[C@@H]3O[C@@]132 61996975 CKYQAVNWWXHSSL-NJUPKOGBSA-N 351.512 2.561 30 40 FFEB biogenic C=CCN(C(=O)Cc1coc2cc(C)c(C)cc12)[C@@H]1CCS(=O)(=O)C1 58308649 CIXBSZWRQMIVBX-MRXNPFEDSA-N 361.463 2.794 30 40 FFEB CN(C)c1ccc([N+](=O)[O-])cc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408995897 BXVCHKSJSSGBPZ-CXUHLZMHSA-N 374.313 2.923 30 40 FFEB Cc1cc(C#N)cc(C)c1OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 72298264 USSUOGOESKTVQR-UHFFFAOYSA-N 369.446 2.842 30 40 FFEB C=CCN1C(=O)N/C(=C/c2ccc(-c3ccccc3C(=O)OC)o2)C1=O 409138119 YXHBEKVYBGGCOH-RVDMUPIBSA-N 352.346 2.812 30 40 FFEB CCOCCC(=O)N[C@H](C)C1CCN(c2nc(C#N)c(Cl)s2)CC1 1775990143 CRVBZNCQULJENK-LLVKDONJSA-N 370.906 2.816 30 40 FFEB O=C1N/C(=N/N=C/c2ccccc2)S[C@@H]1Cc1ccc([N+](=O)[O-])cc1 5772368 YUOFNYOLNISVKP-CLXYIWAZSA-N 354.391 2.759 30 40 FFEB O=C1CS/C(=N\S(=O)(=O)c2ccc(F)cc2)N1C1CCCCC1 13843462 XWVPSHCYMRVGQM-ICFOKQHNSA-N 356.444 2.779 30 40 FFEB CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1C#N 4575557 NKVKUZHSQOVLFP-UHFFFAOYSA-N 358.361 2.965 30 40 FFEB CC[C@@H](C)NC(=O)CSc1nc2cc3c(cc2cc1C#N)OCCO3 1355065 AKDBSEYAUWGDNA-LLVKDONJSA-N 357.435 2.884 30 40 FFEB Cc1ccc(S(=O)(=O)N2CCN(c3cccc(F)c3C#N)CC2)s1 8705776 HQTDJGWGZOCZSM-UHFFFAOYSA-N 365.455 2.578 30 40 FFEB C=CCc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(OCC)c1O 409365457 ZRSIEQJCOHJJOS-UHFFFAOYSA-N 365.389 2.817 30 40 FFEB N#Cc1ccc2nc(CO[C@H]3CN(Cc4cccnc4)C[C@H]3F)[nH]c2c1 96112287 WXGKALMJAMODGC-QAPCUYQASA-N 351.385 2.569 30 40 FFEB biogenic,in-vitro N#Cc1ccnc(OCC2CCN(C(=O)Cc3ccc(F)cc3)CC2)c1 1775995696 FFEYKLKXDZMPAK-UHFFFAOYSA-N 353.397 2.952 30 40 FFEB N#C[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 20358541 KGMZQFPVYSDMGT-XWSJACJDSA-N 359.360 2.865 30 40 FFEB N#Cc1ccc(OCCOC(=O)CC[S@](=O)c2ccccc2F)cc1 32935025 HWGSHAZBZWMWET-RUZDIDTESA-N 361.394 2.817 30 40 FFEB C#Cc1cccc(NC(=O)[C@@H]2CS[C@H](Cc3ccc(F)cc3)C(=O)N2)c1 25614142 ZLZTYTSIJXXPSL-ZWKOTPCHSA-N 368.433 2.588 30 40 FFEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 101300852 KPEQTZRZUOPQFM-BREGNPSQSA-N 372.899 2.742 30 40 FFEB Cc1ccc(/C(O)=N/S(=O)(=O)c2ccc3c(c2)OCCCO3)s1 42338866 AUUHJAKWCJPVBZ-UHFFFAOYSA-N 353.421 2.911 30 40 FFEB CCn1nnc2cc(C(=O)O[C@H](C)C(=O)Nc3cccc(C#N)c3)ccc21 5805115 VKMFYRVPMWAGSJ-GFCCVEGCSA-N 363.377 2.507 30 40 FFEB C[C@@H]1CCC[C@](C#N)(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)C1 96013465 UOTHHFFJLPENPT-QAPCUYQASA-N 358.467 2.682 30 40 FFEB N#Cc1ccc(Cn2nc3n(c2=O)C(=O)N(c2cccc(Cl)c2)C3)cc1 1547201002 GZWMALSMAJPPKT-UHFFFAOYSA-N 365.780 2.606 30 40 FFEB CCOC(=O)[C@@]1(C#N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218369970 ICDOBAHSDXGFIS-AOIWGVFYSA-N 373.405 2.838 30 40 FFEB CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C 36638708 YAIUEQOOISCNKR-ZFYPWPBMSA-N 366.508 2.643 30 40 FFEB C=CCNC(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 5849240 PTKNXEOCWMYUNV-UHFFFAOYSA-N 353.245 2.629 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccn1 13121670 QYFOEYSFSMODLM-KRWDZBQOSA-N 352.390 2.615 30 40 FFEB C=CCNC(=O)NC(=O)CSc1nc(C)nc2sc(C)c(C)c12 8490723 IPXRFRJKEIKFFG-UHFFFAOYSA-N 350.469 2.720 30 40 FFEB COC(=O)C1=C(C(=O)c2cccs2)[C@H](c2ccccc2)n2ncnc2N1 102420630 IFZNOGDLRRYZFL-HNNXBMFYSA-N 366.402 2.665 30 40 FFEB Cc1ccc(C#N)c(N(C)CCCOc2ccc(S(C)(=O)=O)cc2)n1 89626845 PKHQWGJGAWOVLC-UHFFFAOYSA-N 359.451 2.571 30 40 FFEB N#Cc1ccc(OC[C@@H](O)CSc2nncn2-c2ccccc2F)cc1 10193598 SONDVJCJMFUSEB-CQSZACIVSA-N 370.409 2.810 30 40 FFEB N#Cc1c(F)cccc1NCCNC(=O)c1cc(-c2cccnc2)on1 48236797 YFFJYBRQODXJBF-UHFFFAOYSA-N 351.341 2.589 30 40 FFEB CC[C@H]1CCc2nc(SCC(=O)N3CCC[C@@H]3C(=O)O)c(C#N)cc2C1 12858135 YPQJWJYQLXSLER-BLLLJJGKSA-N 373.478 2.636 30 40 FFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc4c(c3)OCO4)C2(C#N)C#N)cc1 218163777 ARCRRCFZVYYDQH-QZTJIDSGSA-N 366.398 2.697 30 40 FFEB N#CC1(NC(=O)COc2ccccc2I)CCCC1 31656668 WZZZQMQWSLOHEN-UHFFFAOYSA-N 370.190 2.623 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-] 8072808 AEUKLKJFHKTVSR-ZDUSSCGKSA-N 369.377 2.917 30 40 FFEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C)c1 6362212 BPCLFVAJBLXWJJ-UHFFFAOYSA-N 360.435 2.720 30 40 FFEB COC(=O)c1ccccc1S(=O)(=O)/N=C(\O)COc1cccc(C)c1 46928548 IDGRGVDDRGORPP-UHFFFAOYSA-N 363.391 2.506 30 40 FFEB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(C#N)cc1 3249210 URDGRKJZONPFBC-LLVKDONJSA-N 369.333 2.659 30 40 FFEB Cc1nnc(N2CCN(C(=O)C[C@H](C)c3ccccc3)CC2)c(C#N)c1C 57140800 ZGTMFSCJCHAYHX-HNNXBMFYSA-N 363.465 2.808 30 40 FFEB CCOc1cc(C(=O)O[C@@H](C)C#N)ccc1OCC(=O)N1CCCCC1 3496540 BDFPMCSHMRGTRT-AWEZNQCLSA-N 360.410 2.545 30 40 FFEB CC(=O)c1s/c(=N/N=C/c2cc(Br)ccc2O)[nH]c1C 6200933 IULZEORUFRMGIW-GIDUJCDVSA-N 354.229 2.990 30 40 FFEB O=S1(=O)N=C(N/N=C/c2cccc(Br)c2)c2ccccc21 4520379 ZEDQYQFLIBEOPA-CXUHLZMHSA-N 364.224 2.522 30 40 FFEB Cc1cccc(OCCN(C)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c1 16148539 MMVFOJOALVWGHA-UHFFFAOYSA-N 367.449 2.642 30 40 FFEB CCOc1ccc(-n2nc(C#N)c(N3CCN(c4ccccc4)CC3)n2)cc1 256045791 AZXHPBSFXRRYSR-UHFFFAOYSA-N 374.448 2.864 30 40 FFEB C=CCOc1ccc([C@H]2CC(=O)Nc3nc(SC)nc(O)c32)cc1OC 670416082 IJSJXONJNDVXDK-LLVKDONJSA-N 373.434 2.952 30 40 FFEB Cc1c(N/N=C(\C#N)C(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 817386 DMMKZFUBKVNEQY-OQKWZONESA-N 359.389 2.659 30 40 FFEB C=CCn1cc(CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)c(C)n1 12188187 BAGZUCYHWCCASZ-UHFFFAOYSA-N 355.438 2.590 30 40 FFEB Cc1nc2ccc(OCC3CCN(c4cccnc4C#N)CC3)nn2c1C 1888876260 XHNWQPUWZGRMBU-UHFFFAOYSA-N 362.437 2.908 30 40 FFEB COc1nccnc1N(C)CC1CCN(c2nc(C)cc(C)c2C#N)CC1 1889119400 MNUITLMQILUKRX-UHFFFAOYSA-N 366.469 2.722 30 40 FFEB COC(=O)C1=C(C(C)=O)[C@@H](c2ccc(C(C)(C)C)cc2)N2NN=NC2=N1 711576 RUQRACZDVJCADH-OAHLLOKOSA-N 355.398 2.598 30 40 FFEB CC1=C(C(=O)OCCC#N)[C@H](c2cccc(Br)c2)NC(=O)N1 4491543 UAGSHACZOMIVIG-ZDUSSCGKSA-N 364.199 2.534 30 40 FFEB CCN(CC)S(=O)(=O)c1ccc(N/N=C2\SC(=N)N=C2C)cc1 100846296 CJNMIXPUYWFGHA-QAVXEVKCSA-N 353.473 2.585 30 40 FFEB Cn1cc(S(=O)(=O)/N=C(\O)C(c2ccccc2)c2ccccc2)cn1 40153196 PHZHYJWKJCOKQG-UHFFFAOYSA-N 355.419 2.897 30 40 FFEB C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(C#N)cc1 11460654 ZHMBFRRLQMTUSV-GFCCVEGCSA-N 361.357 2.584 30 40 FFEB O=C1[C@H]2[C@H](C(=O)N1/N=C/c1cccc(Br)c1)[C@H]1C=C[C@H]2C12CC2 105423103 DFIHFGBEVIWCDN-LPDTVVLISA-N 371.234 2.980 30 40 FFEB CC1=C(C)/C(=N/OS(=O)(=O)c2ccccc2)C=C(Br)C1=O 12658772 WYXFDDQAUVBHBX-DTQAZKPQSA-N 370.224 2.946 30 40 FFEB COc1cc(C#N)ccc1OCC(=O)c1ccc(CCNC(C)=O)cc1 8335366 OXAWKOKIWPBFFT-UHFFFAOYSA-N 352.390 2.507 30 40 FFEB C=CCSc1ccccc1NC(=O)Cn1nnc2ccccc2c1=O 14158166 NNCLEZAPWDYLGW-UHFFFAOYSA-N 352.419 2.708 30 40 FFEB COc1ccc2nc(NCCCNC(=O)c3ccco3)c(C#N)cc2c1 35312434 NEDOVFBDOYHQLT-UHFFFAOYSA-N 350.378 2.940 30 40 FFEB COc1cccc(C2=NO[C@H](C(=O)Nc3ccc(C#N)cc3)C2)c1OC 5030071 QUHSSCUTKWOJCP-KRWDZBQOSA-N 351.362 2.707 30 40 FFEB Cc1nc(C(C)(C)C)nc(N2CCN(c3ccc(C#N)cn3)CC2)c1C 1888860449 HQGQYSZGQGKPPC-UHFFFAOYSA-N 350.470 2.984 30 40 FFEB CC(C)(C)c1cn2nc(N3CCN(c4ccc(C#N)cn4)CC3)ccc2n1 1888890136 WCNYXLXPTGCCBF-UHFFFAOYSA-N 361.453 2.620 30 40 FFEB Cc1ccc([C@H]2C3=C(Nc4[nH]c(N)nc(=O)c42)c2ccccc2C3=O)cc1 40382591 ZTPLQYDLTLOZBX-AWEZNQCLSA-N 356.385 2.826 30 40 FFEB C[C@@H]1CCCC[C@H]1OCCNC(=O)C1CCN(c2ccc(C#N)cn2)CC1 47188819 ZSHAFCVXZVZQPL-VQIMIIECSA-N 370.497 2.881 30 40 FFEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(Br)cc1 105644778 IZRILHKBMOEXNE-SWBGEZJRSA-N 359.223 2.980 30 40 FFEB N#Cc1ccc(COC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1 24127981 OLQSFAZNFOUAOL-UHFFFAOYSA-N 356.765 2.680 30 40 FFEB Cc1cc(OCC(=O)Nc2ccc(C#N)cc2)nc(N2CCC[C@@H](C)C2)n1 44168768 XVNZTADZZUNEIM-CQSZACIVSA-N 365.437 2.911 30 40 FFEB C#CCN(C(=O)/C=C/c1c(F)cccc1F)S(=O)(=O)c1ccccc1 57986037 WJMXSWZTAIELPC-VAWYXSNFSA-N 361.369 2.829 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccco1 13123929 WKNLNKFAHGYOLG-INIZCTEOSA-N 357.362 2.513 30 40 FFEB C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)CCC3)c1 15922755 ONYXRVOLPCHQMN-UHFFFAOYSA-N 356.447 2.892 30 40 FFEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccs1 19997153 UQPQGJHTQLYJMK-INIZCTEOSA-N 356.447 2.888 30 40 FFEB CCOC(=O)[C@]1(C#N)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 252515270 ICDOBAHSDXGFIS-YQVWRLOYSA-N 373.405 2.838 30 40 FFEB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3c2ncc(C#N)cc2Cl)nn1 1888843157 OUDFPCUFPRFKPB-YIONKMFJSA-N 358.833 2.717 30 40 FFEB CN(c1ccc(C#N)nc1)C1CN(c2ccc(-c3ccc(F)cc3)nn2)C1 1888897478 FEOCZKXAFBXDJQ-UHFFFAOYSA-N 360.396 2.874 30 40 FFEB C=CCO[C@@H]1CC2(CCN(C(=O)c3ncn(C)n3)CC2)c2cc(C)ccc21 1614948746 RUXJSBSSVRUQOV-GOSISDBHSA-N 366.465 2.945 30 40 FFEB COc1cc([C@H]2N[C@@H](C(=O)O)CS2)ccc1OCc1ccccc1C#N 4035358 DBBRVPMBYWUFIO-QAPCUYQASA-N 370.430 2.934 30 40 FFEB CNc1oc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)nc1C#N 12421218 LRJNAHFYCQPUAE-UHFFFAOYSA-N 360.439 2.676 30 40 FFEB C=CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1Cc1ccccc1 2440293 VYMPNDPAMWBLPZ-UHFFFAOYSA-N 372.428 2.922 30 40 FFEB COC(=O)[C@H]1CCCCN1CC(=O)/C=C1/N(C)c2ccccc2C1(C)C 102462289 OYUDVSPRBFEIOT-UIMCMNAESA-N 356.466 2.895 30 40 FFEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccccc1 102436625 KNUKLYIWUIQCIY-IBOXJLQUSA-N 356.447 2.731 30 40 FFEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1cccc(OC)c1 102718731 GANXUBSEJHHFSG-GROYHEBESA-N 371.389 2.746 30 40 FFEB N#Cc1ccc(OCC(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1 42661261 UYHRWDZRBGCMLJ-UHFFFAOYSA-N 350.378 2.860 30 40 FFEB C[C@@H](NC(=O)CSCC#N)c1cc2c(cc1Br)OCCO2 55784677 SODDNCRIKORUQJ-SECBINFHSA-N 371.256 2.654 30 40 FFEB C[C@@H](C(=O)N(CCC#N)c1ccccc1F)N1C(=O)c2ccccc2C1=O 3265607 VTHZSMKCLQOESU-ZDUSSCGKSA-N 365.364 2.757 30 40 FFEB CS(=O)(=O)N1CCCc2cc(C(=O)Nc3cccc(C#N)c3)ccc21 12766928 SITMYYNBOFNXDN-UHFFFAOYSA-N 355.419 2.523 30 40 FFEB CCN(CC(=O)NCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1C#N 5698998 HUUOBJFCXMFCGN-UHFFFAOYSA-N 356.357 2.748 30 40 FFEB N#C[C@H]1CC[C@@H](Nc2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)C1 591826566 SOBOBOZYMGYVHE-WDEREUQCSA-N 354.801 2.866 30 40 FFEB C=CCN1C(=O)N/C(=C/c2cc(Cl)c(O)c(Br)c2)C1=O 4680709 CWYSWYSNVQJYLI-UXBLZVDNSA-N 357.591 2.887 30 40 FFEB N#Cc1ccc(N2C[C@H]3CN(c4ncccc4C(F)(F)F)C[C@H]3C2)cn1 1888868573 JQEMGJCQOBGDNL-BETUJISGSA-N 359.355 2.940 30 40 FFEB N#Cc1ccc(N2C[C@H]3CCN(C(=O)c4ccc(F)cc4F)[C@H]3C2)nc1 1889136294 YCNOCPKPCURZNS-DYVFJYSZSA-N 354.360 2.582 30 40 FFEB N#Cc1ccc(N2C[C@@H]3CCN(C(=O)Cc4ccc(F)cc4F)[C@H]3C2)nc1 1889139464 CCQGVNAXVGRKIK-YJBOKZPZSA-N 368.387 2.511 30 40 FFEB CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 847046 XAKNGHUXWZKUJR-MRXNPFEDSA-N 354.318 2.789 30 40 FFEB C[C@H]1C[C@H]2[C@@H]3CC[C@]4(OCC4=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 118936687 DASNFNKDVQBNIO-ZFBRXEBUSA-N 356.462 2.849 30 40 FFEB C[C@@H](C#N)OC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 3337477 IVRHUWIWIPPKKU-NSHDSACASA-N 356.831 2.583 30 40 FFEB C[C@H](C(=O)Nc1ccccc1C#N)N1C(=O)NC2(CCCCCC2)C1=O 8343275 WETYRGITIKZYQT-CYBMUJFWSA-N 354.410 2.530 30 40 FFEB Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccnc2)s1 13733021 STORUOVCRAHZTP-ZDUSSCGKSA-N 368.374 2.617 30 40 FFEB COc1cc(OC)c(/C=N/n2c(C)nnc2S)cc1Br 408852520 GYBNJEXUBHSLBR-MKMNVTDBSA-N 357.233 2.537 30 40 FFEB CC1(C)CC(=O)C2=C(C1)Nc1c(C(N)=O)cnn1[C@H]2c1ccccc1F 49547119 UGEXQXABFMMENB-INIZCTEOSA-N 354.385 2.779 30 40 FFEB CC(=O)Nc1ccccc1CC(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 1776007482 FWDQGYLFTJXXJU-MRXNPFEDSA-N 372.274 2.882 30 40 FFEB CC[C@@]1(C#CCN2C(=O)c3ccccc3C2=O)C=CC2(CC1)OCCO2 5105724 GJVQYKKOPWDBSO-HXUWFJFHSA-N 351.402 2.776 30 40 FFEB Cc1cc(C(F)(F)F)nn1C/C(N)=N/OC(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2 101577115 NZAMPRBTRXBOGM-IJLUTSLNSA-N 358.364 2.852 30 40 FFEB O=C(O)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1F 102869429 RGRAKIIAMYJXFU-HVESIFNPSA-N 369.348 2.722 30 40 FFEB CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)c1 103632588 JLPCEIGXKIQVGX-RJAPAOOCSA-N 373.478 2.650 30 40 FFEB COc1cc(OC)c([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CCC3)cc1OC 1429555 SEHBYCFCLQETAD-CYBMUJFWSA-N 374.437 2.512 30 40 FFEB COc1cccc(N(CCC#N)S(=O)(=O)c2cccc(C(=O)O)c2)c1 8429632 MARVOFVQKKGYCK-UHFFFAOYSA-N 360.391 2.502 30 40 FFEB C=CCNC(=O)NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 6904892 VXOOSHVFAZIKHW-UHFFFAOYSA-N 372.808 2.962 30 40 FFEB N#Cc1cnc2ccccc2c1N1CCN(C(=O)CC[C@@H]2CCOC2)CC1 176979196 IQWMTZIHRFZIMZ-MRXNPFEDSA-N 364.449 2.572 30 40 FFEB COc1cccc(NC(=O)COc2nc3c(cc2C#N)COC(C)(C)C3)c1 32089756 BZEOOOQTGBKXCF-UHFFFAOYSA-N 367.405 2.831 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccc(O)cc2)cc1OC 5408719 NYVHCEPZFQQZTI-QGZVFWFLSA-N 369.373 2.618 30 40 FFEB C=CCN(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)CC)c1ccccn1 4858870 MJWJRLAQHVHZIT-HNNXBMFYSA-N 373.482 2.607 30 40 FFEB CCN1C(=O)/C(=C/c2ccco2)S/C1=N/S(=O)(=O)c1ccccc1 100895770 VHKGHKVHSSBGKX-UGCQAGLLSA-N 362.432 2.961 30 40 FFEB C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C)c(F)c2)cc1 12489085 LDTAQINHFOWKJW-UHFFFAOYSA-N 362.426 2.528 30 40 FFEB COC(=O)c1ccc(/C=N/OCC(=O)NCCc2ccc(Cl)cc2)cc1 3573627 QXWDFTUMQLOTNO-WSDLNYQXSA-N 374.824 2.836 30 40 FFEB Cc1cccn2c(=O)c3cc(C#N)c(=O)n(-c4ccccc4Cl)c3nc12 6809441 RULGHBXNHXOFKG-UHFFFAOYSA-N 362.776 2.832 30 40 FFEB C=C(C)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 9061325 AXQFWLLISVKKMG-KGLIPLIRSA-N 356.900 2.991 30 40 FFEB C=CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccccc1O 9235634 IQGQEFUVDWKLDG-UHFFFAOYSA-N 358.467 2.941 30 40 FFEB COc1cc2c(cc1OC)[C@H](N/C=C1/C(=O)Oc3ccccc3C1=O)CC2 1547200818 IQEKDTGCUCWTJZ-RBFDBLARSA-N 365.385 2.967 30 40 FFEB COc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](C)CN(C)c2ccccc21 185669390 HZZRHIKDHRCTFJ-CQSZACIVSA-N 371.462 2.848 30 40 FFEB Cc1cc(N2CC[C@]3(NC(=O)c4cncs4)CCC[C@H]23)c(C#N)cn1 1615610533 DKQWCWHJCCWRTB-FUHWJXTLSA-N 353.451 2.650 30 40 FFEB Cc1ccccc1SCC(=O)N1CCN(c2cc(C#N)ccn2)CC1 31078337 RQPCMLDELWNPFY-UHFFFAOYSA-N 352.463 2.703 30 40 FFEB CC(=O)NC1=C(NCCc2c[nH]c3ccccc23)C(=O)c2ccccc2C1=O 12364253 UVDHGPXSMUJCFZ-UHFFFAOYSA-N 373.412 2.727 30 40 FFEB biogenic,in-vitro C/N=C1\S[C@@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)C(=O)N1C 7883701 NYDGSEQICGSDIS-JTFSYWPOSA-N 355.847 2.545 30 40 FFEB N#CCSCC(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 55833752 PFUDVUOEHRFYFV-UHFFFAOYSA-N 357.410 2.951 30 40 FFEB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CNCc1cccnc1 12659902 VQWYYIOVDKGSML-WHHPXKAQSA-N 356.466 2.698 30 40 FFEB biogenic COC[C@@H](C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2206564 RQUZPFIJXVFSRY-HUUCEWRRSA-N 368.437 2.805 30 40 FFEB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1ccccc1C#N 12823544 SMVKGNHFOFCPSZ-HNNXBMFYSA-N 362.433 2.754 30 40 FFEB CCCCN(C)C(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 5238223 LJJSQINPTZWVOA-UHFFFAOYSA-N 356.451 2.659 30 40 FFEB N#C[C@H](c1ccccc1)N1CCN(C(=O)COc2ccc(F)cc2)CC1 14157646 HCXAPWVZGRTZTO-LJQANCHMSA-N 353.397 2.614 30 40 FFEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)COc1ccc(C=O)cc1 6566706 IJGPGBJDJIZYLU-UHFFFAOYSA-N 372.764 2.585 30 40 FFEB Cc1cc(OC(=O)N2CCOCC2)cc2c1C(=O)/C(=C/c1cccnc1)O2 6662637 ZSNYPGVETONUDD-YVLHZVERSA-N 366.373 2.837 30 40 FFEB N#Cc1ccc(C(F)(F)F)nc1N1CCN(c2cc(Cl)ncn2)CC1 95467569 MCJRMSUJOBUMAW-UHFFFAOYSA-N 368.750 2.742 30 40 FFEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(N2CCCCC2)cc1F 409410178 ZZBSEZKKILRGJV-KODHJQJWSA-N 367.424 2.957 30 40 FFEB CCCCCCCCNC(=O)C(=O)NCCc1ccc(OC)c(OC)c1 408709521 CIEPFMYBEKRWHL-UHFFFAOYSA-N 364.486 2.839 30 40 FFEB COc1ccc(-n2nc(C)cc2N/C(C)=C2\C(=O)C=C(C)OC2=O)cc1 227173579 LVISEWVTFKAXQJ-QGOAFFKASA-N 353.378 2.905 30 40 FFEB N#Cc1cccc(N2CCOC[C@]3(CCCN(Cc4ccco4)C3)C2)n1 96229098 BOCIDTCDNXPWAP-FQEVSTJZSA-N 352.438 2.665 30 40 FFEB N#Cc1cc(F)c(N2CCC(c3nnc(O)o3)CC2)cc1Br 594582821 DEYPHLGBGCQIQL-UHFFFAOYSA-N 367.178 2.932 30 40 FFEB N#CC1(C(=O)N2CCC3(CC2)C[C@@H](Nc2ncccn2)CCO3)CCCC1 1565545762 OEXOYRXARJCHFS-INIZCTEOSA-N 369.469 2.513 30 40 FFEB COc1ccc(C2=NOC(=O)/C2=C\c2cccc([N+](=O)[O-])c2O)cc1OC 100245477 AHKXUFFQFOXIMN-WQLSENKSSA-N 370.317 2.662 30 40 FFEB biogenic,in-vitro CC(C)CCC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 22959363 UZVLWLYZZIHTMB-OAHLLOKOSA-N 365.499 2.510 30 40 FFEB N#Cc1ccccc1N1CCN(C(=O)[C@@H]2CCN(C3CCCCC3)C2)CC1 178179617 BNYVAINOOVCOMR-LJQANCHMSA-N 366.509 2.861 30 40 FFEB N#Cc1cccc(COC(=O)CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 24966019 GILCBHWZVKFNGV-UHFFFAOYSA-N 373.752 2.593 30 40 FFEB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(c2ccc(C#N)cn2)CC1 12733371 YBEZSZCBJNJLMK-GOSISDBHSA-N 370.840 2.643 30 40 FFEB Cc1cc(C)n2c(S[C@@H](C)C(=O)NC3(C#N)CCCCC3)nnc2n1 3415864 OKUWEXAWYKAYPB-ZDUSSCGKSA-N 358.471 2.564 30 40 FFEB COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(N)=O 409219138 JHWUYTFQCATHFO-UFWORHAWSA-N 363.757 2.872 30 40 FFEB CCOc1cc(Br)c(Cn2cnc(C#N)n2)cc1OCC 14144073 CMTTWBXOAHJSEV-UHFFFAOYSA-N 351.204 2.758 30 40 FFEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nncs1 4816355 VCHLVMPMSWZQCE-UHFFFAOYSA-N 372.479 2.637 30 40 FFEB CC(C)CN1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)C1 96215300 HNMWBMPCANCSQQ-LJQANCHMSA-N 361.511 2.691 30 40 FFEB C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CS/C1=C/C(=O)C(C)(C)C 254721014 JCIRXHGMDKZXCS-SSTXIFODSA-N 352.500 2.713 30 40 FFEB COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C/c1cc([N+](=O)[O-])ccc1O 3123351 QUQDBYWTZWYTHD-RYFGYPJOSA-N 367.361 2.985 30 40 FFEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCO)[C@H]2c2ccccc2)cc1 104077536 DELUQZGUKFWIAY-GHNGSUTGSA-N 351.402 2.799 30 40 FFEB COC(=O)[C@H](c1ccccc1Cl)N1CC[C@@H](S)/C(=C\C(=O)O)C1 100058493 CWUDNVCEAAXNQA-VLODSAPTSA-N 355.843 2.569 30 40 FFEB in-vitro C=CCN1CCN([C@H](c2ccc(Cl)cc2)c2nnnn2C(C)(C)C)CC1 20139399 BJFMWMKWBAVFGF-QGZVFWFLSA-N 374.920 2.975 30 40 FFEB CCCCN1C(=O)C[C@H](/C(O)=N/c2ncn[nH]2)[C@@H]1c1ccc(OC)cc1 23140861 JWMIFMMZCYSSAP-HOCLYGCPSA-N 357.414 2.791 30 40 FFEB N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CCOc4ccccc43)CC2)nc1 12754116 QVNLWADLCHABPZ-GOSISDBHSA-N 362.433 2.810 30 40 FFEB CCN(CC#N)S(=O)(=O)c1ccc(-c2ccc(NC(C)=O)cc2)cc1 48302105 IRDXQPJPUWHVHI-UHFFFAOYSA-N 357.435 2.846 30 40 FFEB CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)N1CCc2ccccc21 5403798 WPKUGSRAZNZWBI-ZDLGFXPLSA-N 358.463 2.608 30 40 FFEB C=CCNC(=O)[C@@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N 7171001 MZVVRGABZVSNJV-GFCCVEGCSA-N 359.499 2.739 30 40 FFEB C=CCN1C(=O)N/C(=C/c2cc(Br)cc(OCC)c2O)C1=O 409148611 YULUURYCFOGIBN-YRNVUSSQSA-N 367.199 2.632 30 40 FFEB C=CCN1CCN(S(=O)(=O)c2nc(C)sc2-c2ccccc2)CC1 585152396 ZEAMFRXAQKPZBE-UHFFFAOYSA-N 363.508 2.611 30 40 FFEB CN(CCC(=O)Nc1sccc1C#N)C[C@@H]1COc2ccccc2O1 31183524 LWYBQGPNOROVKQ-CQSZACIVSA-N 357.435 2.720 30 40 FFEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(O)c1)c1ccco1 795082 JVRPUWHQGRCGHT-YOEHRIQHSA-N 369.373 2.743 30 40 FFEB CCO/C(O)=N/c1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)s1 32891729 WPQQINHGEMCNMW-VHSXEESVSA-N 358.489 2.907 30 40 FFEB COc1ccc(S(=O)(=O)/N=C(\O)c2sccc2C)cc1NC(C)=O 46930135 ARORTTBVISGZCI-UHFFFAOYSA-N 368.436 2.717 30 40 FFEB CC(C)n1nnnc1S[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 16453741 KONNONMYDXICST-SECBINFHSA-N 350.835 2.898 30 40 FFEB C#CCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2CC)C1=O 408874006 YMJDVBMKWWSYPW-VKAVYKQESA-N 374.396 2.927 30 40 FFEB N#CCOc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1Cl 409353668 PHXDHXBOIRPQDA-UHFFFAOYSA-N 354.753 2.540 30 40 FFEB CS/C(=N\N=C(/C)c1ccccn1)N1CCN(c2ccccn2)CC1 31959795 BPWYMNLLHXKAAT-AAYKTNCRSA-N 354.483 2.742 30 40 FFEB C=CCNC(=O)[C@H](C)Oc1nn(-c2ccccc2)cc1Br 227159086 IENBEJYIRXNHEJ-NSHDSACASA-N 350.216 2.704 30 40 FFEB CCn1nnc2cc(C(=O)[C@H](C#N)C(=O)N[C@H](C)c3ccccc3)ccc21 103503752 WVWLDSPQOIJBGZ-CJNGLKHVSA-N 361.405 2.651 30 40 FFEB COc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)c1OC 804243 QUJXNAFKMXNNIF-INIZCTEOSA-N 354.410 2.953 30 40 FFEB COc1ccc(/C=N/n2cncn2)cc1COc1ccc(NC(C)=O)cc1 2267337 VYLGMWCRBKYULH-UFFVCSGVSA-N 365.393 2.706 30 40 FFEB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](c1ccc(C#N)cc1)CC(O)=N2 71279895 BKQWIWLVVJJENO-GJZGRUSLSA-N 370.434 2.546 30 40 FFEB CCCCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(C)o1)C1=C(CCCC1=O)N2 6940117 ODBCVIXLUVZNAN-MRXNPFEDSA-N 369.421 2.803 30 40 FFEB O=C(Cn1cc(/C=N/Nc2ccccc2)c2ccccc21)N1CCOCC1 408962771 USMFLKCZNYLYNB-HYARGMPZSA-N 362.433 2.946 30 40 FFEB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1/C=N/c1ccc(O)cc1 408740081 DCGSDOIRZUHIGU-FRSZACSASA-N 373.821 2.812 30 40 FFEB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(C#N)COC 225642814 HBYFUTQLFZHCFK-MGPQQGTHSA-N 358.257 2.506 30 40 FFEB CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccsc2)cc1 40134713 FNSJAMMXLRSCTK-SDXDJHTJSA-N 363.464 2.813 30 40 FFEB C#CCN(C)Cc1nc(C2(O)CCN(Cc3ccccc3)CC2)cs1 225469430 XRMUAFSHROVKTI-UHFFFAOYSA-N 355.507 2.692 30 40 FFEB biogenic,in-vitro Cc1cc(C)n(-c2cc(SCC(=O)Nc3ccc(C#N)cc3)ncn2)n1 49404121 PNZKQHFRUUIHAB-UHFFFAOYSA-N 364.434 2.882 30 40 FFEB O=C(O)COc1ccccc1C=Nn1c(S)nnc1C1CCCCC1 245242120 ZPAMCJBQBJYJMO-UHFFFAOYSA-N 360.439 2.960 30 40 FFEB O=C(Cc1c[nH]c2ccccc12)NCC#CCOc1ccc2c(c1)OCO2 90730685 CTEZOPUDAVUJAI-UHFFFAOYSA-N 362.385 2.638 30 40 FFEB COC(=O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 5445559 JLHJSHZUCOTQDD-QGZVFWFLSA-N 369.348 2.577 30 40 FFEB C[C@@H]1CC(=O)C2=C(O1)O[C@@]1(C)[C@@H](C2)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@H]2C[C@H]1O 514288082 NJXOESIYMRITAI-SNRGXGIQSA-N 364.482 2.939 30 40 FFEB biogenic,in-vitro N#Cc1cnc(N2CCN(c3cccc(-n4ccnc4)n3)CC2)c(Cl)c1 2298070638 PCFUMUBGYWVGJU-UHFFFAOYSA-N 365.828 2.514 30 40 FFEB CC(=O)N1CCN(c2nc(-c3ccco3)c3c(c2C#N)CCCC3)CC1 20573625 MNYGTDALHJCZOD-UHFFFAOYSA-N 350.422 2.761 30 40 FFEB C=CCOC[C@@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22805119 XDUOKOAQPWWUIC-QFIPXVFZSA-N 366.505 2.957 30 40 FFEB COCc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)ccc1OC 647780 VPKACTHZECXLON-LJQANCHMSA-N 371.433 2.983 30 40 FFEB CCS(=O)(=O)c1ccccc1NC(=O)COc1ccc(CC#N)cc1 58166057 RDQYMHMOJKFSMD-UHFFFAOYSA-N 358.419 2.564 30 40 FFEB O=S(=O)(O)c1ccc(N/N=C/c2c(Cl)nc3ccccn23)cc1 5824755 MPHUDPHFQXNDCZ-CXUHLZMHSA-N 350.787 2.680 30 40 FFEB N#Cc1cc(N2CCCN(c3nnc(C(F)(F)F)s3)CC2)ccn1 329212728 IFFJHEPNEBSPTJ-UHFFFAOYSA-N 354.361 2.540 30 40 FFEB O=C(Cn1ccc2ccccc21)NCC#CCOc1ccc2c(c1)OCO2 90730646 PIJHSFWCMJYVHF-UHFFFAOYSA-N 362.385 2.569 30 40 FFEB COC(=O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 5445575 SUXICDVSLJNVOW-KRWDZBQOSA-N 369.348 2.577 30 40 FFEB N#Cc1cc(N2C[C@H]3CN(c4ncccc4C(F)(F)F)C[C@@H]3C2)ccn1 1888868545 AORLHCSTSIUJLH-STQMWFEESA-N 359.355 2.940 30 40 FFEB C=CCN1CCO[C@@H]2CN(C(=O)c3cccc(OC(C)C)c3)CC[C@H]2C1 1565550766 FASDWJALOOEXSJ-AZUAARDMSA-N 358.482 2.823 30 40 FFEB Cc1ccc([C@H]2C3=C(Nc4[nH]c(=O)[nH]c(=O)c42)c2ccccc2C3=O)cc1C 18201174 VCHMRISGIZHYJM-HNNXBMFYSA-N 371.396 2.845 30 40 FFEB O=S1(=O)N=C(N2CCC(/C(O)=N/C3CCCC3)CC2)c2ccccc21 6581734 NQLOINOQSHXNMJ-UHFFFAOYSA-N 361.467 2.747 30 40 FFEB O=S(=O)(/N=C(\O)C1(c2cccc(F)c2)CCOCC1)c1cccnc1 66002892 QTQKUXKXFFFTBX-UHFFFAOYSA-N 364.398 2.614 30 40 FFEB COc1cccc(/C=N/Nc2nnnn2-c2cccc3ccccc23)c1O 4481168 BUKWSIFDARQZSH-UDWIEESQSA-N 360.377 2.976 30 40 FFEB Cc1nnccc1N=C(O)CN1C(=O)[C@]2(C[C@@H](C)CC(C)(C)C2)N=C1O 329246269 AQBLPQDFNYPZKQ-BBATYDOGSA-N 359.430 2.714 30 40 FFEB COc1ccc(CN2CC[C@]3(C[C@H](Nc4cccc(C#N)n4)CO3)C2)cc1 96047676 HQHRUAGYZLHBFA-RXVVDRJESA-N 364.449 2.807 30 40 FFEB C#CCCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)C1CCOCC1)C2 1775990978 IQZGZHXLXYSNEF-FNLKRUPLSA-N 374.525 2.883 30 40 FFEB O=[N+]([O-])c1cccc(/C=N\N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1 17024588 IFTWQJAYGSICME-ZCWPUFOUSA-N 359.407 2.622 30 40 FFEB C=CCC1(CC=C)CCN1C(=O)c1cnc(N2CCOCC2)nc1CC 19521523 HJJZXURXTOEIGJ-UHFFFAOYSA-N 356.470 2.613 30 40 FFEB COc1ccc(NS(=O)(=O)c2ccc(/N=C\c3ccco3)cc2)nn1 4795171 GZLBNBKSYGJKLI-BOPFTXTBSA-N 358.379 2.630 30 40 FFEB CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 847049 LKPMFOLFVGUQPA-INIZCTEOSA-N 354.318 2.789 30 40 FFEB N#CCCN(C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccccc1 10422965 ZIVLRDGZXBEILA-UHFFFAOYSA-N 366.352 2.589 30 40 FFEB C=CCNC(=O)[C@@H](C)OC(=O)c1cc(OCC)c(OCC)c(OCC)c1 39522804 IGCCEHBJENUYJC-CYBMUJFWSA-N 365.426 2.730 30 40 FFEB N#CCCNC(=O)CSc1nc(-c2ccc(Br)cc2)c[nH]1 6589813 VRKCWSVQEJSWMJ-UHFFFAOYSA-N 365.256 2.961 30 40 FFEB C#CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1 408935894 IRLZHMVYJSFFDO-AQTBWJFISA-N 360.369 2.673 30 40 FFEB COC(=O)c1ccc(/C=N/O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 20858429 CPFLEFQQABDLOY-MKFNJMOCSA-N 371.349 2.759 30 40 FFEB N#Cc1nccnc1O[C@@H]1CCN(C(=O)CCc2cccc(Cl)c2)C1 225802589 TXFYILJREJDKKQ-OAHLLOKOSA-N 356.813 2.614 30 40 FFEB CN1C(=O)N(c2ccccc2)[C@H](/[N+]([O-])=C/c2ccc3nonc3c2)C1(C)C 2425833 OGEHXVNDVJTEML-QWUOEIFBSA-N 365.393 2.829 30 40 FFEB C=CCOc1ccc(-c2nc3s/c(=C/c4ccco4)c(=O)n3n2)cc1 33599174 IHIGLLRGSDIIJJ-RVDMUPIBSA-N 351.387 2.524 30 40 FFEB N#C[C@@H](C(=O)c1ccc(COc2ccc(F)cc2)o1)C(=O)N1CCCC1 103502717 NRNVFYFFKYMIBW-INIZCTEOSA-N 356.353 2.943 30 40 FFEB C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2C(=O)CCC)cc1 56352980 TXKOBBVAJPZOCY-MRXNPFEDSA-N 358.442 2.724 30 40 FFEB CCOCCC/N=C(/NCCCCOC)NCc1ccc(OC)cc1 58304751 OXULSAPGYCNSSY-UHFFFAOYSA-N 351.491 2.584 30 40 FFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCSCc1ccccc1 14247115 TZUJUENNLWTORF-UHFFFAOYSA-N 369.490 2.846 30 40 FFEB COc1ccccc1-n1cnnc1SCC(=O)Nc1ccccc1C#N 6534790 VBYADAIVDVQVRC-UHFFFAOYSA-N 365.418 2.878 30 40 FFEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccc(Br)o2)n1 6606040 KMKXACORNQJRCO-QMMMGPOBSA-N 369.196 2.840 30 40 FFEB CCOC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2)NC(=O)N1 8718049 MALJCOXVROXLCD-MRXNPFEDSA-N 350.374 2.741 30 40 FFEB C=CCNC(=O)NC(=O)CSc1ncc(C(F)(F)F)cc1Cl 7778374 RASXIQDSZNAICN-UHFFFAOYSA-N 353.753 2.858 30 40 FFEB C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)CS/C1=C\C(=O)C(C)(C)C 28915608 JCIRXHGMDKZXCS-JZPXEFJASA-N 352.500 2.713 30 40 FFEB Cc1cc(C(=O)N2CCC(C(O)=Nc3ccc(Cl)cn3)CC2)cnn1 329859766 OZWWITSGUUGGAB-UHFFFAOYSA-N 359.817 2.974 30 40 FFEB C=C1C[C@@H]2OC(=O)C(=C)[C@@H]2[C@@H](OC(=O)/C(C)=C/C)C[C@@]2(C)OC1=CC2=O 252504440 BITFKDUCQOBZDL-WSWLRPAKSA-N 358.390 2.554 30 40 FFEB biogenic,in-vitro CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1 13570764 XGUOTXZSMMTLDT-MRXNPFEDSA-N 356.447 2.888 30 40 FFEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(Br)cc1)[C@@H]1C=C[C@@H]2C12CC2 100562852 QMTDZAVNWVAJSX-HPJRRFGBSA-N 371.234 2.980 30 40 FFEB CCN1C(=O)[C@H](CC(=O)O)S/C1=N\N=C(/C)c1ccc(Cl)cc1 59474383 QUJAGPDJCDUXIH-BKEHMHCXSA-N 353.831 2.859 30 40 FFEB Cc1sc(NC(=O)CN(C)S(=O)(=O)c2cccs2)c(C#N)c1C 23244880 JKVIUCPLPPGSTB-UHFFFAOYSA-N 369.493 2.557 30 40 FFEB C=CCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccccc1 10324828 DHLKZAJMZQDVGU-CQSZACIVSA-N 356.447 2.742 30 40 FFEB CN1CCCN(c2oc(-c3ccc(Br)o3)nc2C#N)CC1 61997232 NEEGNUOERIXMHJ-UHFFFAOYSA-N 351.204 2.711 30 40 FFEB N#Cc1ccc(C(=O)NC2CCC(NC(=O)c3ccc(C#N)cc3)CC2)cc1 3258752 BDUBAVJSVNDCCE-UHFFFAOYSA-N 372.428 2.901 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccnc1 4537379 WWVHPCHTFOSCHW-SFHVURJKSA-N 366.417 2.923 30 40 FFEB CCN([C@@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cccc(C#N)c1 7218985 LLBKHXPIILZKNN-HNNXBMFYSA-N 371.462 2.905 30 40 FFEB N#Cc1c2n(c(=O)n(Cc3ccccc3Oc3ccccc3)c1=O)CCC2 7861696 SZDLNEYEWMATAZ-UHFFFAOYSA-N 359.385 2.668 30 40 FFEB COc1ccc(CCN2CC(=O)C(c3nc4ccc(C)cc4[nH]3)=C2N)cc1 19820081 ZUHYYSDFWTVFIL-UHFFFAOYSA-N 362.433 2.635 30 40 FFEB CN(C)CCN(CC(=O)OC(C)(C)C)c1nc(C(F)(F)F)ccc1C#N 95460534 XPDMBVDOAPKKNS-UHFFFAOYSA-N 372.391 2.682 30 40 FFEB CCOc1c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(Cl)cc1OC 409402427 FEIWPQSVALPKSQ-KUDNYVPYSA-N 374.824 2.888 30 40 FFEB N#C[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218055734 RSPDIOUVWQPMMV-ZOBUZTSGSA-N 361.806 2.874 30 40 FFEB Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1CCOCCC#N 583037612 LILAVZBRXBDLSX-IBGZPJMESA-N 372.444 2.932 30 40 FFEB COC(=O)c1cc(S(=O)(=O)Nc2ccc(CC#N)cc2)ccc1Cl 156748030 XNBONCJLNOAANH-UHFFFAOYSA-N 364.810 2.993 30 40 FFEB Cc1cc(N2C[C@@H]3CN(c4nc5c(cc4C#N)CCCC5)C[C@H]3C2)ncn1 585615022 USJCUCJUHKDXRF-QZTJIDSGSA-N 360.465 2.503 30 40 FFEB COC(=O)c1cc(C#N)c(=O)n(Cc2ncc(-c3ccc(Cl)cc3)o2)c1 25964378 HPNABTSNUZVKHD-UHFFFAOYSA-N 369.764 2.863 30 40 FFEB CN(C)C(=O)COc1cccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 58175259 YYDCHVCROWEHLP-ZHACJKMWSA-N 354.362 2.958 30 40 FFEB N#Cc1ccc(OC[C@H](O)CSc2nncn2-c2ccccc2F)cc1 10193599 SONDVJCJMFUSEB-AWEZNQCLSA-N 370.409 2.810 30 40 FFEB N#CCN1CCC2(CC1)C[C@@H](C(=O)NCc1cccnc1)c1ccccc12 96079356 DIVHVQSGZZBOBJ-LJQANCHMSA-N 360.461 2.742 30 40 FFEB CO[C@H]1CCC[C@H]1CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 579743875 MZTRYKAOLPQPSD-LPHOPBHVSA-N 359.445 2.845 30 40 FFEB COc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1C(=O)O 100287191 LKKMSJYNIXFONK-CIAFOILYSA-N 365.389 2.942 30 40 FFEB N#Cc1cccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 33047813 ZOJYOQPNXYNGLX-QGZVFWFLSA-N 359.451 2.657 30 40 FFEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc(Br)cc2F)C(=O)O1 23479670 PJMSHMXUSVCASR-LYKUJDHUSA-N 353.143 2.816 30 40 FFEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccnc1)c1cccs1 1413265 SEAZCJBPBKSKAM-CJNGLKHVSA-N 370.430 2.900 30 40 FFEB C=CCNC(=O)C(=O)c1cccn1-c1c(C(=O)OC)sc2ccccc12 4060796 LWYRIKRYGOVGLX-UHFFFAOYSA-N 368.414 2.964 30 40 FFEB c1cc(OC[C@@H]2CO2)cc(-c2nnc(-c3cccc(OC[C@H]4CO4)c3)o2)c1 13509946 IQCCNCOQRRJSTE-HDICACEKSA-N 366.373 2.959 30 40 FFEB CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1ccc(OC)cc1 6055622 GBZIZHARXUVYGW-UHFFFAOYSA-N 360.391 2.744 30 40 FFEB COCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccco1 6238820 YQVSLRCZDASUFW-QGZVFWFLSA-N 371.389 2.903 30 40 FFEB C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 5895837 CMRYWMLIVBZXLP-MHWRWJLKSA-N 353.787 2.951 30 40 FFEB COc1ccccc1CC(=O)N[C@](C)(C#N)COc1ccc(F)c(F)c1 79071922 MUQFKQVXEUIDCN-LJQANCHMSA-N 360.360 2.993 30 40 FFEB CCN1CCN([C@H](C)CNc2oc(-c3ccccc3C)nc2C#N)CC1 72238490 ZMVIUDLZSYXWFJ-MRXNPFEDSA-N 353.470 2.960 30 40 FFEB CCOc1ccc(S(=O)(=O)N[C@@](C)(C#N)CC)cc1Br 95439302 LNJMOXWKIGKMBC-CYBMUJFWSA-N 361.261 2.818 30 40 FFEB O=C1Oc2ccccc2C(=O)/C1=C/NC[C@H](c1ccco1)N1CCCC1 1547200763 DICMHNYLEYZGPL-RTYFKUQISA-N 352.390 2.692 30 40 FFEB N#Cc1cc(=NCc2ccc(Cl)cc2I)[nH]cn1 576780558 ZEALCUNEFIXAAZ-UHFFFAOYSA-N 370.581 2.640 30 40 FFEB CC[C@@]1(c2ccccc2)C(=O)N(C)C(=O)N(Cc2cccc(C#N)c2)C1=O 55104346 VWCISUIQKIQDHX-OAQYLSRUSA-N 361.401 2.827 30 40 FFEB C#CCN1CCC[C@@](C[C@@H]2CC(c3cccc(F)c3)=NO2)(C(=O)OCC)C1 19529987 CVZQEJBBLMDDOH-RXVVDRJESA-N 372.440 2.987 30 40 FFEB CCCCCCCCc1nnc(NC(=O)[C@@H]2CCS(=O)(=O)C2)s1 102937445 AHVLLLVGYNWDDZ-GFCCVEGCSA-N 359.517 2.814 30 40 FFEB C=CCN1C(=O)S/C(=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])C1=O 409073301 GTXCZZFOUPAQQD-NTUHNPAUSA-N 350.352 2.834 30 40 FFEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)ccc1C 5490253 NKQUDKCPKGZFEQ-WTIYMYMHSA-N 366.508 2.705 30 40 FFEB N#CCCCOC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 9322623 BIVNKJVJDNQIBA-UHFFFAOYSA-N 369.402 2.708 30 40 FFEB O=C(O)COc1cccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c1 409070181 NHJFDNJMIKRBQC-UHFFFAOYSA-N 367.401 2.851 30 40 FFEB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C#N)cc1 218117157 QNSADAPKWAPAFK-IXDOHACOSA-N 362.838 2.509 30 40 FFEB C[C@H](/N=C(/O)N1CC[C@@](F)(CO)C1)c1ccc(OCC2CC2)c(F)c1 328704480 OVENNIVMKOQXHB-SGTLLEGYSA-N 354.397 2.996 30 40 FFEB CCCCc1ccc(N2/C(=N\C(C)=O)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 12276982 BIJXVTPAEJMRHK-WZEOOOLQSA-N 366.508 2.651 30 40 FFEB Cc1cccn2c(=O)c(/C=N/c3ccc(Cl)cc3)c(NCCO)nc12 18140246 GBOOMRLVNXMOQM-SRZZPIQSSA-N 356.813 2.811 30 40 FFEB CCS(=O)(=O)c1ccc2c(c1)N/C(=C/C(=O)c1ccccc1)C(=O)O2 100829524 NEZFQSJOOKYJPF-RVDMUPIBSA-N 357.387 2.578 30 40 FFEB CCNC(=S)N/N=C/c1cc(Br)c(Br)o1 6891529 QTEGIRXPCYRDQC-UUILKARUSA-N 355.055 2.623 30 40 FFEB CCO/C(O)=N/c1nnc(SCC(=O)Nc2ccc(F)cc2)s1 32891709 UDCPQYLNGWLGHN-UHFFFAOYSA-N 356.404 2.990 30 40 FFEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1cccc2cnccc12 32936749 SWXPHNNPDFTHRW-UHFFFAOYSA-N 367.430 2.951 30 40 FFEB COC(=O)Cn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(F)ccc21 100876429 JFQVXNCFPLVZTF-UZYVYHOESA-N 369.377 2.628 30 40 FFEB N#CCCN(CCC#N)C(=O)CSc1nc(CCC2CCCC2)n[nH]1 25052604 NPCPJWPGORDBIK-UHFFFAOYSA-N 360.487 2.676 30 40 FFEB Cn1nnc2c[n+](CC(=O)c3ccc(Cl)cc3)cc(Br)c21 1789412 WCACCAUYUPWHKM-UHFFFAOYSA-N 366.626 2.555 30 40 FFEB CCOc1ccc(NC(=O)[C@@H](C)Sc2nc(N)cc(N)c2C#N)cc1 12600795 QBIJTOFJWCBZHZ-SNVBAGLBSA-N 357.439 2.636 30 40 FFEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc2c(c1)OCO2 3437056 ZBQNUFZVFFVGNU-UHFFFAOYSA-N 358.737 2.736 30 40 FFEB C=CCN(Cc1cccs1)C(=O)Cn1cnc2cc(F)ccc2c1=O 16698937 RLMYPPJDINRFKD-UHFFFAOYSA-N 357.410 2.812 30 40 FFEB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1ccc(C#N)cc1 14158576 ADZRPTGKOJCJFC-OAHLLOKOSA-N 362.433 2.754 30 40 FFEB O=S(=O)(CC1CCCCC1)/N=C(\O)C1CCN(c2cnccn2)CC1 80285998 YSBPGNNYBKOLBL-UHFFFAOYSA-N 366.487 2.560 30 40 FFEB C[C@H](C(=O)N(C)C1(C#N)CCCCC1)N(C)CC(=O)Nc1ccc(F)cc1 8750586 UMLRRWMSUZATNT-OAHLLOKOSA-N 374.460 2.769 30 40 FFEB COc1ccc(CC/C(O)=N/S(=O)(=O)c2ccc(C#N)cc2)cc1F 48503112 CWSZFFOWGPADSD-UHFFFAOYSA-N 362.382 2.984 30 40 FFEB C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1ccco1 2418715 KKZFNBVEOAOTEZ-SSDVNMTOSA-N 370.372 2.956 30 40 FFEB CS/C(=N\N=C(\C)c1ccccn1)N1CCN(c2ccccn2)CC1 17126123 BPWYMNLLHXKAAT-QNCMDHRXSA-N 354.483 2.742 30 40 FFEB N#Cc1cc2ccccc2nc1N1CCC[C@@H](C(=O)N2CCSCC2)C1 1889139284 LURCBXITJVTFLL-MRXNPFEDSA-N 366.490 2.898 30 40 FFEB Cc1ccc(N(CC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)cc1C 876945 VEHCAJXDUBDKGW-UHFFFAOYSA-N 371.462 2.774 30 40 FFEB C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1nc2ccccc2n1CCC 41146219 OQINPGJEWFPLMC-MRXNPFEDSA-N 354.410 2.803 30 40 FFEB C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)CS/C1=C/C(=O)C(C)(C)C 103052773 JCIRXHGMDKZXCS-OHXOBVGHSA-N 352.500 2.713 30 40 FFEB COc1ccc(C)cc1/C(O)=N/S(=O)(=O)Cc1ccc(Cl)nc1 58152819 NLUVTWUKLTZQKV-UHFFFAOYSA-N 354.815 2.887 30 40 FFEB C=C(C)CNC(=S)N/N=C/c1ccc(OC(=O)c2cccnc2)cc1 3320882 JNOBPMLAHTWRCG-SRZZPIQSSA-N 354.435 2.675 30 40 FFEB CC(C)C[C@@H](C(=O)N[C@](C)(C#N)C1CC1)N1C(=O)c2ccccc2C1=O 9515541 RATJCJHGKNFCQW-OXJNMPFZSA-N 353.422 2.506 30 40 FFEB Cc1ccc([C@H](C)NC(=O)CSc2nc(=O)[nH]c(C)c2C#N)cc1C 32776405 FEIUMTSAVBCGEQ-LBPRGKRZSA-N 356.451 2.536 30 40 FFEB Cc1ccc(/C=N/N2CC(=O)N3Cc4[nH]c5ccccc5c4C[C@@H]3C2=O)cc1 4046620 KMQNYGOBEPDMAH-JGHSGIRGSA-N 372.428 2.606 30 40 FFEB biogenic Cc1nc2ccccc2nc1N1CC[C@H]2CN(c3ccc(C#N)cn3)C[C@H]21 2086889690 NTAZUSAJIVGZAI-QFBILLFUSA-N 356.433 2.920 30 40 FFEB CC(=O)O/N=C1\c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] 100072848 YHSFMGPTWMKOHE-FOCLMDBBSA-N 372.249 2.707 30 40 FFEB C[C@@H]1C[C@H]2[C@@H]3CC[C@@]4(OCC4=O)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]2(C)C=CC(=O)C=C12 118936673 UAELTFMDOIYQJQ-GJHSQCDQSA-N 374.452 2.941 30 40 FFEB C=CCNC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 28493038 CYRNORXJWHLVAD-UHFFFAOYSA-N 352.362 2.681 30 40 FFEB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(C#N)cc2)cc1 6378321 WWYNRYWDQWEGHL-SFHVURJKSA-N 362.389 2.833 30 40 FFEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1cc(Cl)c(O)c(Cl)c1 409402890 GNMRMIWIMHBXBZ-WTTBSCSTSA-N 351.189 2.840 30 40 FFEB c1ccc2c(c1)nc(CCc1nc3ccccc3n1C[C@@H]1CO1)n2C[C@H]1CO1 18270777 CUELOFIXKPKDDH-IYBDPMFKSA-N 374.444 2.969 30 40 FFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1 7538664 JNFUFYGMDSXPCX-IFXJQAMLSA-N 364.401 2.889 30 40 FFEB CC1=NN(c2ccc(C)cc2)C(=O)[C@H]1/C=N/n1c(C)nc2ccccc2c1=O 9007914 KMUCUUVKZOLIMI-YPKZHZFPSA-N 373.416 2.886 30 40 FFEB C=CCN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C1=O 409128972 QDPOOVARQHKDFB-GXDHUFHOSA-N 369.333 2.942 30 40 FFEB COC(=O)C1(NCCC(=O)Nc2sc3c(c2C#N)CCCC3)CCC1 95454708 RQFQRFFIRLZIEW-UHFFFAOYSA-N 361.467 2.512 30 40 FFEB C#C[C@@H](OC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)C1CC1 89261389 OGVAEUJWKMPILV-SWLSCSKDSA-N 362.223 2.757 30 40 FFEB N#Cc1cccc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 511184187 LTSCKLUXDYVJEH-UHFFFAOYSA-N 351.797 2.969 30 40 FFEB CC(C)c1nc(N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc(N(C)C)n1 5849608 DUTFOVGXXSUZMB-QGMBQPNBSA-N 372.385 2.749 30 40 FFEB N#Cc1c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cn2ccccc12 22930865 AJLLAXCMPMVHPD-UHFFFAOYSA-N 374.444 2.857 30 40 FFEB N#Cc1cccc(NCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1 12565221 SZMWHJKGLVJZSC-UHFFFAOYSA-N 352.785 2.843 30 40 FFEB COc1cc(/C=C/C(=O)Nc2ccc3c(c2)OCO3)ccc1OCC#N 3353480 VGFNIQOKDJNYKJ-XVNBXDOJSA-N 352.346 2.978 30 40 FFEB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCC#N)C1=O 409011479 NLKXWRSNWLXBSC-ZTMOJVSCSA-N 360.391 2.577 30 40 FFEB C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 408816330 RNHZPBGFCDRXSU-CPNJWEJPSA-N 374.396 2.982 30 40 FFEB CC(=O)Oc1ccc(NC2=CC(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 100248032 WWRFCPHLURGSQI-UHFFFAOYSA-N 352.302 2.895 30 40 FFEB N#Cc1cn(C2CC2)c(=O)n(Cc2csc(-c3ccc(F)cc3)n2)c1=O 42156738 FZWNRTXPCHNPKF-UHFFFAOYSA-N 368.393 2.527 30 40 FFEB C[C@@H]1CN(C(=O)c2ccc(CNc3ncccc3C#N)cc2)C[C@@H](C)O1 58178050 BKDKJHICKXRODU-HUUCEWRRSA-N 350.422 2.815 30 40 FFEB C=CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 6177856 VHTMJGNAHXFPTP-UHFFFAOYSA-N 360.435 2.720 30 40 FFEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccco1 5445159 IGXXFLBLZNMKGM-GROYHEBESA-N 354.406 2.653 30 40 FFEB COc1ccccc1CCNC(=O)C1CCN(c2ccc(C#N)cn2)CC1 14482407 BLBKNPRPIZJLCU-UHFFFAOYSA-N 364.449 2.537 30 40 FFEB COc1cc(C#N)ccc1OCC(=O)c1ccc(N2CCCC2=O)cc1 7772325 WCVDVXNSMHWJJQ-UHFFFAOYSA-N 350.374 2.955 30 40 FFEB C[C@H]1CCCC[C@H]1NC(=O)CN1C(=O)CS/C1=C/C(=O)C(C)(C)C 255961413 JCIRXHGMDKZXCS-YDCWUURFSA-N 352.500 2.713 30 40 FFEB CC1(C)OB(c2ccc3c(C#N)nn([C@H]4CCCCO4)c3c2)OC1(C)C 1083099254 RKXSBUNKQWBIKK-QGZVFWFLSA-N 353.231 2.906 30 40 FFEB CC(C)(C)c1nc2c(c(N3CCN(c4ncccc4C#N)CC3)n1)CCC2 1888863758 JSVHBXNPMXFUMA-UHFFFAOYSA-N 362.481 2.856 30 40 FFEB CC(C)N1CCc2c(sc(NC(=O)c3ccc(C#N)cc3)c2C(N)=O)C1 4087117 BPWSKVFRFZOSSF-UHFFFAOYSA-N 368.462 2.737 30 40 FFEB C#Cc1cccc(NC(=O)NC[C@H](c2cccs2)N2CCOCC2)c1 43986134 BMERKXVFZFTOLO-QGZVFWFLSA-N 355.463 2.924 30 40 FFEB CC[C@H](C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCOCC1 2396446 HOCJTNGVHSXZMD-LSDHHAIUSA-N 368.437 2.663 30 40 FFEB C=CCn1c(SCC(=O)NC(=O)NC(C)(C)C)nnc1-c1ccccc1 3563097 BVOYNLADHZUAES-UHFFFAOYSA-N 373.482 2.848 30 40 FFEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CC(=O)O)cc1 6160894 TWYRBGOKZMZMPE-HVESIFNPSA-N 351.358 2.501 30 40 FFEB C=CCn1c(N)c(C(=O)NCCCOCC)c2nc3ccccc3nc21 5112014 XTOBOLNGKDBOGE-UHFFFAOYSA-N 353.426 2.509 30 40 FFEB COC(=O)c1cccc(Cn2cc(/C=N/NC(N)=S)c3ccccc32)c1 408542507 JVSPVVYHZWUCNW-UFFVCSGVSA-N 366.446 2.643 30 40 FFEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(C)C 32639380 AVKIGGRLQQATAR-WPIBOPBSSA-N 366.508 2.821 30 40 FFEB C#CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 408802884 IUOUCTHLWAGRJV-GHRIWEEISA-N 360.369 2.673 30 40 FFEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(C#N)cnn32)c(OC)c1 40267276 UZCLBQVSOAJEFM-GOSISDBHSA-N 350.378 2.794 30 40 FFEB CN(Cc1ccc(F)cc1C#N)C[C@@H]1CCCN(C)[C@H]1c1cncn1C 583620140 FQJZDVZMBSMRTI-OXJNMPFZSA-N 355.461 2.946 30 40 FFEB Cc1cc(N2CC[C@@]3(NC(=O)c4cncs4)CCC[C@H]23)c(C#N)cn1 1615610539 DKQWCWHJCCWRTB-WMZOPIPTSA-N 353.451 2.650 30 40 FFEB COc1ccc(-n2ncc3c(=O)n(Cc4ccc(C#N)cc4)cnc32)cc1 1330726 YRHUJDFHXKUOAM-UHFFFAOYSA-N 357.373 2.511 30 40 FFEB N#Cc1c(NC(=O)COC(=O)COC2CCCC2)sc2c1CCCC2 51731876 SJMWKXSJZHKOKV-UHFFFAOYSA-N 362.451 2.939 30 40 FFEB Cc1cc(C)n2nc(CCCNc3ccc([N+](=O)[O-])cn3)c(C#N)c2n1 32913370 HBEJRQJOUGOISR-UHFFFAOYSA-N 351.370 2.566 30 40 FFEB CN1CC[C@@H](C(=O)[C@@H](C#N)c2ncc(C(F)(F)F)cc2Cl)CC1=O 41549646 ZZRIZAHXUDQBPK-SCZZXKLOSA-N 359.735 2.798 30 40 FFEB C=CCNC(=O)NC(=O)CSc1nccn1-c1cccc(Cl)c1 12532126 HAECVGCOOFAHOI-UHFFFAOYSA-N 350.831 2.630 30 40 FFEB C[C@@H]1C/C(=N\Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC(C)(C)C1 5019505 DTBSEVMQCAVQJL-SIPGVVJPSA-N 354.432 2.856 30 40 FFEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1c(C)cc(C)cc1C 5377843 IQPSRUQXEKMBSI-IKZORZIJSA-N 366.508 2.623 30 40 FFEB C[C@H](CCc1ccccc1)NC(=O)COCC(=O)Nc1ccc(C#N)cc1 4680319 VOGCSKMNKOULLV-MRXNPFEDSA-N 365.433 2.651 30 40 FFEB O=c1c2ccccc2nc(O)n1N=Cc1cc(Cl)c(O)c(Cl)c1 409362839 STVKHYFUYZMAMO-UHFFFAOYSA-N 350.161 2.997 30 40 FFEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4C[C@@H](C)O[C@H](C)C4)[C@H]3[C@@H]3O[C@@]132 20111336 ADDHZWLTSYXUMP-BINYHFPKSA-N 363.498 2.621 30 40 FFEB Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(C#N)cc1F 409215827 BMKUCBUDLJOIRO-UHFFFAOYSA-N 357.297 2.710 30 40 FFEB N#Cc1cc(N)c(N2CCN(c3ccc(F)cc3)CC2)n1C[C@@H]1CCCO1 225870827 ALBOYYCLZPEDNQ-SFHVURJKSA-N 369.444 2.587 30 40 FFEB Cc1ccc(C)c(N/N=C2/C(=O)N(C(N)=S)N=C2c2ccccc2)c1 100006112 BSIUMWSPPTXJAV-LTGZKZEYSA-N 351.435 2.561 30 40 FFEB COC(=O)[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccc(Br)cc1 58060726 YGQMUARTIVSDQV-HNNXBMFYSA-N 373.206 2.965 30 40 FFEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2cc(Br)ccc2F)C(=O)O1 23641520 WCRGOHCUFLDOLV-JBQRSBCVSA-N 353.143 2.816 30 40 FFEB C=CCN1CCN([C@H](c2ccc(F)cc2)c2nnnn2C(C)(C)CC)CC1 20140017 GDFKYLDYPZTFAV-GOSISDBHSA-N 372.492 2.850 30 40 FFEB C[C@H](Sc1nnnn1C(C)(C)C)C(=O)N(C)C1(C#N)CCCCC1 14183920 JZUAPQBJHNTVNN-LBPRGKRZSA-N 350.492 2.594 30 40 FFEB N#Cc1ccc(NCC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 15291249 ZJPJTJZYJVQIGE-UHFFFAOYSA-N 352.785 2.843 30 40 FFEB COc1cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc(OC)c1O 7333660 QEZHLOUTFSWVOM-HWKANZROSA-N 355.346 2.636 30 40 FFEB C=CCN1C(=O)S/C(=C\c2cn(CC(N)=O)c3c(CC)cccc23)C1=O 409127384 DALQYVPXYMUIPL-DHDCSXOGSA-N 369.446 2.911 30 40 FFEB Cc1ccc(N=C[C@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1C 408530380 FEWWQVBAMLAHGY-NXNVCVFFSA-N 353.422 2.889 30 40 FFEB COc1ccccc1N1CCO[C@H]1c1cn(Cc2cccc(C#N)c2)nn1 216763438 SUKZVVZDCWENAT-FQEVSTJZSA-N 361.405 2.742 30 40 FFEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F 32504632 OTGUYWADPVMQER-GGNAOWBESA-N 370.471 2.617 30 40 FFEB N#CCN1CC2(CCN(S(=O)(=O)c3cccs3)CC2)c2ccccc21 96078850 LDFSKAWZEGFPIG-UHFFFAOYSA-N 373.503 2.814 30 40 FFEB Cc1c(C(=O)N2CCOCC2)sc(NC(=O)c2ccccc2)c1C#N 908711 MCJNTEUANARDDJ-UHFFFAOYSA-N 355.419 2.653 30 40 FFEB C=C(C)CNC(=S)NCc1ccc(CNC(=S)NCC(=C)C)cc1 6262218 WCZRJPHWFVZMHJ-UHFFFAOYSA-N 362.568 2.767 30 40 FFEB C=CC/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(O)c(O)c1O 12657128 YEIYHBVAYULOAK-PZFQXLDKSA-N 357.391 2.895 30 40 FFEB C#CCNC(=O)CSc1nc(N)c(-c2ccc(Cl)cc2)c(CC)n1 12753947 VYPVTYPUYNXBGC-UHFFFAOYSA-N 360.870 2.783 30 40 FFEB Cc1cc(C)cc(N(CCC#N)C(=O)Cn2cnc3ccccc3c2=O)c1 12952650 SDHMYEQFYBGPLE-UHFFFAOYSA-N 360.417 2.960 30 40 FFEB C[C@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCCC2 69284195 DLJOOBLZZOTTOQ-XJKSGUPXSA-N 367.467 2.795 30 40 FFEB C#CCn1c(C)c(C=Nn2c(O)nc3ccccc3c2=O)c2ccccc21 409356350 MOTCVYGLIRJZLK-UHFFFAOYSA-N 356.385 2.881 30 40 FFEB CCN(CC)c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)cc1 222319839 ZJFAFNLKQZZYEM-GGCYXDLGSA-N 363.461 2.920 30 40 FFEB CCn1cc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)c2ccccc21 15008821 KQMGLNWBWYFSRD-JJFYIABZSA-N 368.416 2.873 30 40 FFEB N#Cc1c(CCCNc2ccc([N+](=O)[O-])cn2)nn(-c2ccccc2)c1N 31576471 OUGMFDNZJUPURK-UHFFFAOYSA-N 363.381 2.674 30 40 FFEB N#Cc1cc2ccccc2nc1N1CCC(C(=O)N2CCSCC2)CC1 2298209803 LEOCUIAHKXDAOQ-UHFFFAOYSA-N 366.490 2.898 30 40 FFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCCN4CCCC4=O)[C@H]3C[C@@H]12 4028597 NWNADTATLWRPLF-NFSXTHTRSA-N 374.525 2.903 30 40 FFEB biogenic C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 75572724 JVELAMSYEQPKAF-SFHVURJKSA-N 358.401 2.846 30 40 FFEB COc1ccc(NC(=O)CSCC(=O)Nc2sccc2C#N)cc1 12998537 UKDNLJSQMFXYLK-UHFFFAOYSA-N 361.448 2.939 30 40 FFEB C=CCc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc(OC)c1OC 14164620 UPUOPAZHYKHQIS-UHFFFAOYSA-N 353.378 2.854 30 40 FFEB CN(CC(=O)N(CCC#N)CCC#N)Cc1ccc(OC(F)(F)F)cc1 69946376 ITKYYTCGZGUXBC-UHFFFAOYSA-N 368.359 2.673 30 40 FFEB C=CCN1C(=O)S/C(=C\c2cccc(OC)c2O[C@H](C)C(=O)O)C1=O 409232830 SINDUEHMXJWSIE-PEHNMLCRSA-N 363.391 2.769 30 40 FFEB CC(C)N1CC[C@H](/N=C(/N)SCc2ncc(-c3cccs3)o2)C1=O 95946488 FFYVOFZYLDHQDW-NSHDSACASA-N 364.496 2.960 30 40 FFEB O=C(NCC#CCN1CCc2ccccc2C1)c1ccc(Br)o1 77197640 IDTUVMPNIWFSGS-UHFFFAOYSA-N 373.250 2.834 30 40 FFEB C=CCN1C[C@@H]2CN(Cc3ccc(OC)cc3)CCC[C@]2(C(=O)OCC)C1 96055977 FXZVDXBPCQGZCO-UGKGYDQZSA-N 372.509 2.958 30 40 FFEB O=C1CN(c2cccc(C(F)(F)F)c2)C(=O)CN1/N=C\c1ccco1 5760654 CGXZGZBUMNKOBT-ZBKNUEDVSA-N 351.284 2.508 30 40 FFEB C=CCOc1ccc(C(=O)N2CCc3ncnc(NC4CC4)c3CC2)cc1 1565553782 IWTQTKSQGZIVIL-UHFFFAOYSA-N 364.449 2.857 30 40 FFEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cc(OC)ccc1OC)CC(=O)N2 4944331 VFJWOMURNVFOPH-GFCCVEGCSA-N 373.434 2.539 30 40 FFEB Cc1cc(C)n2nc(SCC(=O)Nc3cc(Cl)ccc3C#N)nc2n1 6851616 UGNULPGHYNAFMD-UHFFFAOYSA-N 372.841 2.997 30 40 FFEB O=S(=O)(/N=C(/c1ccc(Cl)cc1)N1CCOCC1)c1ccccc1 100577841 XVBMGXHPNGGCFH-ZPHPHTNESA-N 364.854 2.808 30 40 FFEB N#CCCN(CCC#N)C(=O)CN1CCn2cccc2[C@@H]1c1ccccc1 54988990 WDUAFZQFMLDTRC-NRFANRHFSA-N 361.449 2.549 30 40 FFEB Cn1ncc(Br)c([C@H](C#N)c2nc3ccccc3s2)c1=O 28114852 AVESAWZAHWRIQF-QMMMGPOBSA-N 361.224 2.808 30 40 FFEB O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1ccc(Cl)o1 25012796 IRJRXVGYLMJBFD-UHFFFAOYSA-N 367.814 2.656 30 40 FFEB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2C#N)c(OC)c1 3232823 FOVCPQYKRXBJCR-CSKARUKUSA-N 366.373 2.771 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-] 8072810 AEUKLKJFHKTVSR-CYBMUJFWSA-N 369.377 2.917 30 40 FFEB N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1/N=C/c1ccc(-c2ccccc2)cc1 13625340 XFUBLXIBBIUHKG-KEUVWYFMSA-N 371.487 2.837 30 40 FFEB N#Cc1ccc(CN2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 14137172 UCUUGHXBUNVYFP-UHFFFAOYSA-N 361.492 2.563 30 40 FFEB N#CCOC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 9386851 ZRGLFQIYDTXPKW-UHFFFAOYSA-N 363.464 2.553 30 40 FFEB C=CCOc1cccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1 408604799 IIDZSGHWGGGYJR-UHFFFAOYSA-N 360.435 2.656 30 40 FFEB CCCCCCCCCCCC[S@@](=O)[C@@H]1CS(=O)(=O)C[C@@H]1O 95870230 SYBGQUOWIDTOOE-MRUHUIDDSA-N 352.562 2.814 30 40 FFEB CCOC1=C(N2CCCCC2)C(=O)C(OCC)=C(N2CCCCC2)C1=O 255189496 QFLSOJLQHYPJGL-UHFFFAOYSA-N 362.470 2.606 30 40 FFEB N#Cc1cccc2c1CCN2C(=O)CNC(=O)c1cc2c(s1)CCCC2 591536512 CDGPGFDAZVHIRK-UHFFFAOYSA-N 365.458 2.818 30 40 FFEB N#Cc1ccc(NC(=O)[C@@H](Sc2nc(N)n[nH]2)c2ccccc2)cc1 1772491211 NGICVSYFYBEGHT-AWEZNQCLSA-N 350.407 2.731 30 40 FFEB Cn1ccc(Cn2c(-c3ccc(Cl)s3)ccc(C#N)c2=O)cc1=O 1656674689 CACYZQJIYPXRLW-UHFFFAOYSA-N 357.822 2.849 30 40 FFEB COc1ccccc1[C@H]1C(C(C)=O)=C(O)C(=O)N1CCCCCC(=O)O 4494540 CQLMUVHFPYARJU-KRWDZBQOSA-N 361.394 2.625 30 40 FFEB Cc1nc2ccccc2n1[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C1 585149233 XEHFIEYGQFKVCA-MRXNPFEDSA-N 366.446 2.852 30 40 FFEB O=S(=O)(c1ccc(/N=C/c2ccc3c(c2)OCO3)cc1)N1CCCC1 674798 MNQYBTIJHJNZSQ-XDHOZWIPSA-N 358.419 2.950 30 40 FFEB Cn1nccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCCCC2 659013 OCJSWRIVXRQFOB-UHFFFAOYSA-N 359.480 2.749 30 40 FFEB N#Cc1ccc(S(=O)(=O)Nc2cccc(N3CCCCC3=O)c2)cc1 24956838 YWMGFJUVEGUVMO-UHFFFAOYSA-N 355.419 2.876 30 40 FFEB CN(C)S(=O)(=O)c1cccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)c1 44027825 UDHMGJXQGXDFJI-DHZHZOJOSA-N 359.403 2.531 30 40 FFEB C=CCN(CC(F)(F)F)C(=O)Cn1cnc2c(oc3ccccc32)c1=O 57359104 XZPQZMHZQDZASW-UHFFFAOYSA-N 365.311 2.720 30 40 FFEB N#Cc1cccc(NC(=O)N2CCC(C(=O)NCc3ccco3)CC2)c1 58192242 WLCBCYUCAXVDGN-UHFFFAOYSA-N 352.394 2.712 30 40 FFEB CC(=O)NCCO/N=C(\CCCC(=O)O)c1ccc(C(F)(F)F)cc1 65734023 AKWQMVCHHIIRDB-KGENOOAVSA-N 360.332 2.817 30 40 FFEB in-vitro C[C@@H](NC(=O)COC(=O)c1ccc(NC(=O)CC#N)cc1)c1ccccc1 3429335 UIHKEKGLOUGKTO-CQSZACIVSA-N 365.389 2.573 30 40 FFEB Cc1ccc(NC(=O)Cn2c3c(cc(C#N)c2=O)C(=O)CC(C)(C)C3)cc1 17042259 BHIRGCNCHSNNCT-UHFFFAOYSA-N 363.417 2.822 30 40 FFEB Cc1nnc(N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)n1N 4358115 CKXINTYJRDMQPE-REZTVBANSA-N 361.749 2.568 30 40 FFEB N#Cc1ccc(S(=O)(=O)/N=C(\O)[C@H]2C[C@@H]2c2cccc(C#N)c2)cc1 83146657 UODQWJCFTMNEFS-SJORKVTESA-N 351.387 2.879 30 40 FFEB COc1ccccc1N=C[C@H]1C(=O)NC(=O)N(c2ccccc2C)C1=O 408536902 TWWGSURZMNXFIO-ZDUSSCGKSA-N 351.362 2.605 30 40 FFEB N#CCc1cccc2c1CCN(C(=O)c1ccc(-n3ccnc3O)cc1)C2 1301978203 SGMJWZCYWQQQNZ-UHFFFAOYSA-N 358.401 2.842 30 40 FFEB N#Cc1cccc(C(=O)N2CC3(C[C@@H](OCc4ccncc4)CS3)C2)c1 575402390 CEQBXIBTCMQNAB-GOSISDBHSA-N 365.458 2.870 30 40 FFEB CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1cccc(C#N)c1 12977911 FKIQIQQHJUKORZ-UHFFFAOYSA-N 352.419 2.565 30 40 FFEB COc1ccc2cc(C[C@H](C#N)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 883085 GCUISVOKXDYXLY-CQSZACIVSA-N 365.364 2.997 30 40 FFEB C=CCSCC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 51419946 SJFFITPDCDKYKZ-UHFFFAOYSA-N 359.495 2.831 30 40 FFEB CN(C)/C=C(\C(=O)c1ccc(F)c(F)c1)c1nnnn1-c1ccccc1 6637475 NJCBVPREXBWEMV-SDNWHVSQSA-N 355.348 2.726 30 40 FFEB C[C@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(O)c1 58225246 XKYYRRJRYDSWIG-AWEZNQCLSA-N 350.422 2.753 30 40 FFEB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccc(C#N)cc1)C2=O 3321670 FIUOZIPVILHHIR-ZUOKHONESA-N 368.437 2.634 30 40 FFEB CCN([C@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cccc(C#N)c1 7218986 LLBKHXPIILZKNN-OAHLLOKOSA-N 371.462 2.905 30 40 FFEB N#CCCN1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 21743265 KCFWMWSVPUJPFR-UHFFFAOYSA-N 361.511 2.954 30 40 FFEB CC(C)Oc1cc(N(C)C)ccc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409409202 UKNMKZMJKATYEB-KODHJQJWSA-N 367.449 2.681 30 40 FFEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1 32506823 SCSWXCGTHWKTOP-UICBKRPASA-N 366.508 2.787 30 40 FFEB Cc1cc(OCC(=O)Nc2ccc(C#N)cc2)nc(N2CCC[C@H](C)C2)n1 44168763 XVNZTADZZUNEIM-AWEZNQCLSA-N 365.437 2.911 30 40 FFEB N#C[C@H](/C(=N/NC(N)=S)C(=O)Nc1cccc(Cl)c1)c1ccccc1 8655979 KSMVUWUHXZQXOA-LWOZTNPUSA-N 371.853 2.775 30 40 FFEB COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc2c(c1)OCO2 1101652 JBSAUOPKEOFYPV-OAHLLOKOSA-N 371.389 2.516 30 40 FFEB CC/N=C1\S/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)C(=O)N1CC 100955709 XCEKFGRVHMGCMQ-AXWYIFPNSA-N 351.384 2.621 30 40 FFEB C=CCN(Cc1cccs1)C(=O)CCN1C(=O)c2ccccc2C1=O 12622758 ZWSIRQRRLQRYHU-UHFFFAOYSA-N 354.431 2.949 30 40 FFEB COc1cc(OC)cc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1 14197446 RAFYEFZTLPSWFX-FQEVSTJZSA-N 365.433 2.726 30 40 FFEB Cc1cc(-c2nnc(S)n2/N=C/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 9009040 UJKCDUVGQQKHCT-LWOAUJEXSA-N 355.383 2.721 30 40 FFEB COc1ccc(NC(=O)c2ccc(NCC(=O)N(C)CCC#N)cc2)cc1 72314812 JHFVWMDKCYFDII-UHFFFAOYSA-N 366.421 2.731 30 40 FFEB COCc1c(C#N)c(O)nc(/C=C/c2ccc(OC)cc2OC)c1[N+](=O)[O-] 409194787 MGCXADWZESHVDZ-FNORWQNLSA-N 371.349 2.901 30 40 FFEB CC[C@]1(c2ccccc2)C(=O)N(C)C(=O)N(Cc2cccc(C#N)c2)C1=O 55104345 VWCISUIQKIQDHX-NRFANRHFSA-N 361.401 2.827 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccccc2)cc1OC 5408736 ADWUYKVYPVYGOD-KRWDZBQOSA-N 353.374 2.912 30 40 FFEB C#CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(SC)cc1)CC(=O)N2 4944375 YEKREFXFTLHWDJ-GFCCVEGCSA-N 357.460 2.691 30 40 FFEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(O)cc1 17124692 NDEUJYUCBTXKDQ-QGZVFWFLSA-N 371.389 2.908 30 40 FFEB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1ccc(C#N)cc1 103781817 DPJVSSOIHKNUCO-UYAOXDASSA-N 367.474 2.863 30 40 FFEB Cc1cccc(N2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)c1C 173371243 JTNIYJLBZFBARJ-UHFFFAOYSA-N 352.442 2.768 30 40 FFEB CC[C@H](C)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCOCC1 2396444 HOCJTNGVHSXZMD-GJZGRUSLSA-N 368.437 2.663 30 40 FFEB CC(=O)Oc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1Cl 409347173 MMOITJZWGKMCSQ-UHFFFAOYSA-N 357.753 2.563 30 40 FFEB COc1cc(Br)c(S(=O)(=O)/N=C(\O)C(C)C)cc1OC 48580161 JSVIFXTZUVXANT-UHFFFAOYSA-N 366.233 2.768 30 40 FFEB CN1C(=O)/C(=N/n2cnc3sc4c(c3c2=O)CCCC4)c2ccccc21 8091859 ARFCXAGVAMPNRO-LTGZKZEYSA-N 364.430 2.566 30 40 FFEB C=CCO[C@H]1CC2(CCN(C(=O)c3ncn(C)n3)CC2)c2cc(C)ccc21 1565542627 RUXJSBSSVRUQOV-SFHVURJKSA-N 366.465 2.945 30 40 FFEB CSc1ccccc1C(=O)N1C[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]2C1 2298212795 NVEFVYGQNYDXLR-HOTGVXAUSA-N 364.474 2.884 30 40 FFEB CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccsc2)cc1 102787679 FNSJAMMXLRSCTK-OBGWFSINSA-N 363.464 2.813 30 40 FFEB C[C@H]1C(=O)N(CCOc2cccc(C#N)c2)C(=O)N1c1ccc(F)cc1 47349471 IGKHKGZRGQJMHT-ZDUSSCGKSA-N 353.353 2.933 30 40 FFEB Cc1[nH]c(CN(C)C(=O)c2cc(C#N)c[nH]2)nc1-c1cccc([N+](=O)[O-])c1 97011608 ZXPNIUUSENCDSU-UHFFFAOYSA-N 364.365 2.765 30 40 FFEB O=[N+]([O-])c1ccc(N2CCOCC2)c(/C=N/Nc2nc3ccccc3[nH]2)c1 408591506 UNLWJRVYZOHWSH-XDHOZWIPSA-N 366.381 2.754 30 40 FFEB C=CCN1CC[C@@]2(CN(Cc3ccccn3)C[C@H]2c2nccs2)C1=O 306141272 VQJLCIKYEMYRRD-LPHOPBHVSA-N 354.479 2.542 30 40 FFEB CCCCCOc1ccc(/C=C/C(=O)ON2C(=O)CCC2=O)cc1OC 97940132 AIZPCDRWOQCUQP-YRNVUSSQSA-N 361.394 2.885 30 40 FFEB COC(=S)N/C(=N\CS(=O)(=O)c1ccccc1)c1ccc(C)cc1 6184540 DPEFRNIDLLNRGM-UHFFFAOYSA-N 362.476 2.694 30 40 FFEB N#CCCn1cc(CNCc2nnc3ccccn23)c(-c2ccccc2)n1 12682205 HGNCLHXEBNTVFV-UHFFFAOYSA-N 357.421 2.796 30 40 FFEB CC1=CC(=O)/C(=C\Nc2ccc(I)cc2)C(=O)O1 102493821 CJTLGONKLCLHOQ-YRNVUSSQSA-N 355.131 2.617 30 40 FFEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C 2619923 OETRSCCXHJXNCI-QGZVFWFLSA-N 361.446 2.768 30 40 FFEB C[C@H]1CN(C(=O)c2ccc(CNc3ccc(C#N)cn3)cc2)C[C@H](C)O1 58180360 WHQSCLBCOPHABT-GJZGRUSLSA-N 350.422 2.815 30 40 FFEB C#Cc1cccc(NC(=O)CCNS(=O)(=O)c2cc(C)ccc2C)c1 13005556 YRJAIRAJROLEQW-UHFFFAOYSA-N 356.447 2.592 30 40 FFEB C=C(C)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)=O)cc1 6719133 YFBCMBBDBQMASI-HOTGVXAUSA-N 364.492 2.540 30 40 FFEB COc1cccc(/C=N/O[C@H](C)C(=O)NCc2ccc(F)cc2)c1OC 15392732 KIWVCTCDRZAFMB-UMYHVIPVSA-N 360.385 2.898 30 40 FFEB C=CCNc1nnc(SCC(=O)Nc2ccsc2C(=O)OC)s1 9656201 WYDKCRZBPNSCGT-UHFFFAOYSA-N 370.481 2.715 30 40 FFEB C=CCc1cc(OC)ccc1OCC(=O)Nc1cccc(C(=O)NC)c1 9315516 BBLIVLDMQYOSGX-UHFFFAOYSA-N 354.406 2.801 30 40 FFEB C#CCN1CCCC[C@H]1C(=O)NCCOc1ccccc1C(F)(F)F 72270359 UQRYXCCREHLDDR-HNNXBMFYSA-N 354.372 2.688 30 40 FFEB CC(C)[C@@H](Oc1ccccc1C#N)/C(O)=N/S(=O)(=O)c1cccnc1 84409442 XJWNUHNCQNRKRL-MRXNPFEDSA-N 359.407 2.702 30 40 FFEB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@]1(C#N)COC 218201678 HBYFUTQLFZHCFK-MJBXVCDLSA-N 358.257 2.506 30 40 FFEB C[C@@H](C(O)=Nc1nncn1C1CC1)N1CCN(c2ccc(F)cc2)CC1 329130479 WZVNRXSVSYZKFT-ZDUSSCGKSA-N 358.421 2.551 30 40 FFEB Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1-c1ncn([C@@H]2CCCCO2)n1 642882645 YHGLORZOKUZBMS-HNNXBMFYSA-N 370.262 2.647 30 40 FFEB N#Cc1cnc(N2C[C@@H]3CN(c4cc(C5CC5)ncn4)C[C@@H]3C2)c(Cl)c1 1888849569 YDEAPRRPSGMAOZ-GASCZTMLSA-N 366.856 2.847 30 40 FFEB COc1ccc(NC2=C(NC(C)=O)C(=O)c3ccccc3C2=O)cc1OC 100917504 BBLOFYAAVPZMJI-UHFFFAOYSA-N 366.373 2.543 30 40 FFEB CCCC[C@@H](CC)CNC(=O)CN(C)S(=O)(=O)c1ccccc1C#N 29431667 WJDAFCCLDMOJGG-OAHLLOKOSA-N 365.499 2.511 30 40 FFEB NC(N)=NS(=O)(=O)c1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1 20840947 USMZLZRLPBFQIS-UFWORHAWSA-N 371.249 2.706 30 40 FFEB C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@H](c2nncn2C2CC2)C1 83888634 JWYYISUHQNANQH-HOCLYGCPSA-N 365.437 2.658 30 40 FFEB C/C(=N\Nc1nc(C)cc(C)n1)c1ccc(S(=O)(=O)N2CCCC2)cc1 8943296 BCFOYTIGISXMBC-RCCKNPSSSA-N 373.482 2.714 30 40 FFEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1NCCCN1CCCCC1 32806376 UJSQRUXQLQXGCH-OAHLLOKOSA-N 367.453 2.698 30 40 FFEB COc1ccc([C@@H]2NC(=O)C(=O)/C2=C(/O)c2ccc(C)cc2)cc1OC 102609820 IEEXNNFNJUQQOB-HVESIFNPSA-N 353.374 2.722 30 40 FFEB Cc1csc([C@H](C#N)C(=O)CSc2n[nH]c3nc4ccccc4n23)n1 23936238 SZTLLBLHWSNOAI-SNVBAGLBSA-N 368.447 2.944 30 40 FFEB O=S(=O)(Cc1ccc(Cl)nc1)/N=C(\O)Cc1ccc2c(c1)CCO2 58151955 NZPVOEDFNQPHQA-UHFFFAOYSA-N 366.826 2.699 30 40 FFEB C=CCN(C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)[C@H]1CCS(=O)(=O)C1 58264499 YPMFQBFYNYPHIT-HNNXBMFYSA-N 372.490 2.862 30 40 FFEB C=CCc1c(C)nc(SCC(=O)NC2Cc3ccccc3C2)nc1O 10494383 KXRPSGRZLPXDIE-UHFFFAOYSA-N 355.463 2.595 30 40 FFEB N#C[C@@H](COC(=O)CCn1cnc2ccccc2c1=O)Cc1cccs1 89866524 LZWOWUBFMGVXMM-AWEZNQCLSA-N 367.430 2.774 30 40 FFEB Cc1ccc(-n2nnnc2/C(=C/N(C)C)C(=O)c2cccc(F)c2)cc1 5417112 DKCGVDGWAVJAAZ-SFQUDFHCSA-N 351.385 2.895 30 40 FFEB COc1cc(C#N)ccc1O[C@H](C)C(=O)c1ccc(CNC(C)=O)s1 9050774 VSTFGUASSZMFOD-LLVKDONJSA-N 358.419 2.915 30 40 FFEB C=CCc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(OC)c1OC 409402382 FAATXRZYSUHMTP-DFEHZGFQSA-N 366.417 2.573 30 40 FFEB C#C[C@]1(O)CCCC[C@@H]1NCc1cc2c(cc1Br)OCO2 226097787 UUEZHLQJANLCBX-HOTGVXAUSA-N 352.228 2.574 30 40 FFEB N#Cc1nccnc1N1CCC(CNC(=O)c2cc3ccccc3o2)CC1 206601886 URVMJFQDTKJWAZ-UHFFFAOYSA-N 361.405 2.741 30 40 FFEB Cc1c(C(=O)N2CCOCC2)sc(NC(=O)c2ccccc2F)c1C#N 871332 SXVGYMUZTHBKBX-UHFFFAOYSA-N 373.409 2.792 30 40 FFEB C=CCNC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccccc1 4861006 YFRZLEIDDMSOHA-UHFFFAOYSA-N 365.462 2.783 30 40 FFEB CCc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 103504585 IGUMSVNQTWNVAD-YJBOKZPZSA-N 367.449 2.687 30 40 FFEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)OC(N)=C2[N+](=O)[O-])cc1OC 706510 HVLVHVWSNMHNIY-HNNXBMFYSA-N 374.393 2.865 30 40 FFEB CCn1cc([C@H]2C(C(=O)C3CC3)=C(O)C(=O)N2Cc2ccccc2)cn1 22637669 ZHXURDIVEWBRDT-KRWDZBQOSA-N 351.406 2.778 30 40 FFEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O 12747596 MCZTWCGZQNDDNB-JOCHJYFZSA-N 373.412 2.697 30 40 FFEB Cc1ccc(C(=O)N[C@H](C)CC#N)cc1S(=O)(=O)NCc1ccccc1 62580214 WSMHVGPJQAGBFE-OAHLLOKOSA-N 371.462 2.506 30 40 FFEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl 5490053 UACXWRDSGNZMLX-RGHHBTPQSA-N 372.899 2.742 30 40 FFEB CN(C)CCOC[C@H]1CCC[C@]12CN(Cc1cccc(C#N)c1)CCO2 96159887 CGRPMORMRHAWTM-RTWAWAEBSA-N 357.498 2.508 30 40 FFEB C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O 574749020 CUJWYVTXDRLSOF-WDSOQIARSA-N 371.481 2.805 30 40 FFEB C=CCn1c(SC)nc2ccc(I)cc2c1=O 2206131 XAUWONXKRMSEJD-UHFFFAOYSA-N 358.204 2.909 30 40 FFEB N#Cc1ccc(OCCN2CCN(C(=O)c3ccccc3F)CC2)cc1 12978397 WYAPHTRITHXUFH-UHFFFAOYSA-N 353.397 2.534 30 40 FFEB CCOC(=O)c1ccc(N/N=C2/C(=N)NN=C2c2ccc(OC)cc2)cc1 5799574 RHPXEAJMAVFSTN-UHFFFAOYSA-N 365.393 2.625 30 40 FFEB N#CCC(=O)Nc1ccc(C(=O)OCC(=O)NC2CCCCCCC2)cc1 6883091 NANJRIZSKDLZEV-UHFFFAOYSA-N 371.437 2.925 30 40 FFEB COc1cc(NC(=O)CSc2ncccc2C#N)cc(OC)c1OC 71326948 WPSKTVDDGURYDF-UHFFFAOYSA-N 359.407 2.710 30 40 FFEB C[C@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)NC1(C#N)CCC1 564394045 CSQLDUZZVIDWPI-XZJROXQQSA-N 365.836 2.850 30 40 FFEB C=CCOc1ccc(C(=O)N2CCC(C(=O)N(C)C(C)C)CC2)cc1OC 41168369 GWOXTGIUJKAGAA-UHFFFAOYSA-N 374.481 2.979 30 40 FFEB Cc1ccc(N/C(S)=N\[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 13685939 LYZHVMKTPORNDG-JKSUJKDBSA-N 361.423 2.695 30 40 FFEB CCOC(=O)c1sc(N/N=C/c2cc(OC)c(O)c(OC)c2)nc1C 3961743 HNOPVZDFPWQKFC-CAOOACKPSA-N 365.411 2.797 30 40 FFEB CCOc1ccc(S(=O)(=O)N/N=C(\C)c2ccc3c(c2)OCO3)cc1 6929198 RSMRKTZRINMNOL-LDADJPATSA-N 362.407 2.517 30 40 FFEB CC(C)C[C@H](C(=O)N[C@](C)(C#N)C1CC1)N1C(=O)c2ccccc2C1=O 12569475 RATJCJHGKNFCQW-OXQOHEQNSA-N 353.422 2.506 30 40 FFEB N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2cccc(F)c2)CC1 26714904 KYTJEVCXFINXLV-UHFFFAOYSA-N 354.341 2.568 30 40 FFEB Cn1c(NCCC(c2ccccc2)c2ccccc2)c(C#N)c(=O)n(C)c1=O 9607637 CDPPEMQLYHOQMC-UHFFFAOYSA-N 374.444 2.590 30 40 FFEB CCCCCCCCc1c(O)nc(SCCN2CCOCC2)[nH]c1=O 97951463 XMCOTTQGDMXRLA-UHFFFAOYSA-N 369.531 2.803 30 40 FFEB COc1cc(-c2c3c([nH]c(=N)c2C#N)CCCC3)c([N+](=O)[O-])cc1OC 408978322 IDQMFTLIPAUJIB-UHFFFAOYSA-N 354.366 2.837 30 40 FFEB CN([C@@H](CCc1ccccc1)C(F)F)S(=O)(=O)c1cccnc1C#N 585123494 RMMXEGYLAUMBTQ-HNNXBMFYSA-N 365.405 2.840 30 40 FFEB N#Cc1cccnc1N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888849882 FYNIFMBDIYGFIH-ZIAGYGMSSA-N 359.355 2.940 30 40 FFEB COc1cccc([C@H]2C3=C(CCCC3=O)Nc3c(C#N)cnn32)c1OC 40288516 HSYNTKUPXGEALI-KRWDZBQOSA-N 350.378 2.794 30 40 FFEB CCCc1cc(=O)[nH]c(SCC(=O)N(CCC#N)c2ccccc2)n1 12312054 UJGSFZFNQURNJX-UHFFFAOYSA-N 356.451 2.761 30 40 FFEB C=C(C)CN(CC)C(=O)c1cccc(N2NC(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 58216095 AOFFSPCPJXMSHS-ROUUACIJSA-N 367.449 2.685 30 40 FFEB CCCOc1ccc(/C=N/Nc2cc(C)nc(N3CCOCC3)n2)c(O)c1 4812394 WEZIDBXQDOGEPM-DEDYPNTBSA-N 371.441 2.562 30 40 FFEB C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)c3ccccc3)cc2C1=O 15089857 BDTBDGWPFXRSIS-CYBMUJFWSA-N 363.369 2.897 30 40 FFEB COc1cc(Br)cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c1O 15011962 UOIOCJHQNUVOHS-OMCISZLKSA-N 367.159 2.913 30 40 FFEB C=C(C)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 9061326 AXQFWLLISVKKMG-KBPBESRZSA-N 356.900 2.991 30 40 FFEB C#Cc1cccc(NC(=O)CN(C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 95983168 LCTRQTMSGCDNCQ-SFHVURJKSA-N 371.481 2.938 30 40 FFEB C/N=C1/S/C(=C/c2cc(Br)ccc2OCC#N)C(=O)N1C 408930253 URELQBACLVTBER-WHVZTFIZSA-N 366.240 2.883 30 40 FFEB C=CCSC1=NN(C)[C@H]2NC3=C(C(=O)N12)C(C)(C)Cc1ccccc13 32598483 JFSFVIKIJJRXMU-QGZVFWFLSA-N 354.479 2.831 30 40 FFEB N#CCC1(Cn2c(=O)c(Br)cn(Cc3ccccc3)c2=O)CC1 596266827 WMUGSQHTRUYFIS-UHFFFAOYSA-N 374.238 2.515 30 40 FFEB COc1cc([C@@H]2Nc3nonc3NC3=C2C(=O)CCC3)cc(OC)c1OC 12389024 HPJOUHRNKPTSQK-HNNXBMFYSA-N 372.381 2.681 30 40 FFEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccncc1 104241271 ONWLOZGEDHMCRM-UYTDBDHRSA-N 371.462 2.517 30 40 FFEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccc(F)cc1 102934790 CFXWEXPWXPHNPE-IBOXJLQUSA-N 359.353 2.877 30 40 FFEB COC(=O)c1oc(CN2C(=O)CS/C2=C/C(=O)C(C)(C)C)cc1C 103104808 MAQJUVIJWHTJOO-VGOFMYFVSA-N 351.424 2.907 30 40 FFEB N#Cc1ccc(CSCC(=O)N2CCN(c3ccncc3)CC2)cc1 47773998 QTFCFGPHTPLRJN-UHFFFAOYSA-N 352.463 2.535 30 40 FFEB N#Cc1nc(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)[nH]c1C#N 58218255 PWCQGSASHPQGJE-QWRGUYRKSA-N 356.183 2.658 30 40 FFEB COc1cc2c(cc1OC)CN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2 7984669 NWOKFBFJDAABBW-VLIAUNLRSA-N 359.470 2.505 30 40 FFEB C=CCN(Cc1ccc(OC)cc1)C(=O)CNC(=O)c1cc(C)oc1C 58403355 FOYZMERNBKVVLK-UHFFFAOYSA-N 356.422 2.850 30 40 FFEB COc1ccccc1CN/N=C/c1cn(CCC(N)=O)c2ccccc12 20762097 QQYGPYVREPIGAQ-YDZHTSKRSA-N 350.422 2.649 30 40 FFEB C=CCN1C(=O)[C@](O)(CC(=O)c2cc(OC)ccc2OC)c2ccccc21 4317829 XZYKVUPXJMWXBW-NRFANRHFSA-N 367.401 2.697 30 40 FFEB C=CCOc1ccccc1CN1C(=O)[C@](O)(CC(C)=O)c2ccccc21 4987778 SZHYKNLJZVHBEV-NRFANRHFSA-N 351.402 2.965 30 40 FFEB C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCOC(C)=O)[C@@H](OC(C)=O)[C@H]12 85636476 MVCCWTMPDBIKCJ-QMHBMSAFSA-N 350.411 2.716 30 40 FFEB biogenic,in-vitro COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC#N)cc(OC)c1OC 55243769 DTQHIYZOPBPETJ-QSFXBCCZSA-N 360.454 2.904 30 40 FFEB biogenic COc1ccccc1OCC#CCNC(=O)c1cc(-c2ccccc2)n[nH]1 90610334 NATJPOSPXXPJDE-UHFFFAOYSA-N 361.401 2.898 30 40 FFEB CN(c1cccc(C#N)c1)S(=O)(=O)c1cc(C(=O)O)ccc1Cl 63346543 TWZSNQMBMDVDSJ-UHFFFAOYSA-N 350.783 2.735 30 40 FFEB CO[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1C 96105157 ZZYBLQIVVTUVAR-KRWDZBQOSA-N 371.824 2.963 30 40 FFEB CCOC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2)NC(=S)N1 8718047 VFFHBENYPQNAGY-MRXNPFEDSA-N 366.442 2.906 30 40 FFEB Cc1cccc(C(=O)/C(C#N)=N/Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 103630899 RDVCCCIHTPQGLW-PTGBLXJZSA-N 373.416 2.967 30 40 FFEB CCCCCCCCCn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C 101461681 ASEZHCPITRJVOO-UHFFFAOYSA-N 361.490 2.774 30 40 FFEB N#Cc1ccc(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)cc1Cl 58450213 YRWOQZOQAFFORP-UHFFFAOYSA-N 370.840 2.678 30 40 FFEB C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1ccccc1 12997115 BJZCXIOWYJGZDA-OAQYLSRUSA-N 361.401 2.790 30 40 FFEB C=CCN1C(=O)/C(=C/c2cn(CC=C)c3ccccc23)C(=O)NC1=S 4124049 ZKIFEUXMIIBWBR-RVDMUPIBSA-N 351.431 2.640 30 40 FFEB COc1ccccc1N=C[C@@H]1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 408536904 TYFAKBFGXQBKQP-CQSZACIVSA-N 351.362 2.605 30 40 FFEB COc1cccc(N2CCN(C(=O)[C@H](C)Oc3ccc(C#N)cc3)CC2)c1 8243617 KQBVJSOGUGCZIT-INIZCTEOSA-N 365.433 2.683 30 40 FFEB C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3ccccc3n2)c1 9833812 AYFMCYJETYMFGR-UHFFFAOYSA-N 367.430 2.951 30 40 FFEB CC1(C)CN(C(=O)c2cnccc2C#N)C[C@H](COc2ccccc2)O1 571813843 UDVWHXHVUGVHEH-QGZVFWFLSA-N 351.406 2.652 30 40 FFEB N#Cc1ccccc1OCCN[C@H]1CCO[C@@H]1c1cnn(CC2CC2)c1 1775959706 RIEIHTJNQAPJKS-AZUAARDMSA-N 352.438 2.663 30 40 FFEB CCC(=O)N1CCc2cc(/C(O)=N/c3nc(C(F)(F)F)n[nH]3)ccc21 51266457 IEWHAWRWLNKCLL-UHFFFAOYSA-N 353.304 2.759 30 40 FFEB Cc1cc(O)c(CN2CCOCC2)c2c1C(=O)/C(=C/c1ccncc1)O2 20573449 OAUPHOBWGGWENO-BOPFTXTBSA-N 352.390 2.544 30 40 FFEB C#CCNS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)C(C)C)c1 40150902 WBDGJMNMHDEQRK-UHFFFAOYSA-N 370.474 2.649 30 40 FFEB N#Cc1ccccc1S(=O)(=O)Nc1cccc(Oc2ncccn2)c1 32091292 VJJWYYUPJJVOFS-UHFFFAOYSA-N 352.375 2.941 30 40 FFEB N#CCCN(C(=O)COC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 3233965 FYNMVVIOZSYLPT-UHFFFAOYSA-N 353.334 2.698 30 40 FFEB O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1cccc(O)c1)c1ccc(Cl)cc1 8771164 LKYIAQCUXIXPQX-MRXNPFEDSA-N 373.792 2.616 30 40 FFEB N#Cc1cn(C2CC2)c(=O)n(Cc2coc(-c3ccc(Cl)cc3)n2)c1=O 48332972 PHRPKCCELSVIHQ-UHFFFAOYSA-N 368.780 2.573 30 40 FFEB CC[C@@H]1CCc2nc(SCC(=O)N3CCC[C@@H]3C(=O)O)c(C#N)cc2C1 12858130 YPQJWJYQLXSLER-MLGOLLRUSA-N 373.478 2.636 30 40 FFEB N#Cc1ncn(CC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)n1 12893371 KVTDTAAAUMOSNC-UHFFFAOYSA-N 369.388 2.641 30 40 FFEB Cn1c(=O)c2ccccc2n2c(COc3ccc(C#N)cc3Cl)nnc12 12556240 ZIALJDHDMWEOMS-UHFFFAOYSA-N 365.780 2.685 30 40 FFEB N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2CCn3ccnc3C2)CC1 161587745 UWWBOZISPVZUHD-FAEJEUNOSA-N 364.449 2.824 30 40 FFEB COC(=O)C[C@@]1(O)C(=O)C=C(c2ccc(C)cc2)N1c1ccccc1OC 904503 ZGYYMHBGNOONEP-OAQYLSRUSA-N 367.401 2.686 30 40 FFEB C=CCN1C(=O)c2ccc(C(=O)OCc3ccc(OC)c(F)c3)cc2C1=O 3567098 NRIVFNOBMXRBIX-UHFFFAOYSA-N 369.348 2.973 30 40 FFEB CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C 2619924 OETRSCCXHJXNCI-KRWDZBQOSA-N 361.446 2.768 30 40 FFEB COc1ccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccc(O)c(OC)c2)cc1 1252713 VUOMLWCPJUQBSD-GOSISDBHSA-N 369.373 2.898 30 40 FFEB COc1ccc(/C(O)=N/S(=O)(=O)Cc2ccc(Cl)nc2)c(F)c1 58150314 HXQGYTKVRUAAJU-UHFFFAOYSA-N 358.778 2.717 30 40 FFEB COc1ccc(OC)c([C@H]2CCCN2CC(=O)NC2(C#N)CCCC2)c1 7718527 MFHZEUDMXVIHDX-QGZVFWFLSA-N 357.454 2.793 30 40 FFEB CN(C)c1ccc(/C=N/Nc2ncnc3c2ncn3Cc2ccco2)cc1 5342418 PLQHKBQOPGFDDL-AUEPDCJTSA-N 361.409 2.980 30 40 FFEB CC(C)Oc1nc2ccccc2nc1[C@H](C#N)C(=O)NCc1ccco1 5484507 PLISZDANOZRIJQ-AWEZNQCLSA-N 350.378 2.934 30 40 FFEB COc1ccc([C@H](C#N)C(=O)c2cc(OC)c3c(c2OC)OCO3)cc1 66089821 XORQGRQIUJXEHR-AWEZNQCLSA-N 355.346 2.931 30 40 FFEB Cc1ccc2nc3c(cc(C#N)c(=O)n3-c3ccc(Cl)cc3)c(=O)n2c1 6809442 YFISOYCWJYZHQS-UHFFFAOYSA-N 362.776 2.832 30 40 FFEB Cc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)n1-c1ccncc1 409403738 BBKLQLRKOCKSJT-STEAMIEHSA-N 360.417 2.630 30 40 FFEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1C=Nc1ccc(Cl)cc1 408534568 MIUSMKZHKJHNON-LWWSYDQCSA-N 359.813 2.926 30 40 FFEB N#C[C@]1(CO)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515980 PAXUACGNGUBZNW-BBWFWOEESA-N 365.813 2.921 30 40 FFEB CC(C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 13581546 CCAYJYCNLMYTHL-ZNMIVQPWSA-N 368.437 2.802 30 40 FFEB Cc1nc2ccccc2c(=O)n1CC1CCN(c2cnccc2C#N)CC1 1888879566 JLCYECGVFVTJFV-UHFFFAOYSA-N 359.433 2.888 30 40 FFEB Cc1cc(C)n(Cc2ccc(I)cc2)c(=O)c1C#N 408607799 UTZYJVWVCNUQKL-UHFFFAOYSA-N 364.186 2.990 30 40 FFEB CN(Cc1cccs1)C(=O)CN1C(=O)CS/C1=C\C(=O)C(C)(C)C 40050829 GZQHFICRNYQDQX-PXNMLYILSA-N 366.508 2.739 30 40 FFEB CCOc1ccccc1N/C=c1\c(C)c(C#N)c2nc3ccccc3n2c1=O 101192971 DGWOJMJBWYMQPN-DTQAZKPQSA-N 370.412 2.996 30 40 FFEB CCOC(=O)c1sc(NC(=O)[C@H]2COc3ccccc3O2)c(C#N)c1C 2659016 ARKXOBQGKDKGLE-CQSZACIVSA-N 372.402 2.883 30 40 FFEB C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1nc(-c2ccc(F)cc2)no1 58193509 PYHSLJFLPLXCMQ-LLVKDONJSA-N 372.381 2.787 30 40 FFEB CCOc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 408536990 UGBYEDMIVXDPKW-QGZVFWFLSA-N 365.389 2.995 30 40 FFEB Cc1nc(N=C2NCN(CCc3cccs3)CN2)nc2ccccc12 19329146 DNPLFWOWPUZNRM-UHFFFAOYSA-N 352.467 2.640 30 40 FFEB COc1ccc(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1OC(F)F 95948154 HPXQXNHRHPCAPL-AWEZNQCLSA-N 367.396 2.603 30 40 FFEB C=CCN1CC[C@]2(CN(C(=O)c3cc4ccccc4n3C)C[C@H]2C)C1=O 1614929843 ITIZFSXRQZHKSQ-QVKFZJNVSA-N 351.450 2.675 30 40 FFEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3c(C#N)cnn32)c(OC)c1 40267277 UZCLBQVSOAJEFM-SFHVURJKSA-N 350.378 2.794 30 40 FFEB CC[C@]1(C#CCN2C(=O)c3ccccc3C2=O)C=CC2(CC1)OCCO2 1762010 GJVQYKKOPWDBSO-FQEVSTJZSA-N 351.402 2.776 30 40 FFEB O=C(NCC#Cc1ccccc1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 53221470 DUPCJERSSFRROZ-SFHVURJKSA-N 352.821 2.861 30 40 FFEB Cn1cc(Br)c(C(=O)Nc2sc3c(c2C#N)CCC3)n1 2206261 OIGIFPZXKXSRTN-UHFFFAOYSA-N 351.229 2.857 30 40 FFEB CC(C)C[C@@H](NC(=O)CSc1ncc(C#N)c(N)n1)c1ccccc1 7047154 OZAOOGWJDJERGN-OAHLLOKOSA-N 355.467 2.926 30 40 FFEB Cc1nn(-c2ccccc2)c(CSc2nnnn2CC(C)C)c1C#N 23493767 CHPWYUKZJRSSPL-UHFFFAOYSA-N 353.455 2.987 30 40 FFEB C=CCN1CCC[C@]12CCCN(S(=O)(=O)c1cccc(OC)c1)C2 96214831 QTMBYJRVCWBPCQ-GOSISDBHSA-N 350.484 2.500 30 40 FFEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3cccc(O)c3)NC2=O)cc1 16712033 ZLROXVWKMPBLGG-HNNXBMFYSA-N 355.419 2.949 30 40 FFEB N#Cc1nccnc1N1CC[C@@H](COc2ccc(-c3ccccc3)nn2)C1 1888890652 OICIVXQIINFGMY-OAHLLOKOSA-N 358.405 2.711 30 40 FFEB N#Cc1ccc(N2C[C@@H]3CCN(C(=O)c4ccc(F)cc4F)[C@@H]3C2)nc1 1040620400 YCNOCPKPCURZNS-SUMWQHHRSA-N 354.360 2.582 30 40 FFEB N#Cc1c(-c2ccco2)nc(SCc2cccc(C(=O)O)c2)[nH]c1=O 21660128 FURQWAPWSOKFNL-UHFFFAOYSA-N 353.359 2.892 30 40 FFEB Cc1cccc(NCC(=O)N[C@](C)(C#N)C(C)C)c1C(=O)N1CCCC1 55846555 IEFWOLFGCOMLFL-HXUWFJFHSA-N 356.470 2.697 30 40 FFEB C=CCN(C(=O)Cc1coc2cc(C)c(C)cc12)[C@H]1CCS(=O)(=O)C1 58308652 CIXBSZWRQMIVBX-INIZCTEOSA-N 361.463 2.794 30 40 FFEB C/C(=N/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccccc2C)S1)c1ccco1 4680698 SGFNMJFWGNMZSQ-OFNOZLENSA-N 370.434 2.928 30 40 FFEB Cc1ccc(N=C[C@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c(C)c1 408534443 LZGSWTGZNGEXFX-QBYUYEEZSA-N 353.422 2.889 30 40 FFEB COc1ccc(C(=O)N2CCN(c3ncc(Cl)c(C)c3C#N)CC2)cc1 612070331 YBWHFJXITNJPSK-UHFFFAOYSA-N 370.840 2.886 30 40 FFEB COc1ccccc1/C(N)=N\OCC(=O)N1c2ccccc2CC[C@@H]1C 54193471 POYSEYICRHVFPQ-AWEZNQCLSA-N 353.422 2.700 30 40 FFEB CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)N(C)CC#N 5413700 MIYCMDKFDHTAAQ-HOTGVXAUSA-N 372.469 2.947 30 40 FFEB biogenic,in-vitro C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(OC)c1 7360563 FHAUPSVZZQQRPG-UHFFFAOYSA-N 364.398 2.551 30 40 FFEB C(CO[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1[C@@H]2C[C@H]2O[C@H]12)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1[C@@H]2C[C@H]2O[C@H]12 100197790 HRUIRWVQYBQBJX-YYOKOYFZSA-N 358.478 2.643 30 40 FFEB Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)cc1F 47333837 YPDOGOXSFRWLDH-UHFFFAOYSA-N 366.396 2.996 30 40 FFEB CC(C)COc1ccc(C(C)(C)CNC(=O)N2CCO[C@H](C#N)C2)cc1 106586027 NVBFFZBJKISIIW-GOSISDBHSA-N 359.470 2.933 30 40 FFEB N#Cc1ccc(Cn2nc(-c3ccc4c(c3)OCCCO4)ccc2=O)cc1 58130160 JVGGOUNNYKDXRV-UHFFFAOYSA-N 359.385 2.992 30 40 FFEB COc1c2c(cc3c1[C@H](C/C(=N/O)c1ccccc1O)N(C)CC3)OCO2 4041751 CIKFNCZXZHSFRE-JTMDUIFQSA-N 370.405 2.927 30 40 FFEB biogenic C=CCOc1ccc(CN[C@@H](CC(N)=O)C2CCOCC2)cc1Cl 95452886 CKHDTXLJJFSTLR-INIZCTEOSA-N 352.862 2.665 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)NCc1ccccc1Cl 408709781 WZYKJHZOUDKWRB-UHFFFAOYSA-N 371.824 2.511 30 40 FFEB CN(Cc1ccc(F)c(C#N)c1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 548352358 BMZBBJQALUGAFU-OXJNMPFZSA-N 355.461 2.946 30 40 FFEB COc1ccccc1N1CCO[C@H]1c1cn(Cc2ccc(C#N)cc2)nn1 216763545 AUCDTOQJFNHALX-FQEVSTJZSA-N 361.405 2.742 30 40 FFEB CCS(=O)(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1C#N 46287735 HZMZKPPUTLCEKT-ZDUSSCGKSA-N 358.419 2.758 30 40 FFEB COc1cc(C)c(CN2CCN(c3ncccc3C#N)CC2)cc1OC 23718682 LLOZOXGWSCNXOI-UHFFFAOYSA-N 352.438 2.601 30 40 FFEB COc1ccc(C#N)cc1NC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 58157372 AHAOIBLDNVXDHX-UXBLZVDNSA-N 371.418 2.590 30 40 FFEB COc1cc2c(cc1OC)CN(CC(=O)Nc1ccccc1C#N)CC2 3390414 BVOBTGNFTSKJMG-UHFFFAOYSA-N 351.406 2.572 30 40 FFEB CCn1c(O)c(C(=O)COc2ccc(Cl)c(C)c2)c(C)c(C#N)c1=O 16806488 UXVKWMIDNXPVMV-UHFFFAOYSA-N 360.797 2.977 30 40 FFEB C#CCN1CCCC[C@@H]1C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 66686301 PCYVENZFBHTEBA-MSOLQXFVSA-N 364.848 2.867 30 40 FFEB COc1cc(C#N)ccc1OC(=O)Cc1ccc(N2CCCC2=O)cc1 15609971 YREPMXJNFSNTNN-UHFFFAOYSA-N 350.374 2.842 30 40 FFEB Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 95943081 XWNIYGHXDVVMSX-UHFFFAOYSA-N 359.385 2.821 30 40 FFEB COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC#N)cc(OC)c1OC 15022852 DTQHIYZOPBPETJ-ZAAXVRCTSA-N 360.454 2.904 30 40 FFEB biogenic C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@@]3(CCN(CC=C)C3=O)C2)cc1 1614938430 ZOUKMIDZAFPFHM-IIBYNOLFSA-N 354.450 2.748 30 40 FFEB CN(C)N1C(=O)C[C@@H](c2ccc3c(c2)OCO3)C2=C1CC(C)(C)CC2=O 1426955 YJYDGOMOGLUBDA-ZDUSSCGKSA-N 356.422 2.851 30 40 FFEB COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(C(=O)O)cc2)cc1 20112791 PHLFNHVHYKBKEN-KRWDZBQOSA-N 367.357 2.882 30 40 FFEB biogenic C=CCn1nnnc1NCc1cc(Br)c(OC)c(OCC)c1 7601944 PNAWFBFTFKXFDF-UHFFFAOYSA-N 368.235 2.641 30 40 FFEB CN(C)c1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)c2ccccc2n1 102229368 WLWWNNHMOWKEOM-HNNXBMFYSA-N 359.389 2.657 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1c(O)ccc2ccccc12 100199511 QQRCACCILUTOLS-MROBHSHPSA-N 358.397 2.932 30 40 FFEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(O)cc2)cc1 19138120 JBKNSHLWIVHMJW-ACJLOTCBSA-N 367.401 2.660 30 40 FFEB COc1cccc([C@H]2O[C@]3(C)OC(=N)[C@](C#N)([C@@H]3C)C2(C#N)C#N)c1OC 101007414 JSIXCCUXPRCOEI-ZQCXSYNGSA-N 366.377 2.678 30 40 FFEB C=CCNS(=O)(=O)c1ccc(Br)c(C(=O)OCC(=C)C)c1 28259471 PGTCNTNPHBFEDR-UHFFFAOYSA-N 374.256 2.646 30 40 FFEB Cc1nc(C)c(CO/N=C(/N)c2ccc(N3CCC(O)CC3)cc2)s1 72921398 LLMXXPDVWVCWAR-UHFFFAOYSA-N 360.483 2.558 30 40 FFEB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(c2nc(C)cc(C)c2C#N)C1 548334199 SBTHTHPWJZVIPB-SFHVURJKSA-N 355.467 2.577 30 40 FFEB COc1cc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(O)cc2)ccc1O 8566156 BPMSBVRYWIMZQD-KRWDZBQOSA-N 355.346 2.595 30 40 FFEB CC(C)c1ccc(O)c(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 58250352 NQJVRWZPJMPYCP-UHFFFAOYSA-N 350.422 2.745 30 40 FFEB CCN1CCN(c2oc(/C=C/c3ccc(OC)c(OC)c3)nc2C#N)CC1 8226929 FCFYENLSVWLDSX-SOFGYWHQSA-N 368.437 2.876 30 40 FFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CCN(Cc2ccccn2)CC1 48355857 WZCKSFKWFQXTLG-INIZCTEOSA-N 364.449 2.501 30 40 FFEB Cc1cc(C)n2nc(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)nc2n1 4523578 LRJCBWVHXCIZEC-LBPRGKRZSA-N 352.423 2.732 30 40 FFEB Cc1ccccc1OCCOCCOc1ccc(/C=N/NC(N)=S)cc1 4599094 IAAKAPYHCGNZCB-KGENOOAVSA-N 373.478 2.637 30 40 FFEB C=C(C)COc1ccc2c(C)c(CC(=O)NCCCN(C)C)c(=O)oc2c1 9340596 AGALWCVDBOWXLD-UHFFFAOYSA-N 372.465 2.667 30 40 FFEB CCOc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(Cl)c1O 409031383 AHIGSRCWLSHVGT-AIXYQGQMSA-N 360.797 2.585 30 40 FFEB COc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2ccccc2C)C1=O 408534159 LOCLMYRGRMOSQT-ZDUSSCGKSA-N 351.362 2.605 30 40 FFEB C#CCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)c2cccnc2)C=C1C 30881408 PPYZRNBYWRCENN-UFYCRDLUSA-N 367.493 2.806 30 40 FFEB biogenic,in-vitro CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@]21C 257350119 UWMKPWKZGHRUQC-XTJKRWRGSA-N 358.478 2.831 30 40 FFEB CN(C)c1cc(C#N)cc(C(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 590097582 YUDPHUQAJSBUDT-UZLBHIALSA-N 352.482 2.713 30 40 FFEB C=CCN1CN(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc21 2402865 MQVQMYQNZUQZQQ-UHFFFAOYSA-N 370.409 2.928 30 40 FFEB Cc1ccc2oc(C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc(=O)c2c1 22068791 DRUMYEZMXLEEDD-RNODOKPDSA-N 370.405 2.701 30 40 FFEB C=CCn1c(S[C@H](C)C(N)=O)nc2sc3c(c2c1=O)CC[C@H](C)C3 3458730 JHKUSOFHGNGPNH-VHSXEESVSA-N 363.508 2.735 30 40 FFEB C[C@H](Oc1ccc(O[C@H](C)C(=O)/C=C/N(C)C)cc1)C(=O)/C=C/N(C)C 13395912 OFEMPMXDFKBGNQ-IFNWOFBNSA-N 360.454 2.510 30 40 FFEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1cccnc1 6812677 DLBUKUVITCGQPP-UYTDBDHRSA-N 371.462 2.517 30 40 FFEB C=CCc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(OCC)c1O 409402401 FBMTYUGFCLNARS-DFEHZGFQSA-N 366.417 2.660 30 40 FFEB C=CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224749567 BUJMAGVJSGRLBH-UHFFFAOYSA-N 362.363 2.705 30 40 FFEB CCOc1ccc(S(=O)(=O)/N=C2\C=CC(=O)C(Br)=C2)cc1 5610787 PDIXZRPGFBPTBS-MHWRWJLKSA-N 370.224 2.633 30 40 FFEB C#CCN1CCC[C@](C[C@@H]2CC(c3cccc(F)c3)=NO2)(C(=O)OCC)C1 19529985 CVZQEJBBLMDDOH-GHTZIAJQSA-N 372.440 2.987 30 40 FFEB Cc1cc(C)n(CC(=O)Nc2ccccc2Br)c(=O)c1C#N 9319576 SYJLIDNLIQCQPU-UHFFFAOYSA-N 360.211 2.738 30 40 FFEB CCC(=O)C1=C(c2cccc(OC)c2)N(C(=O)CC)n2cnnc2S1 4518352 OIBVZMNVVSSWNG-UHFFFAOYSA-N 358.423 2.615 30 40 FFEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1cccc(Br)c1 105410427 VOZDCUJQJWMUDR-NIENAANYSA-N 359.223 2.980 30 40 FFEB C=CCn1c(C)nn(CN2CCc3cc(OC)c(OC)cc3C2)c1=S 8106413 QTBDFMIIQUORCZ-UHFFFAOYSA-N 360.483 2.942 30 40 FFEB C=CCSc1nc(SCC=C)c2cnc(N3CCN(C)CC3)nc2n1 5175305 WZXBWZFWUQZDSK-UHFFFAOYSA-N 374.539 2.728 30 40 FFEB O=C1/C(=C/c2ccc(N3CCOCC3)cc2)CS(=O)(=O)c2ccccc21 8718288 NJTWSFCXKZMBKO-DTQAZKPQSA-N 369.442 2.577 30 40 FFEB CCCCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1 408708713 LIDDXXJQNXGXSP-UHFFFAOYSA-N 359.470 2.994 30 40 FFEB Cc1ccc([C@H]2/C(=C(O)/C=C/c3ccccc3)C(=O)C(=O)N2CCO)cc1 9329922 UVYMPRWPNYAMMU-NBJAVWQESA-N 363.413 2.965 30 40 FFEB COc1cc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)ccc1C 301380707 UHJXIVOQOYNQMC-UHFFFAOYSA-N 353.397 2.977 30 40 FFEB C[C@H](CNc1oc(-c2ccc(Cl)cc2)nc1C#N)N1CCN(C)CC1 72238730 XVKHYQYRTRZEPF-CYBMUJFWSA-N 359.861 2.914 30 40 FFEB COC1(NC(=O)c2ccc(Br)cc2)C(C)=CC(=O)C=C1C 5523748 IFAOCJRPMHYSNP-UHFFFAOYSA-N 350.212 2.997 30 40 FFEB C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3oc(C)nc3c2)c1 15595138 YOMVXERADNYBEZ-UHFFFAOYSA-N 371.418 2.853 30 40 FFEB Cc1cccc(C)c1N1/C(=N/C(=O)C(C)C)S[C@@H]2CS(=O)(=O)C[C@H]21 9341434 CTIYBHNXYCNETR-NERIXLHVSA-N 366.508 2.561 30 40 FFEB Cc1cc(C(=O)NCC(C)C)ccc1NCC(=O)N[C@](C)(C#N)C(C)C 50957946 YLNPZWMYOMRJEF-HXUWFJFHSA-N 358.486 2.847 30 40 FFEB N#Cc1ccc(F)c(COC(=O)CCn2ncc(=O)c3ccccc32)c1 32860354 HGRQQEQEVDDQES-UHFFFAOYSA-N 351.337 2.541 30 40 FFEB Cc1ccccc1N1/C(=N\C(=O)CC(C)C)S[C@@H]2CS(=O)(=O)C[C@H]21 101312100 SSQPQCCBSXNMAQ-UICBKRPASA-N 366.508 2.643 30 40 FFEB C#Cc1cccc(NC(=O)[C@H]2CS[C@H](Cc3ccc(F)cc3)C(=O)N2)c1 25614152 ZLZTYTSIJXXPSL-QZTJIDSGSA-N 368.433 2.588 30 40 FFEB N#Cc1ccc(NC(=O)COC(=O)c2cncc(Br)c2)cc1 3319038 NIPODSAHYIRRQN-UHFFFAOYSA-N 360.167 2.511 30 40 FFEB C=CCn1c(SCC(=O)NCCC)nc2sc(CC)cc2c1=O 3328720 LPTUOAZQZQMGRU-UHFFFAOYSA-N 351.497 2.825 30 40 FFEB C=CCN1C(=O)/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S 16408039 LGEFNBRRCXRSDH-XFFZJAGNSA-N 352.393 2.696 30 40 FFEB Cc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)n1-c1ccccn1 409409212 ULTQEGSIWOMWDK-STEAMIEHSA-N 360.417 2.630 30 40 FFEB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)c1C 9835499 XNBTYBNDYCZASE-CQSZACIVSA-N 359.426 2.722 30 40 FFEB CC1(c2ccccc2)CC(Nc2ccc(C#N)cc2CS(N)(=O)=O)C1 603289818 HHDVZHWSPYRDLA-UHFFFAOYSA-N 355.463 2.879 30 40 FFEB C#CCNC(=O)CNC(=O)Nc1ccccc1SCc1ccsc1 51587008 CALRVSVLYBVNNE-UHFFFAOYSA-N 359.476 2.911 30 40 FFEB COC1=C[C@@H](/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)CC[C@H]1O 100007696 HZSBKDOTUYISNN-QCBCQSIUSA-N 372.417 2.800 30 40 FFEB C[C@@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)Nc1sccc1C#N 12563902 YGRLLECLMLZSHJ-NXEZZACHSA-N 356.407 2.778 30 40 FFEB O=C1CS/C(=N\c2ccccc2)N1S(=O)(=O)c1ccc(F)cc1 3236301 SYNBEEVNJFXYNJ-ICFOKQHNSA-N 350.396 2.778 30 40 FFEB N#CCSc1ccccc1NC(=O)CN1C(=O)CC2(CCCCC2)C1=O 12972883 XSUGSLVJPICTKF-UHFFFAOYSA-N 371.462 2.950 30 40 FFEB CCOC(=O)c1cccc(N2CC(=O)C(c3nc(C)c(C)s3)=C2N)c1 13693243 JZZJGQBTCSAWIG-UHFFFAOYSA-N 357.435 2.653 30 40 FFEB COc1ccc(NC(=O)C[C@@H]2S/C(=N\C3CC3)N(C3CC3)C2=O)cc1 4681863 OHEHBPBNJOLUDG-ZJYNUGOYSA-N 359.451 2.649 30 40 FFEB C=CCN(C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)c1ccccc1 7473451 XYYZQATZDQWVGV-QRWLVFNGSA-N 355.438 2.706 30 40 FFEB CCOC(=O)c1ccc(-c2ccc(/C=N/n3cnnc3)o2)c([N+](=O)[O-])c1 408720241 JYWPULRKZNTECJ-UFWORHAWSA-N 355.310 2.505 30 40 FFEB CC1CCN([C@H](C/N=C(/O)N2CC[C@@](F)(CO)C2)c2cccs2)CC1 328711674 RLFJDYWNAVUJDU-QAPCUYQASA-N 369.506 2.841 30 40 FFEB CCN1CCC[C@H]1CNC(=O)c1ccc(Oc2ccncc2C#N)cc1 685937879 YNHYXVJWYPBJMG-KRWDZBQOSA-N 350.422 2.960 30 40 FFEB COc1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2ccc(C)cc2)c(OC)c1 19138841 IYVOFCLYQHURBQ-QGZVFWFLSA-N 353.374 2.878 30 40 FFEB CCOC(=O)c1ccc(C#N)c(SCC(=O)N2CCc3ccccc32)n1 24988622 JDVJHVIWEHSDBA-UHFFFAOYSA-N 367.430 2.811 30 40 FFEB C=CCOc1c(Br)cc(/C=C2\NC(=O)NC2=O)cc1OCC 2992008 XMXTUQLAIUNHFM-XFFZJAGNSA-N 367.199 2.593 30 40 FFEB N#Cc1ccsc1NC(=O)CN1CCN(Cc2ccc(F)cc2)CC1 22937369 GSCRSXCPBBSQPE-UHFFFAOYSA-N 358.442 2.515 30 40 FFEB Cc1cc(C)n2nc(CC(=O)Nc3sc4c(c3C#N)CCCC4)nc2n1 5483565 URXQXJKCOADEDL-UHFFFAOYSA-N 366.450 2.734 30 40 FFEB COC(=O)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccccc2)cc1 5517319 XXVYEEDFUOWRAJ-QGZVFWFLSA-N 350.374 2.984 30 40 FFEB C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(c2nnc3ccccn23)CC1 67443011 KFHUGPHXZXREAC-HNNXBMFYSA-N 374.448 2.808 30 40 FFEB N#Cc1c(N)sc2c1CCN(c1ncnc3c1cnn3-c1ccccc1)C2 9256846 CWQRWUBWUPAYFD-UHFFFAOYSA-N 373.445 2.894 30 40 FFEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(c2cccc(Cl)c2)CC1 84475262 DKXPNVGCKAHLRS-DNVCBOLYSA-N 362.905 2.905 30 40 FFEB N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3cnc4c(c3)CCCC4)C2)nc1 563787613 NWRFLLAZURZPQN-KRWDZBQOSA-N 363.421 2.912 30 40 FFEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1 102430915 YBXUBOBKPNKUHH-LFVOPCPISA-N 364.445 2.978 30 40 FFEB CCNC(=S)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 105060619 RLMVYIDFCKDNAV-YBFXNURJSA-N 358.423 2.992 30 40 FFEB N#CCn1c(COC(=O)c2cc3c(s2)CCC3)nc2ccccc2c1=O 5308519 PGFRDLAHBVYVNU-UHFFFAOYSA-N 365.414 2.827 30 40 FFEB COc1cc2c(cc1OC)/C(=C/C(=O)c1cccc([N+](=O)[O-])c1)NCC2 5425669 LKBDRBGSZCOGSE-WJDWOHSUSA-N 354.362 2.982 30 40 FFEB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)Nc1sccc1C#N 7656739 RTYXISAXELVMNP-UHFFFAOYSA-N 365.798 2.659 30 40 FFEB CCCCC(=O)OC1=C(C(C)=O)N(CC)S(=O)(=O)c2ccccc21 9306566 OSKHUWTXWMIVMD-UHFFFAOYSA-N 351.424 2.702 30 40 FFEB Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)c1cccc(C#N)c1 512562505 XEDQDJWCUZPMSC-IRXDYDNUSA-N 356.401 2.506 30 40 FFEB N#Cc1nccnc1O[C@@H]1CCN(C(=O)C2(c3cccs3)CCCC2)C1 225800651 XICZDWWYBBCUSE-CQSZACIVSA-N 368.462 2.901 30 40 FFEB Cc1ccccc1-c1nnc(S)n1/N=C/c1ccccc1OCC(=O)O 21188571 YWRIEODBSMLEPC-VXLYETTFSA-N 368.418 2.888 30 40 FFEB O=C1/C(=C2/CCCCN2)C(/N=C2\CCCCCN2)=NN1c1ccccc1 8132320 YCTRGPRAQVILML-VLGSPTGOSA-N 351.454 2.936 30 40 FFEB C=CCN(Cc1ccccc1)C(=O)Cc1c(C)nc(-c2ccccn2)[nH]c1=O 58105026 QIFIYEWGZYISAR-UHFFFAOYSA-N 374.444 2.898 30 40 FFEB CCOC(=O)[C@@]1(C(F)(F)F)N=C(C)OC(N=C(SC)SC)=N1 4207761 RNLXYNCLMGJQIJ-SNVBAGLBSA-N 357.379 2.695 30 40 FFEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1c(C)cccc1C 5338814 KRSNXWFYRSSFDA-LKXWOGMASA-N 366.508 2.705 30 40 FFEB CN(C(=O)COC(=O)Cc1c[nH]c2ccccc12)C1(C#N)CCCCC1 5401760 DOFSJMQCLJIXJW-UHFFFAOYSA-N 353.422 2.938 30 40 FFEB C=CCNC(=O)CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 409193445 CVFNQIGYJAJBMB-UHFFFAOYSA-N 350.484 2.532 30 40 FFEB CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1 36638715 DARCDLGFGWROTN-NRLKNGLESA-N 366.508 2.643 30 40 FFEB CC(C)NS(=O)(=O)c1ccc(C(=O)OCc2ccc(C#N)cc2)cc1 14066313 YCIJLDFNQMXRIL-UHFFFAOYSA-N 358.419 2.602 30 40 FFEB COc1cc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])ccc1OCC(=O)O 13350478 SCXKEZCHXZNCLO-SOFGYWHQSA-N 357.318 2.963 30 40 FFEB CCc1ncnc(N2C[C@H]3CN(c4ncc(C#N)cc4Cl)C[C@H]3C2)c1F 1888859493 FFSJAGSPVAKHJN-BETUJISGSA-N 372.835 2.671 30 40 FFEB CCSc1nn2c(Cl)c(C=O)c(=O)c(C#N)c2n1-c1ccccc1 680239 LJJNEOOPRMTMSM-UHFFFAOYSA-N 358.810 2.935 30 40 FFEB C#CCOc1c(CC=C)cc(C=C(C(=O)OC)C(=O)OC)cc1OCC 409064691 DOFDKAZSIRECGF-UHFFFAOYSA-N 358.390 2.555 30 40 FFEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc4c(c3)OCO4)C2(C#N)C#N)cc1 218163998 ARCRRCFZVYYDQH-ROUUACIJSA-N 366.398 2.697 30 40 FFEB CCc1nc(CN2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)cs1 56518906 VLJIHLYYTYBKCQ-UHFFFAOYSA-N 355.467 2.927 30 40 FFEB N#Cc1ccccc1NC(=O)CSc1nnc(COc2ccccc2)[nH]1 14152600 AHIMTQWTWVBBIQ-UHFFFAOYSA-N 365.418 2.986 30 40 FFEB CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccccc1C#N 6078760 SUDJKTXBWRUOLT-IUXPMGMMSA-N 357.435 2.529 30 40 FFEB Cc1cccc(OCC(=O)N[C@H]2CC[C@H](Oc3nccnc3C#N)CC2)c1 253394355 VRCRRVHBPYEHAT-WKILWMFISA-N 366.421 2.542 30 40 FFEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccccc1 19927897 AEIPTLWFWFNBJF-QGZVFWFLSA-N 354.406 2.810 30 40 FFEB Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c(C#N)c2c1CCCC2 20591238 VXRDJWJXFWUBGX-UHFFFAOYSA-N 350.422 2.696 30 40 FFEB CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl 101299354 KQTIDLDDQCRDPU-BREGNPSQSA-N 372.899 2.597 30 40 FFEB Cc1oc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c(C#N)c1C 57363690 MOEGYAKTALHZFS-UHFFFAOYSA-N 356.401 2.668 30 40 FFEB Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnnn2C(C)C)cc1 28149479 KUCRFQRZAUMLLM-CQSZACIVSA-N 358.471 2.990 30 40 FFEB COc1ccc(C(=O)/C=C/Nc2ccc(S(C)(=O)=O)cc2)cc1OC 44843767 GHPQYIYTFORWKT-ZHACJKMWSA-N 361.419 2.916 30 40 FFEB C=CCNC(=S)Nc1nc(N2CCCC2)cc(N2CCCC[C@@H]2C)n1 225923877 DAXUYUWUVHSHKX-AWEZNQCLSA-N 360.531 2.928 30 40 FFEB N#CC1(C(=O)N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)CCCC1 1565545944 SDLAURIFUNTGDB-UHFFFAOYSA-N 366.465 2.649 30 40 FFEB COc1ccc(-c2nnc(SCC(=O)N[C@](C)(C#N)C(C)C)o2)cc1 2624543 KYFIKIYVSAYTBV-QGZVFWFLSA-N 360.439 2.892 30 40 FFEB COc1cc(CC(=O)N/C(C)=C2\C(=O)C[C@@H]3[C@H]2C3(C)C)cc(OC)c1OC 100746130 SDIFUWDNVVAWBF-RNRVPZRVSA-N 373.449 2.890 30 40 FFEB biogenic CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1Cc2ccccc2C1 58232282 TVCWCPUYLQEUCH-UHFFFAOYSA-N 371.444 2.782 30 40 FFEB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC#N)n2CC 6174457 GYVWMHGSYQOEQJ-UHFFFAOYSA-N 352.485 2.702 30 40 FFEB COCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccco1 6238878 YQVSLRCZDASUFW-KRWDZBQOSA-N 371.389 2.903 30 40 FFEB CCOC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2ccccc2)NC(=O)N1 8718048 MALJCOXVROXLCD-INIZCTEOSA-N 350.374 2.741 30 40 FFEB C=CCSCCNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C 95385786 BFOVGNRUUBZVQM-UHFFFAOYSA-N 370.540 2.721 30 40 FFEB CCc1nc2n(n1)C[C@H](/N=C(/O)[C@@H]1CN(Cc3ccccc3)C[C@H]1C)CC2 329054303 XJUXJSRPDWXPTP-KBAYOESNSA-N 367.497 2.880 30 40 FFEB C[C@@H]1CC(C)(C)[C@@H](CNC(=O)C2(C#N)CCC2)[C@H]1NC(=O)C1(C#N)CCC1 609880584 VEOOTKVWHSIFGH-PMPSAXMXSA-N 370.497 2.657 30 40 FFEB Cc1c(OC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cccc1[N+](=O)[O-] 1318036074 LLPMBPVTBBJFTP-CQSZACIVSA-N 365.345 2.733 30 40 FFEB N#Cc1ccnc(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)c1 1888856602 GNFFSNNHJNJMQX-UHFFFAOYSA-N 356.380 2.885 30 40 FFEB CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl 101299357 KQTIDLDDQCRDPU-LTUGMUNRSA-N 372.899 2.597 30 40 FFEB C=CC[C@@]12C[C@H](OC1=O)[C@H]1[C@H](CC=C3CC4(CC[C@]31C)OCCO4)C2=O 104263397 HPJIPJBUJISTCO-GPEJODLCSA-N 358.434 2.943 30 40 FFEB COc1ccc(CN(C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1F 25867677 HHPMXTMXEVCQKA-QGZVFWFLSA-N 358.413 2.772 30 40 FFEB CCCOc1ccc(-c2nc(C#N)c(N3CCC(C(N)=O)CC3)o2)cc1 2234618 RMRIJGKQEZWFCV-UHFFFAOYSA-N 354.410 2.704 30 40 FFEB C=CCn1c(SCc2ccc(C(=O)O)cc2)nnc1-c1cnccn1 6317568 ZWJJMDFTUAHVCE-UHFFFAOYSA-N 353.407 2.912 30 40 FFEB N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)COc2ccc(F)cc2)CC1 14162664 LZABTTNWIHFZJA-IBGZPJMESA-N 371.387 2.753 30 40 FFEB COc1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C#N)c(OC)c1 9338806 CLYIBXNAXAHSFN-NSHDSACASA-N 370.365 2.923 30 40 FFEB CC(C)NC(c1ccc(N2CCCC2)cc1)=c1ccc(=C(C#N)C#N)cc1 19287796 HJDCJPMSDXYJTQ-UHFFFAOYSA-N 356.473 2.639 30 40 FFEB N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CC[C@@H]1Cc1ccccc1 72311989 RAWSORZWUFYHGX-HXUWFJFHSA-N 371.444 2.999 30 40 FFEB C#CCOc1c(Br)cc(C=O)cc1I 408852737 VXJSEKGVIPKAHE-UHFFFAOYSA-N 364.964 2.878 30 40 FFEB C=CCN1CCN([C@H](c2ccccc2)c2nnnn2CCC(C)C)CC1 19447027 LRGFCVWFGTVNTF-LJQANCHMSA-N 354.502 2.612 30 40 FFEB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)CS/C1=C/C(=O)C(C)(C)C 169900721 OOWUODDVSJZLQS-WOWRAWIFSA-N 352.500 2.808 30 40 FFEB C=CCn1c(=O)c(C(=O)Nc2ccc3c(c2)OCO3)c(O)c2ccccc21 12414634 IACYWFUACQEFFW-UHFFFAOYSA-N 364.357 2.874 30 40 FFEB C=CCc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(OC)c1O 105793530 VCHQEVFXPDISHW-BOPFTXTBSA-N 364.426 2.900 30 40 FFEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1cccc(O)c1 103885151 MVYKHPCANMRMMA-HVESIFNPSA-N 371.389 2.752 30 40 FFEB C=CCOc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 57124067 SJQDPBNAOPRAKX-UHFFFAOYSA-N 372.446 2.961 30 40 FFEB O=C(ON=C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 1403807 RYCSGHFUAYDPSJ-UHFFFAOYSA-N 358.419 2.684 30 40 FFEB COc1ccc(C/C(O)=N/S(=O)(=O)Cc2ccc(Cl)nc2)cc1F 58150765 AMGMWFKEUJTJNY-UHFFFAOYSA-N 372.805 2.912 30 40 FFEB N#Cc1ccccc1-c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)o1 409052740 AENXPNBSIMGDJA-GOWCMNBUSA-N 357.369 2.959 30 40 FFEB CN1/C(=C\C(=O)Cn2nnc3ccccc3c2=O)C(C)(C)c2ccccc21 5689221 DVMLXGNDYNVPCE-UNOMPAQXSA-N 360.417 2.672 30 40 FFEB COc1cc(/C=C2\C(=O)N(CCC#N)N=C2C)c(Br)cc1O 5910751 AHCGBWORFAKYDF-WDZFZDKYSA-N 364.199 2.678 30 40 FFEB CN(CC(=O)Nc1ccccc1Cl)C(=O)COc1cccc(C#N)c1 7006362 FPNRUBHLHOGANE-UHFFFAOYSA-N 357.797 2.688 30 40 FFEB C=CCNC(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 409024253 IMWYTARIJIJDMB-UHFFFAOYSA-N 358.463 2.747 30 40 FFEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1cc([N+](=O)[O-])ccc1Cl 409183768 SQAZGQMWEYHIIL-RPKHUMDUSA-N 359.769 2.779 30 40 FFEB C=CCN(C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccccc1 67870646 QCPRXQFKHKKVOD-JENIJYKNSA-N 358.555 2.801 30 40 FFEB biogenic,in-vitro CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C[C@]12O[C@H]1[C@@H](O)C(CO)=C[C@H]2O 35457258 VBZYLQJSPMDPOO-VQOKRXFTSA-N 362.510 2.967 30 40 FFEB biogenic,in-vitro COC(=O)/C=C/c1cn(CCC#N)nc1-c1ccc(OC)c([N+](=O)[O-])c1 71195165 QWRVYCUQWINFBG-FNORWQNLSA-N 356.338 2.567 30 40 FFEB CC(C)CS(=O)(=O)C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 96374479 RXOSKTNYCVNRKM-UHFFFAOYSA-N 362.495 2.553 30 40 FFEB N#CCOc1ccc(-c2ccnc3nc(N4CCCCC4)[nH]c(=O)c23)cc1 19819845 GLSGITHTHWSDIW-UHFFFAOYSA-N 361.405 2.878 30 40 FFEB C=CCN1CCO[C@H]2CN(C(=O)c3cccc(OC(C)C)c3)CC[C@H]2C1 1565550767 FASDWJALOOEXSJ-ICSRJNTNSA-N 358.482 2.823 30 40 FFEB C=CCN1C(=O)N[C@@H](c2ccccc2OC(F)F)C(C(=O)OC)=C1C 7550927 NMLFTJKGPRERAK-AWEZNQCLSA-N 352.337 2.987 30 40 FFEB O=C1C(=O)N(c2ncccn2)[C@@H](c2cccs2)/C1=C(\O)c1ccco1 102701870 ODSNKCFEZOWWHR-REQDGWNSSA-N 353.359 2.757 30 40 FFEB N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)o1 58178265 JZJAJDMRJQCERE-OAHLLOKOSA-N 351.406 2.697 30 40 FFEB COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C#N)c2)cc1OC 12820647 IVPRXXOIVFVQPA-UHFFFAOYSA-N 371.349 2.753 30 40 FFEB CCOc1cccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)c1 408742639 XHPBSGOOGWLBHD-DDLUMYACSA-N 367.430 2.852 30 40 FFEB O=C1N/C(=N/N=C/c2ccccc2)S[C@H]1Cc1ccccc1[N+](=O)[O-] 18192689 YDODFSWGFLYADU-LZNAANCOSA-N 354.391 2.759 30 40 FFEB Cc1nc2c3c(ncn2n1)OC1=C(C(=O)CC(C)(C)C1)[C@@H]3c1cccnc1 5345267 FJZUAWMUENRECM-HNNXBMFYSA-N 361.405 2.995 30 40 FFEB COc1ccc(-n2ccnc2SCC(=O)N[C@@](C)(C#N)C2CC2)cc1 6589774 XLYUPTFUYCXPCR-SFHVURJKSA-N 356.451 2.781 30 40 FFEB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cccc(C#N)c1 5559195 FBRSSPYCLJFWMI-UHFFFAOYSA-N 372.222 2.998 30 40 FFEB C=CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225003490 JXHRZMWRUGVUJS-UHFFFAOYSA-N 362.363 2.705 30 40 FFEB O=S(=O)(/C=C/c1ccccc1)NCC#CCN1CCc2ccccc2C1 75165090 PTKBUAOVWFQSDX-GHRIWEEISA-N 366.486 2.638 30 40 FFEB C=CCn1c(C)cc(C(=O)Cn2c(NCCO)nc3ccccc32)c1C 49874850 VGFGHUJFWMHSPK-UHFFFAOYSA-N 352.438 2.928 30 40 FFEB N#Cc1cccnc1N1C[C@@H]2CN(c3ncnc4ccc(F)cc34)C[C@H]2C1 2086866184 OZPXBSIUYCJKBS-HUUCEWRRSA-N 360.396 2.608 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 33161401 CXYGCIRKLHMHPF-GOSISDBHSA-N 367.380 2.873 30 40 FFEB C[C@@]1(C(=O)NC(=S)N(CCC#N)Cc2cccnc2)CC1(Cl)Cl 3259158 QSOSSPMYMQHVQZ-AWEZNQCLSA-N 371.293 2.782 30 40 FFEB N#Cc1c(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)sc2c1CCC2 102440344 YPVRZIGCXZWFCB-BETUJISGSA-N 371.462 2.612 30 40 FFEB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 102950674 PMDVJBCHLSORHM-DQBCVGTNSA-N 364.427 2.632 30 40 FFEB N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1ccc(N2CCCCC2=O)cc1 103503931 BXXXCMDDXGEPNO-SFHVURJKSA-N 367.449 2.975 30 40 FFEB N#Cc1ccc(NC(=O)CN2CCN(c3ccccc3O)CC2)cc1Cl 58121525 ZKQUGICNSOHMBK-UHFFFAOYSA-N 370.840 2.678 30 40 FFEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc(Cl)c(O)c1 408740523 LHJYJZJFANPFBL-BFNDQCEFSA-N 373.821 2.812 30 40 FFEB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NN=C1CCCC1 5158377 VRWDBXXRBWUOIO-UHFFFAOYSA-N 352.416 2.721 30 40 FFEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cccc(Br)c1)[C@H]1C=C[C@@H]2C12CC2 4474992 DFIHFGBEVIWCDN-BHPARCMQSA-N 371.234 2.980 30 40 FFEB N#C[C@]1(CO)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218506620 PMDUAGOOQXJPRP-IKGGRYGDSA-N 365.813 2.921 30 40 FFEB CNC(=O)COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC 40139746 ZUEFEDKSKIMZAY-XVNBXDOJSA-N 361.344 2.994 30 40 FFEB CCOC(=O)/C(=C\N)C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl 145523429 PMCUHASZJOVMIZ-XQRVVYSFSA-N 351.117 2.629 30 40 FFEB N#Cc1c[nH]c(=Nc2cccc([C@H]3CCCN3Cc3cn[nH]c3)n2)s1 585293808 MHHIOPIMXXQVSK-OAHLLOKOSA-N 351.439 2.635 30 40 FFEB CC(C)(C)OC(=O)N1CC(c2nc(B3OC(C)(C)C(C)(C)O3)cs2)C1 1615812315 PEXOIHRJUAODIX-UHFFFAOYSA-N 366.292 2.777 30 40 FFEB CCn1nnc2cc(C(=O)O[C@@H](C)C(=O)Nc3cccc(C#N)c3)ccc21 5805114 VKMFYRVPMWAGSJ-LBPRGKRZSA-N 363.377 2.507 30 40 FFEB CCOC(=O)c1c(C)oc2ncn(Cc3ccc(C#N)cc3F)c(=O)c12 29891936 RTOKWVKWVBUPIL-UHFFFAOYSA-N 355.325 2.534 30 40 FFEB COc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C)nn32)c(OC)c1 22608098 WHVLAOQBCZODTB-MGNBDDOMSA-N 354.410 2.872 30 40 FFEB N#Cc1ccc(CN(Cc2cccc(F)c2)c2ccc3nnnn3n2)cc1 40149424 RQMCEXQMEGGWMO-UHFFFAOYSA-N 359.368 2.737 30 40 FFEB C=CCn1c(SCc2nc(N)nc(N(C)C)n2)nnc1C1CCCCC1 11321250 VERDIHHEOOXWQE-UHFFFAOYSA-N 374.518 2.637 30 40 FFEB CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1 102787685 DZNUFNQMRUNHGK-OBGWFSINSA-N 363.464 2.813 30 40 FFEB Cc1ccc(C(=O)NCCn2c(N)c(C#N)c3nc4ccccc4nc32)cc1 2252109 VOZQQZHMIYXGIT-UHFFFAOYSA-N 370.416 2.777 30 40 FFEB aggregator N#Cc1ccc(OC[C@H](O)CSc2nc(N)c3ccsc3n2)cc1 58453159 FXAMCTOFQFKKKB-NSHDSACASA-N 358.448 2.677 30 40 FFEB C=CCc1ccccc1OC[C@H](O)CN1CCN(c2ccccc2)CC1 20805954 JTFGCEVZUXFNIO-OAQYLSRUSA-N 352.478 2.977 30 40 FFEB C=CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1OC 5042758 MOPYKNXNQRNQKN-QGZVFWFLSA-N 360.410 2.840 30 40 FFEB C=CCOc1ccc([C@H](c2c(O)n[nH]c2C)c2c(C)nn(C)c2O)cc1 409003120 DOWQZNOVJOFQPN-QGZVFWFLSA-N 354.410 2.916 30 40 FFEB Cc1ccc(C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)cc1[N+](=O)[O-] 7035885 CXRYJGPZQCSMFE-UHFFFAOYSA-N 359.382 2.745 30 40 FFEB O=C1[C@@H]2[C@H](C(=O)N1/N=C/c1cc3c(cc1Cl)OCO3)[C@H]1C=C[C@H]2C12CC2 408728570 OWZVTKHIRDPNCY-HTKNSJFCSA-N 370.792 2.600 30 40 FFEB COc1ccccc1N1CCO[C@@H]1c1cn(Cc2cccc(C#N)c2)nn1 216763388 SUKZVVZDCWENAT-HXUWFJFHSA-N 361.405 2.742 30 40 FFEB N#C[C@@H]1C(=O)Nn2c(c(-c3ccccc3)[nH]c2=N)[C@@H]1c1ccc(Cl)cc1 618257298 UNDPHQIIQMHCMN-LSDHHAIUSA-N 363.808 2.971 30 40 FFEB C=CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN1C(C)=O 19696465 ZLPSFSSITSBSRG-FQEVSTJZSA-N 353.422 2.567 30 40 FFEB CC1(C)CC(=O)C2=C(C1)OC(=O)[C@@]2(NC(=O)c1cccs1)C(F)(F)F 2492571 RCXOAJGQNHFULH-OAHLLOKOSA-N 373.352 2.979 30 40 FFEB Cc1cccc(N2/C(=N\C(=O)C(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 101312351 GQXSFVCKKRVXRC-QJGXAYKQSA-N 366.508 2.643 30 40 FFEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1 102494129 JOSBVQBWPCMIGR-GHNGSUTGSA-N 350.418 2.670 30 40 FFEB O=C(ON1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O)c1ccncc1 103624730 IHVRXORJYPFYAP-UHFFFAOYSA-N 363.285 2.511 30 40 FFEB COC(=O)c1cc(C#N)c(=O)n(CC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1 12864017 AMEKPINLECEOCZ-IAOVAPTHSA-N 374.437 2.511 30 40 FFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCCN4CCCC4=O)[C@H]3C[C@H]12 4028598 NWNADTATLWRPLF-ACMVSEJYSA-N 374.525 2.903 30 40 FFEB biogenic N#CCCN(C(=O)CSc1ccccn1)c1ccc2c(c1)OCCO2 7700035 HALZUSPFLQRACK-UHFFFAOYSA-N 355.419 2.892 30 40 FFEB C[C@@H](Sc1n[nH]c(N)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 8156319 RFJFUULJRPODHH-MRVPVSSYSA-N 362.484 2.708 30 40 FFEB Cc1nnccc1N=C(O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 330141349 XQDRRCLEKGFIPD-CQSZACIVSA-N 355.446 2.528 30 40 FFEB COc1ccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccccc3)S2)cc1 6027297 XMXYJEHQTCXVCX-HNNXBMFYSA-N 355.419 2.943 30 40 FFEB COc1ccc(OC)c2c1CN(CCCOc1ccc(C#N)cc1)C[C@@H]2O 40120249 FOISDKRUMXNIHQ-SFHVURJKSA-N 368.433 2.894 30 40 FFEB Cc1ccc(C)c(N2/C(=N\C(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c1 101313039 NFLNFSLHTLPIAC-YTRIFDNDSA-N 366.508 2.561 30 40 FFEB Cc1ccccc1C(=O)/C(C#N)=N/Nc1c(C)n(C)n(-c2ccccc2)c1=O 8829645 ZGTYKJNHZXTCBG-PTGBLXJZSA-N 373.416 2.967 30 40 FFEB C#CCNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F 24831168 PXBLSAMTYPTNFV-UHFFFAOYSA-N 362.233 2.668 30 40 FFEB CCc1cc(N[C@@H]2CCS(=O)(=O)C2)n2c(nc3ccccc32)c1C#N 5267764 FYVDTGNHCAFOMU-CYBMUJFWSA-N 354.435 2.521 30 40 FFEB N#Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)ccc1Cl 9478482 CZZYOGLILAKDGV-UHFFFAOYSA-N 361.810 2.897 30 40 FFEB C=CCOc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1OCC 409364642 XSQASENGDYYAAJ-UHFFFAOYSA-N 365.389 2.948 30 40 FFEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)c(F)c1 32635405 JUXDGROOCZMEKO-KRGDBVFUSA-N 370.471 2.536 30 40 FFEB N#CCOc1ccccc1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 409089083 LSVAYLRQPMSLGO-NWFCWYBLSA-N 360.460 2.969 30 40 FFEB N#Cc1cccc([C@@H](Nc2ccc3c(c2)N=C(O)CO3)P(=O)(O)O)c1 328593094 DJPTYKHMZDBLOB-INIZCTEOSA-N 359.278 2.827 30 40 FFEB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC#N)cc1 11236690 XPMIVSPTWURSRM-UHFFFAOYSA-N 360.391 2.566 30 40 FFEB C#CCn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])sc2cccc(OC)c21 100910329 KSEIORQWHZWZMR-HNENSFHCSA-N 367.386 2.994 30 40 FFEB COc1cc2s/c(=N\C(=O)c3ccc(C#N)cc3)n(C)c2cc1OC 101035597 LAIDSLPLLXUAFZ-ZZEZOPTASA-N 353.403 2.870 30 40 FFEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 104016433 HXKXEQAHBYCKEO-IBOXJLQUSA-N 352.346 2.955 30 40 FFEB CC(C)C(=O)Nc1cccc(CNC(=O)CNc2ccc(C#N)cc2)c1 40158610 XNITYRVHDLGRCP-UHFFFAOYSA-N 350.422 2.881 30 40 FFEB CCCc1cc(N2CCN(CC#N)CC2)n2ncc(-c3ccccc3)c2n1 20590313 WIVIMFCQSBXVTQ-UHFFFAOYSA-N 360.465 2.994 30 40 FFEB COc1cccc([C@H]2O[C@]3(C)OC(=N)[C@](C#N)([C@H]3C)C2(C#N)C#N)c1OC 101007417 JSIXCCUXPRCOEI-FNMLVEFPSA-N 366.377 2.678 30 40 FFEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1cccc(OC)c1 102718735 GANXUBSEJHHFSG-HVESIFNPSA-N 371.389 2.746 30 40 FFEB CCOc1cc(/C(O)=N/S(=O)(=O)c2cccc(C#N)c2)ccc1OC 48598620 YYXNHVRXOLMOLH-UHFFFAOYSA-N 360.391 2.659 30 40 FFEB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(C#N)cc2)cc1 5279572 IZMTZWBPUKYHHD-UHFFFAOYSA-N 371.462 2.519 30 40 FFEB CC1(C)Cc2c(C#N)c(SCCC#N)nc(N3CCOCC3)c2CO1 19707814 PDSBPJZAARTPJZ-UHFFFAOYSA-N 358.467 2.647 30 40 FFEB COc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1OC(C)C 409408662 YZTWYBBVMKNSST-DFEHZGFQSA-N 354.406 2.623 30 40 FFEB COc1ccc2c(ccn2CCN/C=C2/C(=O)Oc3ccccc3C2=O)c1 1547201066 UACVQHAHQNDDDA-GHRIWEEISA-N 362.385 2.925 30 40 FFEB N#Cc1cccc(N2C[C@@]3(CCN(C(=O)c4ccsc4)C3)CC2=O)c1 96238897 BCNWJPLHZZLMDD-IBGZPJMESA-N 351.431 2.889 30 40 FFEB C=C1C(=O)O[C@H]2C=C(C)C[C@H]3C=C(C[C@@H](OC(=O)/C(C)=C\C)[C@H]12)C(=O)O3 1077996499 FTPHYXGWMIZVMP-JGIQZCTDSA-N 358.390 2.554 30 40 FFEB biogenic CC(C)(C)OC(=O)N1CCn2nc(NC(=O)c3csc(C#N)c3)cc2C1 1134195551 ZINIHVQTLVXZAL-UHFFFAOYSA-N 373.438 2.819 30 40 FFEB NC(=S)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 1104246 DQZOVCOMUFVYKX-DJKKODMXSA-N 362.842 2.525 30 40 FFEB COc1cc(/C(C)=N/n2c(C)cc(C)c(C#N)c2=O)cc(OC)c1OC 5212300 MVBWVYGEHLRTSB-FYJGNVAPSA-N 355.394 2.635 30 40 FFEB CCc1ccc(-n2nnnc2C/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1 4369050 UHJCYXUVQGYEJU-LDADJPATSA-N 351.370 2.773 30 40 FFEB Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)o1 19216347 UBWHMWJFXWIAQG-KRWDZBQOSA-N 354.406 2.728 30 40 FFEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccccn1 102866903 RZJUYHXRHASIOL-UYTDBDHRSA-N 371.462 2.517 30 40 FFEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1coc3ccc(Cl)cc3c1=O)[C@H]1C=C[C@H]2C1 104450503 SWRGUJZIXKHOAA-BDOORGHKSA-N 368.776 2.587 30 40 FFEB O=C(/C=C/c1ccc2c(c1)OCO2)C[C@]1(O)C(=O)Nc2ccc(Cl)cc21 1163225 IKDGZBPSXNMNSR-GYPUDXTBSA-N 371.776 2.881 30 40 FFEB COc1ccc(/C=N\N2CCN(/N=C\c3ccc(OC)cc3)CC2)cc1 31670190 WTHMMTXVAIRSAJ-BMJUYKDLSA-N 352.438 2.689 30 40 FFEB Cc1c(/C(O)=N/S(=O)(=O)c2ccc(C#N)cc2)oc2c1C(=O)CCC2 48504084 ZBGPSDARZOBORO-UHFFFAOYSA-N 358.375 2.672 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(OC)cc1 6786382 XUSZYBUHWHXQDN-INIZCTEOSA-N 357.362 2.513 30 40 FFEB Cc1cc(C)c2nc(N=C3NCN(Cc4ccco4)CN3)nc(C)c2c1 19330413 YONNPZJSMHVSEF-UHFFFAOYSA-N 350.426 2.746 30 40 FFEB CCOc1cccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)c1 408742640 XHPBSGOOGWLBHD-DORSJAEJSA-N 367.430 2.852 30 40 FFEB O=c1c2ccccc2ncn1/N=C/c1ccc(Br)c([N+](=O)[O-])c1 409209283 FELWPUZJQYDTOO-QGMBQPNBSA-N 373.166 2.949 30 40 FFEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)cc1 32504498 UNEGKNLCVJCBKL-YTRIFDNDSA-N 366.508 2.787 30 40 FFEB CC1=NN(C(=O)COc2ccccc2C#N)[C@](O)(c2ccc(F)cc2)C1 408564187 VXWQWGSGZOEVKB-LJQANCHMSA-N 353.353 2.530 30 40 FFEB N#Cc1ccc(Cn2c(=O)nc3n2C(=O)N(c2ccc(Cl)cc2)C3)cc1 40266699 JSUHJKPAYLDURN-UHFFFAOYSA-N 365.780 2.606 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1c(O)ccc2ccccc12 222245999 QQRCACCILUTOLS-KMAHGQPCSA-N 358.397 2.932 30 40 FFEB N#Cc1ccc(CN2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)cc1 585500200 DEZCGSBDBYBQQY-UHFFFAOYSA-N 362.477 2.906 30 40 FFEB N#Cc1cccc(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)n1 2298047873 DASXRILNTCVEOW-UHFFFAOYSA-N 356.380 2.885 30 40 FFEB CCOc1ccc(C(=O)NCC(=O)OCc2ccc(C#N)cc2F)cc1 11316382 GAAUIVFVOSHPBA-UHFFFAOYSA-N 356.353 2.569 30 40 FFEB N#Cc1ccnc(N2CCN(C(=O)NCc3cccc4cccnc34)CC2)c1 68841621 VXJCCGJJCFTITD-UHFFFAOYSA-N 372.432 2.533 30 40 FFEB O=C1/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCCO4)Oc2cc(O)ccc21 32501391 YECOSIRRIVKGOZ-WSVATBPTSA-N 363.325 2.621 30 40 FFEB COc1ccc2cc(C[C@@H](C#N)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 9708993 GCUISVOKXDYXLY-AWEZNQCLSA-N 365.364 2.997 30 40 FFEB CC1=C2[C@H]3OC(=O)[C@@H](CN4C[C@@H](C)O[C@H](C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O 20114040 GDXMPYQBACNJOM-JTKHRPSLSA-N 359.466 2.509 30 40 FFEB CN(C)/C=N\c1ccc(S(=O)(=O)c2ccc(/N=C/N(C)C)cc2)cc1 100701520 XTFUZNKOLZFZEW-LRVMPXQBSA-N 358.467 2.962 30 40 FFEB CCn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccncc1 3303967 GLJXDFVBILZTTB-UHFFFAOYSA-N 364.434 2.962 30 40 FFEB CC/N=C(/S)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 13637299 MNJSYNALINUPEQ-UHFFFAOYSA-N 365.484 2.612 30 40 FFEB Cc1cc(C)n2nc(S[C@H](C)C(=O)Nc3cccc(C#N)c3)nc2n1 4523579 LRJCBWVHXCIZEC-GFCCVEGCSA-N 352.423 2.732 30 40 FFEB COc1ccc(-n2ccc(/C(O)=N/S(=O)(=O)c3ccc(C)cc3)n2)cc1 65763156 KTILBEZBCWUCQG-UHFFFAOYSA-N 371.418 2.883 30 40 FFEB CCCOc1nc2ccccc2nc1[C@@H](C#N)C(=O)NCc1ccco1 5452280 UQBGIYGKUZFFDB-CQSZACIVSA-N 350.378 2.935 30 40 FFEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1O[C@H](C)C(=O)O 409013126 SVIJQOCVMPPSMG-VDCVXVNISA-N 359.338 2.901 30 40 FFEB COc1ccc(OC)c(/C=C/C(=O)c2ccc(NS(C)(=O)=O)cc2)c1 81217846 QAJVSMVUZBUYMG-UXBLZVDNSA-N 361.419 2.971 30 40 FFEB C[C@@H](NC(=O)N1CCC(CC#N)CC1)c1ncc(Br)cn1 570350965 ZFJSZDXZZBWOEO-SNVBAGLBSA-N 352.236 2.635 30 40 FFEB N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2ccc3ncsc3c2)C1 225479933 SMCWJTKHPXJROK-CYBMUJFWSA-N 365.418 2.642 30 40 FFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@]2(C#N)C(=O)O)cc1 242522151 IJMPGUAVXGJYOI-JZXOWHBKSA-N 359.378 2.668 30 40 FFEB C(#CCN1CCN(c2ccccc2)CC1)COC1CCN(C2CCC2)CC1 1889116572 MAOZAAQDWUOHIF-UHFFFAOYSA-N 367.537 2.846 30 40 FFEB C=CCn1c(SCC(=O)N[C@](C)(C#N)C(C)C)nc2ccccc2c1=O 2639193 RBOYFPNHENJFLB-LJQANCHMSA-N 370.478 2.729 30 40 FFEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccc(OC)cc1 103931698 HRFOBQXSAQSZAR-HVESIFNPSA-N 371.389 2.746 30 40 FFEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[nH]c(=O)c1[C@H]2c1ccccc1Cl 1431732 VVYJNZDCVWUHRU-ZDUSSCGKSA-N 371.824 2.917 30 40 FFEB Cc1cccc(NC(=O)C2CCN(CCOc3ccccc3C#N)CC2)n1 58163376 MRDXTWZNOWYZRP-UHFFFAOYSA-N 364.449 2.991 30 40 FFEB Cc1ccc(NC(=O)CN(C)[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1 12916165 GBXZGJIWMJCKKN-MRXNPFEDSA-N 356.470 2.597 30 40 FFEB CC1CCN(c2nc(NC[C@H]3CCCO3)c3c(c2C#N)CCN(C)C3)CC1 13540811 BTAFBXBQTFVWMG-MRXNPFEDSA-N 369.513 2.768 30 40 FFEB N#Cc1ccc(CSc2nnc(COc3ccccc3F)n2N)cc1 7814652 YFLDSXLBFBGSEI-UHFFFAOYSA-N 355.398 2.874 30 40 FFEB C=CCOc1cc(N(C)C)ccc1C=Nn1c(O)nc2ccccc2c1=O 409357473 JEFDHCSCMQARJZ-UHFFFAOYSA-N 364.405 2.615 30 40 FFEB Cc1noc(N)c1C(=O)OCC(=O)/C=C1\N(C)c2ccccc2C1(C)C 61802461 WBOAGAYJJOWBOJ-DHDCSXOGSA-N 355.394 2.603 30 40 FFEB C[C@H](C(O)=Nc1nncn1C1CC1)N1CCN(c2ccc(F)cc2)CC1 329130478 WZVNRXSVSYZKFT-CYBMUJFWSA-N 358.421 2.551 30 40 FFEB C=CCN1C(=O)CCC[C@]12CCCN(S(=O)(=O)c1cccc(C)c1)C2 96229968 ANEWTRGLWNLWQP-LJQANCHMSA-N 362.495 2.717 30 40 FFEB N#Cc1ccccc1NC(=O)C(=O)NCCCn1ccnc1-c1ccccc1 96096575 XXOYOXMEFSUWKT-UHFFFAOYSA-N 373.416 2.567 30 40 FFEB CC1=NN(C(=O)c2cccnc2)[C@@](O)(C(F)(F)C(F)(F)C(F)(F)F)C1 5296647 XMWNTXNDTXNADR-JTQLQIEISA-N 373.228 2.825 30 40 FFEB COc1ccccc1/C=N\N=C1\NC(=O)[C@@H](Cc2ccc(F)cc2)S1 4866431 KRALAFVFXGMXQM-IWEBCOIVSA-N 357.410 2.999 30 40 FFEB C=C(Cl)COC(=O)[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(C)C 32667934 FQJREPAHCAEGMF-BOLDSZDNSA-N 357.859 2.897 30 40 FFEB C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c1C 9495485 KNGKGNXAIKOQOC-LJQANCHMSA-N 355.394 2.534 30 40 FFEB N#Cc1ccc(CN2CCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)cc1 22357623 VIUZOXBUEPQHSB-UHFFFAOYSA-N 371.444 2.702 30 40 FFEB COC(=O)[C@]1(C)CCC[C@@]2(C)C3=C[C@H](O)[C@]4(C(C)C)O[C@H]4[C@@]3(O)CC[C@@H]12 103886233 PLTJWYBYCUOFOL-JUGXNDMDSA-N 364.482 2.592 30 40 FFEB Cc1c(C#N)c(NC(=O)CN2CCO[C@@H](C)C2)n(Cc2ccccc2)c1C 24014653 NDQMFZFCZTXUDB-HNNXBMFYSA-N 366.465 2.684 30 40 FFEB N#Cc1ccc(CN2CCN(C(=O)c3ccc(Br)o3)CC2)cc1 17843310 JLLKDWZWXWKCHB-UHFFFAOYSA-N 374.238 2.872 30 40 FFEB Cc1nnc(=O)[nH]c1N/N=C/c1ccccc1OCc1ccccc1F 4422697 ZBOZGPSPQMUCCS-KEBDBYFISA-N 353.357 2.637 30 40 FFEB COc1cc(C(=O)OCC(=O)NCCC#N)cc(Cl)c1OCC(C)C 9920765 JIYMTXMRCBSRFI-UHFFFAOYSA-N 368.817 2.570 30 40 FFEB Cc1onc(CC(=O)N2CCOC[C@@H]2c2nc3ccccc3s2)c1C#N 619730849 BCSBIERUPJIIQD-OAHLLOKOSA-N 368.418 2.607 30 40 FFEB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN2/C=C/C(=O)C(F)(F)F)c1 4119698 KBIJSPCBIDVVHR-KGXGESDWSA-N 354.328 2.937 30 40 FFEB CSc1c(C#N)c(N)nc2c(/N=N/c3ccc(C(=O)O)cc3)c(N)nn12 4281130 IYVKTRQDGABXJJ-QZQOTICOSA-N 368.382 2.601 30 40 FFEB Cc1ccc(S(=O)(=O)Nc2ccccc2-n2ncc(C#N)c2N)cc1C 24578327 PCASDVDZHPLMHF-UHFFFAOYSA-N 367.434 2.744 30 40 FFEB O=C1Nc2ccccc2/C1=N/N=C1\NC(=O)/C(=C\c2cccs2)S1 226761525 ZMHPDOGWIZYVCN-XYOKQWHBSA-N 354.416 2.664 30 40 FFEB Cc1cc(SCC(=O)N2CCOCC2)n2c(nc3ccccc32)c1C#N 3292322 VGKBHDWFLMMWRQ-UHFFFAOYSA-N 366.446 2.619 30 40 FFEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(N3CCCCC3)o1)[C@H]1C=C[C@@H]2C12CC2 4851738 WIMVPYBEPMZMEC-LOHVYNMOSA-N 365.433 2.801 30 40 FFEB Cc1cccc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1C 6628191 JGSXFZBKZFNWID-UHFFFAOYSA-N 355.463 2.686 30 40 FFEB Cc1nc(C2(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)CCCC2)no1 59829214 XBPDWDLHHCWCCP-UHFFFAOYSA-N 366.830 2.651 30 40 FFEB O=C1Nc2cc([N+](=O)[O-])ccc2N/C1=C\C(=O)c1cccc([N+](=O)[O-])c1 104237994 BIMBMWKDNPTBOR-ZSOIEALJSA-N 354.278 2.634 30 40 FFEB C/C(=N\N=C\c1ccc(C(C)C)cc1)c1nnn(-c2nonc2N)c1C 1058789 UVGOUYRYIBQVBX-VQCWNDBCSA-N 352.402 2.507 30 40 FFEB CCOC(=O)/C(=N\Nc1ccccc1Cl)N(C)C1CCN(C)CC1 25325894 RSIOOLKAZPFXOJ-CAPFRKAQSA-N 352.866 2.655 30 40 FFEB CCN(C[C@H](O)COc1ccc(C#N)cc1)[C@@H](COC)Cc1ccccc1 107067130 JWMSSXWFSFPMTJ-RTWAWAEBSA-N 368.477 2.878 30 40 FFEB CCc1ccc(-n2c(=C(C#N)C#N)s/c(=C\c3ccsc3)c2=O)cc1 96793299 FLRUMYCYSBAHLL-MFOYZWKCSA-N 363.467 2.550 30 40 FFEB CC(=O)Oc1ccc2ccccc2c1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409408793 RPAFOMQHMOUROR-HZVDNRATSA-N 374.396 2.906 30 40 FFEB C=CCOc1ccc(/C=C/C(=O)N2CCC(C(=O)OC)CC2)cc1OC 48331455 DGIXLMVQRJKPPA-SOFGYWHQSA-N 359.422 2.685 30 40 FFEB Cc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N/N=C\c3ccco3)S2)cc1 13142457 DNLLHOPMMOFRON-KPYNCUPYSA-N 356.407 2.538 30 40 FFEB O=C(C[C@H]1S/C(=N\CCc2ccccc2)NC1=O)Nc1ccc(F)cc1 2631083 IBAZALCKKGKJHA-MRXNPFEDSA-N 371.437 2.985 30 40 FFEB N#Cc1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1Cl 5652039 NQJKJXRTGDKVGX-UHFFFAOYSA-N 370.825 2.918 30 40 FFEB CCc1cc(N2CCN(c3ccc(C#N)cn3)CC2)nc(C(C)(C)C)n1 1888860191 UDTULLCJECBXHX-UHFFFAOYSA-N 350.470 2.930 30 40 FFEB O=C1Nc2cc([N+](=O)[O-])ccc2N/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1 103714429 RPOSXGCRUIHYBU-RIYZIHGNSA-N 354.278 2.634 30 40 FFEB CCOc1cc(C#N)ccc1O[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 32945480 TUMITZYGOKYKLN-ZDUSSCGKSA-N 368.389 2.769 30 40 FFEB C#Cc1cccc(NC(=O)CN(C)C(=O)CCc2ccc(OC)c(F)c2)c1 47194540 KCCSEUCGDIEWDZ-UHFFFAOYSA-N 368.408 2.845 30 40 FFEB C/C(=N\Nc1ncnc(N)c1[N+](=O)[O-])c1ccc(Br)cc1 5446992 WJTNAAYPGUMFDF-REZTVBANSA-N 351.164 2.566 30 40 FFEB C=CCOc1cccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c1 222415083 WUYNCOAYVIVXEW-UHFFFAOYSA-N 360.435 2.900 30 40 FFEB CCCNS(=O)(=O)c1cc(C(=O)Nc2cccc(C#N)c2)ccc1OC 222921718 GVZKIHNNFJRWCF-UHFFFAOYSA-N 373.434 2.507 30 40 FFEB N#Cc1cnn2c(O)cc(CN3CCSC[C@@H]3c3ccccc3)nc12 1652516540 XRRKIZZJXZINEJ-MRXNPFEDSA-N 351.435 2.597 30 40 FFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc2c(c1)OCCO2 17860258 HUGFGFRYUTWLAK-UHFFFAOYSA-N 363.373 2.952 30 40 FFEB COc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2CCOCC2)C1=O 22625730 KYMDMVCYMCWPFC-UNOMPAQXSA-N 367.401 2.849 30 40 FFEB C#CCn1/c(=N/C(=O)[C@H]2COc3ccccc3O2)sc2cccc(F)c21 100877879 JIGYCPUAKIJRNL-DSGGYQJVSA-N 368.389 2.742 30 40 FFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1cc(=O)n2ccccc2n1 18960215 WHWZEALBVRHINA-UHFFFAOYSA-N 374.356 2.615 30 40 FFEB C=CCN1C(=O)N/C(=C/c2ccc(OCC)c(Br)c2)C1=O 409139198 BGXRNXUWCWBNST-FMIVXFBMSA-N 351.200 2.927 30 40 FFEB N#Cc1cccnc1-n1cc(NC(=O)N2CCC[C@H]2[C@@H]2CCCOC2)cn1 566186635 HSLYIFPWEKVIRP-WBVHZDCISA-N 366.425 2.562 30 40 FFEB C[C@H]1CN(C[C@@H]2C(=O)O[C@@]34[C@@H](CC[C@@]5(C)O[C@H]53)[C@H](C)CC[C@@H]24)C[C@H](C)O1 36496843 RUZUDZSTUUEQRC-OEGXZZOISA-N 363.498 2.621 30 40 FFEB C=CCOc1cccc(NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)c1 225771205 SUECAXOTNDVUBY-SFHVURJKSA-N 374.462 2.823 30 40 FFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CCN(Cc2ccccn2)CC1 48355858 WZCKSFKWFQXTLG-MRXNPFEDSA-N 364.449 2.501 30 40 FFEB CCOC(=O)C/C(=N\Nc1cc(Cl)ccc1[N+](=O)[O-])C(=O)OCC 16682248 IVAPUCXTMGFBTH-GZTJUZNOSA-N 357.750 2.532 30 40 FFEB C[C@H]1CN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@]45O[C@H]5[C@H]23)C[C@@H](C)O1 100743646 ADDHZWLTSYXUMP-BWDPDWPVSA-N 363.498 2.621 30 40 FFEB COc1cc2[nH]c3c(=O)n(/N=C/c4ccc(F)cc4)cnc3c2cc1OC 2326449 SPCSSRQWHUHNDB-LSFURLLWSA-N 366.352 2.916 30 40 FFEB O=c1c2[nH]c3ccc(Cl)cc3c2ncn1/N=C/c1ccc(O)cc1O 2314459 RJLMTPPJACZKPG-IFRROFPPSA-N 354.753 2.825 30 40 FFEB CN1CCCc2cc(/C=C3\C(=O)c4ccccc4S(=O)(=O)N3C)ccc21 9423336 GICVIHMWUASQLG-QGOAFFKASA-N 368.458 2.927 30 40 FFEB C#CCOc1ccc2ccccc2c1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 254700780 BMHHPDWORMWWTC-SNHGZMDHSA-N 370.408 2.993 30 40 FFEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(CC)cc1 100471871 OSYCDDDZJMNXHL-QDASYUEBSA-N 366.508 2.651 30 40 FFEB N#Cc1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 47333822 JIOGKEMZUJEIHI-UHFFFAOYSA-N 354.385 2.856 30 40 FFEB CC(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl 101299349 KQTIDLDDQCRDPU-YXEAAEFPSA-N 372.899 2.597 30 40 FFEB O=C(C[n+]1ccc(C(=O)c2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 1829441 IIQFVUBRZHJONC-UHFFFAOYSA-O 362.365 2.752 30 40 FFEB C[C@H](C(=O)Nc1cc(Cl)ccc1C#N)N1C(=O)c2ccccc2C1=O 3254290 YTHBNAULPHZUQS-SNVBAGLBSA-N 353.765 2.835 30 40 FFEB C=C(CO)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C 4026566 FHMTWLTWUUIXDI-FYYUJBKDSA-N 360.494 2.769 30 40 FFEB biogenic CC(=O)/N=C1\NC(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 18255088 NVJKQGIQUXJJJW-ZSOIEALJSA-N 357.347 2.961 30 40 FFEB Cc1ncnc(OCC2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1C 1565522664 MYXAXABHLQYGIP-UHFFFAOYSA-N 350.422 2.896 30 40 FFEB O/C(=N/C1CCN(c2nccs2)CC1)C1CCN(c2cnccn2)CC1 328773486 HLJCPSKGCUWXNA-UHFFFAOYSA-N 372.498 2.775 30 40 FFEB Cc1ncc(S(=O)(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)cc1C#N 331537847 RPUWUPVUBSWGEY-OAHLLOKOSA-N 359.426 2.654 30 40 FFEB COc1ccc(/C(N)=N/OC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 5981870 HSWFXSNFNCEMGO-VZUCSPMQSA-N 356.378 2.589 30 40 FFEB Cc1ccc(S(=O)(=O)/N=C(\O)OC[C@@H]2CCCN3CCCC[C@@H]23)cc1 20528376 HPBCBVUZQRZNAT-RDJZCZTQSA-N 366.483 2.879 30 40 FFEB C#CCN1CCC(C(=O)Nc2ccc(I)cc2)CC1 50028343 KEBLXKLSPYMEQW-UHFFFAOYSA-N 368.218 2.575 30 40 FFEB C[C@@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1F 69286688 HFMHUPUHNLEAHL-MWLCHTKSSA-N 365.810 2.708 30 40 FFEB NC(=O)COc1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1 408865686 DJWKYHWXMIZMDK-DHDCSXOGSA-N 371.393 2.581 30 40 FFEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@H]2CCCN(c3ncccn3)C2)c(C)c1 48476234 UAJYCTQUUAPYII-HNNXBMFYSA-N 374.466 2.655 30 40 FFEB O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)NCc1ccccc1 13768816 WYEAIVWXDHFJKP-UHFFFAOYSA-O 350.417 2.844 30 40 FFEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccc(Br)o2)n1 6606044 KMKXACORNQJRCO-MRVPVSSYSA-N 369.196 2.840 30 40 FFEB C#CCOc1c(/C=C2/N=C(C)OC2=O)cc(Br)cc1OC 408814686 GJHCXICJADAYEG-KPKJPENVSA-N 350.168 2.786 30 40 FFEB N#Cc1cncc(N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)n1 516757141 RQKNTMGMGKSLGA-FOIQADDNSA-N 358.405 2.956 30 40 FFEB O=S(=O)(N/N=C/c1c(F)c(F)c(F)c(F)c1F)c1ccccc1 2115259 KVJFNHOLOQAENI-KPSZGOFPSA-N 350.268 2.695 30 40 FFEB C=CCn1c(=O)c(C(=O)Nc2nnc(CC)s2)c(O)c2ccccc21 100686013 XFFNGCKXSRCWOI-UHFFFAOYSA-N 356.407 2.559 30 40 FFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCc1ccc2c(c1)OCO2 32741241 BWWNOUNATQCWNE-UHFFFAOYSA-N 363.373 2.952 30 40 FFEB Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1C 21573861 XZXBXGJMIRTZNQ-KBXCAEBGSA-N 372.498 2.814 30 40 FFEB CCCc1nn(-c2ccc([N+](=O)[O-])cc2)c(O)c1/C=N/CC1CCNCC1 102865237 XNHGNAIOLZYVFD-FYJGNVAPSA-N 371.441 2.857 30 40 FFEB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O 22224451 UPOGFIIPQSAYQH-IBGZPJMESA-N 371.343 2.682 30 40 FFEB COc1ccc([C@H]2C3=C(CCCC3=O)Oc3ncn4nc(C)nc4c32)cc1 5346208 SPLSRAAAZVYXRF-INIZCTEOSA-N 362.389 2.973 30 40 FFEB Cc1ccc(NC(=O)CN(C)C(=O)COc2ccc(C#N)cc2Cl)cc1 18963534 JDQSJGLJUCXPIC-UHFFFAOYSA-N 371.824 2.996 30 40 FFEB CCNC(=S)N/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1 33666640 HQXALUXAVLJTOS-RGVLZGJSSA-N 357.435 2.782 30 40 FFEB N#C[C@@H]1CCC[C@H]1Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 72312153 UDSGYNJITVWXFM-WCBMZHEXSA-N 363.317 2.992 30 40 FFEB Cc1cccnc1CN1CCC[C@@H]1c1c[nH]c(=Nc2ccc(C#N)nc2)cn1 585294692 UCKMSZNIUPOSJZ-HXUWFJFHSA-N 371.448 2.949 30 40 FFEB CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1cccc(C#N)c1 12846852 NJPOPNGYQWPMNS-UHFFFAOYSA-N 366.446 2.624 30 40 FFEB N#Cc1cccc(C(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)c1 96104404 BLBMLUUBHMSDSC-UHFFFAOYSA-N 360.822 2.510 30 40 FFEB C[C@H](C#N)OC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 3358155 WTFRZUDUXYVLNU-CQSZACIVSA-N 370.430 2.897 30 40 FFEB N#CCOc1ccccc1/C=C1\SC(NC(=O)c2ccccc2)=NC1=O 409138221 ZOTBKTNXMMUCLX-VBKFSLOCSA-N 363.398 2.989 30 40 FFEB N#Cc1ccc(N2CCC(C(=O)N[C@H]3CCOc4ccccc43)CC2)nc1 12754121 QVNLWADLCHABPZ-SFHVURJKSA-N 362.433 2.810 30 40 FFEB C=CCn1c2nc3ccccc3nc2c2c(=O)n(CCCOCC)cnc21 2412406 FUVDRZSUKZJCJH-UHFFFAOYSA-N 363.421 2.907 30 40 FFEB CN(C)c1ccc(/C=N/N2C(=O)CSC2=S)cc1Br 409347314 PJTDIHNLNGYTSH-MKMNVTDBSA-N 358.286 2.709 30 40 FFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](CC(=O)O)c1ccc(F)cc1 13178008 UMELNAGCKZSUAU-SJCJKPOMSA-N 356.353 2.797 30 40 FFEB CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccc(C#N)cc2)n2ncnc2N1 4704187 UTHTVWRETJNXOD-LJQANCHMSA-N 370.416 2.755 30 40 FFEB N/C(=N\OC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 35673437 YMUDDBLIAMHCBG-UHFFFAOYSA-N 366.204 2.587 30 40 FFEB C[C@H](Oc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)O 39557403 ADFCMSJSODWJDS-VJCPFXPRSA-N 374.309 2.801 30 40 FFEB COc1ccc([C@@H]2c3c(nn(-c4ccccc4)c3O)NC(=O)[C@H]2C#N)cc1 14163243 KDLLVZOUPLAZGN-HOTGVXAUSA-N 360.373 2.810 30 40 FFEB CN(CCOc1cccc(Cl)c1)S(=O)(=O)c1cccc(C#N)c1 14198432 CVFTTXMWIJEVTG-UHFFFAOYSA-N 350.827 2.911 30 40 FFEB COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3cccc(O)c3)NC2=O)cc1 16712070 HMAZTIVLRUDBGB-HNNXBMFYSA-N 371.418 2.649 30 40 FFEB N#Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)cc1 7059802 NVYXNILEUUWDQL-UHFFFAOYSA-N 361.854 2.723 30 40 FFEB CCOc1cc2c(cc1/C=C/C(=O)[C@@H]1C(=O)C=C(C)OC1=O)O[C@H](C)C2 103337963 OBCVPHNYJUUJRL-ZHHQGROYSA-N 356.374 2.637 30 40 FFEB COC(=O)c1cc2ccccc2cc1NCC(=O)N[C@@](C)(C#N)C1CC1 55859917 YDZZRWXHXSNQDF-FQEVSTJZSA-N 351.406 2.847 30 40 FFEB Cc1cccc(NC(=O)CN2CCN(Cc3ccccc3C#N)CC2)c1C 22781031 WGWNNQUFBKUUSN-UHFFFAOYSA-N 362.477 2.931 30 40 FFEB O=C(C[C@H]1S/C(=N/c2ccccc2)NC1=O)Nc1cccc([N+](=O)[O-])c1 13658845 YPZRGRBRTPWETN-CQSZACIVSA-N 370.390 2.843 30 40 FFEB C[C@@H]1C[C@](O)(C#CCOc2ccc(Br)cc2)[C@H](C)CN1C 5440225 BZEJSCRBMDUORW-CKEIUWERSA-N 352.272 2.923 30 40 FFEB CC(/C=N/N(CCO)C1=NS(=O)(=O)c2ccccc21)=C\c1ccccc1 4705163 FERZPJKOGKTZRT-IOJOKMQUSA-N 369.446 2.519 30 40 FFEB CCOC(=O)c1sc(NC(=S)NC(=O)C(C)(C)C)c(C#N)c1C 21596382 QVSCKKHLTLKYSM-UHFFFAOYSA-N 353.469 2.964 30 40 FFEB COc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 408533511 JYXGMBCCJQNABO-INIZCTEOSA-N 351.362 2.605 30 40 FFEB COc1ccc2ncc(S(=O)(=O)c3ccc(C#N)cc3)c(OC)c2c1 72332524 BLHPRAJHTCSLCL-UHFFFAOYSA-N 354.387 2.956 30 40 FFEB C=CCCO[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 95450511 UJWGDMYVQDWCFT-JTQLQIEISA-N 351.346 2.900 30 40 FFEB CCOc1ccccc1-n1nc(C#N)c(N2CCN(c3ccccc3)CC2)n1 256048621 UWQGIVVNSUAULF-UHFFFAOYSA-N 374.448 2.864 30 40 FFEB CC(C)(C)OC(=O)N1CCC(COC(=O)N2CCC(F)(C=O)CC2)CC1 575447882 YECOZEAHUUCJSZ-UHFFFAOYSA-N 372.437 2.773 30 40 FFEB Cc1c(C)c(C)c(S(=O)(=O)N/N=C\c2ccc(O)c(O)c2)c(C)c1C 32575646 JVPWMLXIEDCTSA-OCKHKDLRSA-N 362.451 2.952 30 40 FFEB CC(C)C(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 5376929 PPEPWAIYOHHOIV-RGHHBTPQSA-N 372.899 2.597 30 40 FFEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(Br)cc1O 36476339 PSIZRUSWDZVOAZ-SOFYXZRVSA-N 367.159 2.913 30 40 FFEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1C 5377779 QQJIOFACVSBDBZ-MPOGACDISA-N 366.508 2.705 30 40 FFEB Cc1ccc(S(=O)(=O)OC[C@H]2CC[C@H](C(F)(F)F)N(C)C2)cc1 382703174 QEYOQJKNXXOZJP-GXTWGEPZSA-N 351.390 2.973 30 40 FFEB COc1cccc(/C=C/C(=O)OCC(=O)Nc2ccc(C#N)cc2)c1OC 2633530 XKPUIVOAFFGXEC-DHZHZOJOSA-N 366.373 2.771 30 40 FFEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl 101299047 UACXWRDSGNZMLX-BLCHQYFCSA-N 372.899 2.742 30 40 FFEB CSCc1nnc(SCC(=O)N(CCC#N)Cc2ccco2)o1 22094608 BFPSGDRCPOODHW-UHFFFAOYSA-N 352.441 2.560 30 40 FFEB CC(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 101317404 PPEPWAIYOHHOIV-YXEAAEFPSA-N 372.899 2.597 30 40 FFEB Cc1cc(NC(=O)c2ccc(NC(=O)NC(C)C)cc2)n(CCC#N)n1 58344212 GAYIFOIDPBEKGQ-UHFFFAOYSA-N 354.414 2.887 30 40 FFEB CC(C)NC(=O)COc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1 28215654 XCEQQQPUBYDWKL-UDWIEESQSA-N 370.478 2.911 30 40 FFEB N#Cc1ccc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)cc1 12797264 OSYBGRZBEBSREQ-UHFFFAOYSA-N 368.481 2.611 30 40 FFEB N#Cc1cccc(OCC(=O)NCc2ccnc(OCC(F)(F)F)c2)c1 48366388 GGAWBEOIYLEWBB-UHFFFAOYSA-N 365.311 2.590 30 40 FFEB N#Cc1cccc(NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)c1 3463446 CICDYPVNFKFWSL-UHFFFAOYSA-N 354.410 2.532 30 40 FFEB CC(=O)c1ccc(S(=O)(=O)/N=C(\O)[C@@H]2CC(=O)Nc3ccccc32)cc1 48472840 ISIKEQRYYRUANF-OAHLLOKOSA-N 372.402 2.660 30 40 FFEB C=CCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccncc1 5639077 JXBJGDXRTYFKIW-UHFFFAOYSA-N 355.423 2.528 30 40 FFEB COc1ccccc1CC(=O)N[C@@](C)(C#N)COc1ccc(F)c(F)c1 79071917 MUQFKQVXEUIDCN-IBGZPJMESA-N 360.360 2.993 30 40 FFEB C#Cc1cccc(NC(=O)CN(C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 95983169 LCTRQTMSGCDNCQ-GOSISDBHSA-N 371.481 2.938 30 40 FFEB CC(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl 101299345 KQTIDLDDQCRDPU-BLCHQYFCSA-N 372.899 2.597 30 40 FFEB Cc1sc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(C#N)c1C 102445319 HOIJJHCOXXGLBR-CHWSQXEVSA-N 359.451 2.740 30 40 FFEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1(c2ccccc2)CC1 25083964 CRYPYCNPDGKKPB-UHFFFAOYSA-N 373.460 2.998 30 40 FFEB O=C1N/C(=N/N=C\c2ccccc2)S[C@@H]1Cc1ccccc1[N+](=O)[O-] 16771396 YDODFSWGFLYADU-JQFNYASXSA-N 354.391 2.759 30 40 FFEB C=CCN(CC(=O)N[C@@H]1CCCC[C@@H]1C)S(=O)(=O)c1ccc(C)cc1 6560716 OKVSQNMBWCFNNX-FUHWJXTLSA-N 364.511 2.867 30 40 FFEB CC(C)OC(=O)COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1 4739405 JWXKWPAXNRQMBV-DJKKODMXSA-N 358.354 2.766 30 40 FFEB N#Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 5635948 VLBBKQRADRBZNE-UHFFFAOYSA-N 369.446 2.985 30 40 FFEB COc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(Cl)cc3)C2=O)c1 408535717 ONZNZNKXNNOGOF-HNNXBMFYSA-N 371.780 2.950 30 40 FFEB COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCC(=O)O 408931813 QPRBMJLPBZTIPJ-FYJGNVAPSA-N 370.405 2.746 30 40 FFEB CC(C)=C1C[C@@H]2[C@](C)(O)[C@H](OC(=O)[C@@]3(C)O[C@H]3C)CC[C@]2(C)CC1=O 31165565 COBSHSDADSYWJI-WUIZVRQGSA-N 350.455 2.942 30 40 FFEB biogenic,in-vitro Cc1nnc(/N=C(\O)CN2CCC(O)(c3ccccc3F)CC2)s1 36734926 QNHYQMFNOHVDGK-UHFFFAOYSA-N 350.419 2.557 30 40 FFEB CCOC[C@@]1(C#N)[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O 218190280 CKGXFOMIYWVMJF-RDBSUJKOSA-N 358.257 2.506 30 40 FFEB CC(C)(C)OC(=O)N1CCC[C@H](S(=O)(=O)c2ccc(C#N)cc2)C1 89212864 HBLAYEBRAVDDJK-HNNXBMFYSA-N 350.440 2.731 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1ccc(Br)cc1 222346519 URPZHFWDRVPDSQ-JZOORYFWSA-N 371.234 2.836 30 40 FFEB C=CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)c2c(O)n[nH]c2C[C@]1(C)O 239339168 LUAULMSEBPVYAT-XUWXXGDYSA-N 362.813 2.553 30 40 FFEB C=CCOC[C@H]1CN(C(=O)c2cccc(Cl)c2)Cc2nnn(CC)c21 2055750938 OXVGCGXSQZYBFY-CQSZACIVSA-N 360.845 2.894 30 40 FFEB CCN(CC)C(=O)N1CCC[C@H](/C(O)=N/c2nc(C(F)(F)F)n[nH]2)C1 40153399 FBPFCWWYBHUXRQ-VIFPVBQESA-N 362.356 2.585 30 40 FFEB CO[C@@H](/C(O)=N/S(=O)(=O)Cc1ccc(Cl)nc1)c1ccccc1 58152233 LKSCTQLZUNMMEV-CQSZACIVSA-N 354.815 2.909 30 40 FFEB N#Cc1ccc(CN2CCN(C(=O)COc3ccc(F)cc3F)CC2)cc1 24478668 QTHVFSZOFZMWDW-UHFFFAOYSA-N 371.387 2.560 30 40 FFEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc(Br)c1O 408749908 JWQXFATWILVPHD-SOFYXZRVSA-N 367.159 2.913 30 40 FFEB C#CCN(CC(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 48312437 DZZZPXVYXMXUFC-UHFFFAOYSA-N 356.447 2.566 30 40 FFEB CCNC(=S)N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1 3577227 CDJGACVKPZRQJW-CIAFOILYSA-N 350.451 2.752 30 40 FFEB N#Cc1cc(N2CCN(c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1C#N 4187827 XNDIFRBCAGMJAH-UHFFFAOYSA-N 351.341 2.804 30 40 FFEB CN(C)c1cc(N/N=C/c2cc([N+](=O)[O-])ccc2Cl)nc(N(C)C)n1 4511030 WQSQMLMMLCITFI-RQZCQDPDSA-N 363.809 2.616 30 40 FFEB NC(=O)c1cc(C2=NN/C(=N\c3cccc(Cl)c3)SC2)ccc1O 15452828 RNAQXTJLMQQZDA-UHFFFAOYSA-N 360.826 2.873 30 40 FFEB Cc1c(/C=N/Nc2cccc([N+](=O)[O-])c2)n(C)n(-c2ccccc2)c1=O 7785956 SRAPGLYQLKXCRP-XDHOZWIPSA-N 351.366 2.839 30 40 FFEB CC(C)[C@H](Oc1ccccc1C#N)/C(O)=N/S(=O)(=O)c1cccnc1 84409434 XJWNUHNCQNRKRL-INIZCTEOSA-N 359.407 2.702 30 40 FFEB CNC(=O)[C@H](CCSC)NC(=O)c1ccccc1-c1ccccc1C#N 568324743 UOSZNPPSKXULOX-SFHVURJKSA-N 367.474 2.823 30 40 FFEB C=CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)ccc1C 225936475 GSRXEIMBYCHLIL-UHFFFAOYSA-N 372.490 2.797 30 40 FFEB Cc1ccc2c(c1)[C@H](N/C(O)=N/C[C@H]1CCCCS1(=O)=O)CCC2 330228784 VONQPBXKXMWEJC-NVXWUHKLSA-N 350.484 2.843 30 40 FFEB O=C(O)COc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1 19973739 ATJKAXIMFPQONH-UHFFFAOYSA-N 367.401 2.851 30 40 FFEB N#Cc1ccc(CS(=O)(=O)N2CCOC[C@H]2c2cccc(F)c2)cc1 594868031 GMQFQRNXVDZDLV-SFHVURJKSA-N 360.410 2.601 30 40 FFEB C[C@@H](CCc1ccccc1)/N=C(\O)Cn1c(=O)[nH]c2ccccc2c1=O 2951927 IUBLTNHEWGKKGI-AWEZNQCLSA-N 351.406 2.668 30 40 FFEB CN(Cc1ccccc1O)C(=O)C1CCN(c2ccc(C#N)cn2)CC1 42116849 DEIPEBWAIXWYNP-UHFFFAOYSA-N 350.422 2.534 30 40 FFEB NC(=S)N/N=C1/CCCC[C@H]1C(O)(C(F)(F)Cl)C(F)(F)Cl 100423451 AWCNYHYGKNOLOT-ZHWVJQABSA-N 370.199 2.760 30 40 FFEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)ccc1C 5490249 NKQUDKCPKGZFEQ-MPOGACDISA-N 366.508 2.705 30 40 FFEB CCOc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OCC 408728420 LYDZOLYKZOJSCW-VDABXWBLSA-N 354.406 2.625 30 40 FFEB C=CCNC(=S)N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 409203323 VNXCHZOCJSLPET-GRSHGNNSSA-N 357.395 2.766 30 40 FFEB Cc1nnc(S)n1/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 408864486 WJXRSUMXOXBCCM-YBFXNURJSA-N 367.434 2.775 30 40 FFEB N#Cc1nccnc1N1CCC(COc2cc(C3CCC3)ncn2)CC1 1565522751 ZKFOGJPMGVDKTP-UHFFFAOYSA-N 350.426 2.701 30 40 FFEB CCOC[C@]1(C#N)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)CC 242728148 YVECZIITEUXQBV-RRFJBIMHSA-N 372.284 2.896 30 40 FFEB COc1ccccc1OCC#CCNC(=O)Nc1cccc(OC)c1OC 90610417 YBJVQSFHDQYZKR-UHFFFAOYSA-N 370.405 2.916 30 40 FFEB Cc1c(/N=C/c2ccc(N3CCOCC3)o2)c(=O)n(-c2ccccc2)n1C 1030102 HFUWUMLLCYNCCV-KGENOOAVSA-N 366.421 2.665 30 40 FFEB C=CCN1C(SCc2c(F)cccc2Cl)=N[C@H]2CS(=O)(=O)C[C@@H]21 13653540 RCXSRYNZPMEBDU-KBPBESRZSA-N 374.890 2.736 30 40 FFEB C=CCn1/c(=N/C(=O)c2ccco2)sc2cc(S(C)(=O)=O)ccc21 100874482 QVIGSSJJPQYIIA-MSUUIHNZSA-N 362.432 2.626 30 40 FFEB CC1=C2[C@H]3OC(=O)[C@H](CN4C[C@H](C)O[C@H](C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O 20114038 GDXMPYQBACNJOM-HDHJMGOASA-N 359.466 2.509 30 40 FFEB biogenic c1cc(OC[C@@H]2CO2)cc(-c2nnc(-c3cccc(OC[C@@H]4CO4)c3)o2)c1 2258827 IQCCNCOQRRJSTE-QZTJIDSGSA-N 366.373 2.959 30 40 FFEB N#Cc1ccc(C(=O)OCC(=O)NCc2cccc(Br)c2)cc1 67197863 PTQJJFIPVCXBNX-UHFFFAOYSA-N 373.206 2.794 30 40 FFEB COC[C@]1(C#N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218093157 LHANWPREMRHUET-CEXWTWQISA-N 357.431 2.791 30 40 FFEB CC(=O)c1cccc(S(=O)(=O)/N=C(\O)[C@@H](C)Oc2ccccc2C#N)c1 45098297 CLSUINFLMSBKRO-CYBMUJFWSA-N 372.402 2.874 30 40 FFEB C=CC[C@@H]1N(c2ccc(F)c(Cl)c2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4237659 WQPJQZYZOVZCCA-SUKQMUEJSA-N 363.772 2.795 30 40 FFEB C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCOC)cc1 8480659 IVULKWNDEWEWIL-UHFFFAOYSA-N 354.406 2.880 30 40 FFEB CCOCCCNC(=O)c1ccc(-n2cccn2)c(C#Cc2ccccn2)c1 57760576 GXANDIFOAZRJCD-UHFFFAOYSA-N 374.444 2.824 30 40 FFEB CCCN(CC(=O)NCCC#N)CC(=O)Nc1ccc(Cl)cc1Cl 27351888 LZTMOUXQUDBJFN-UHFFFAOYSA-N 371.268 2.674 30 40 FFEB Cc1cc(C)c(C#N)c(SC[C@@H](O)c2ccc(S(C)(=O)=O)cc2)n1 58432370 ORLPPKGOZQGIDQ-MRXNPFEDSA-N 362.476 2.799 30 40 FFEB C=CCN1C(SCc2c(F)cccc2Cl)=N[C@H]2CS(=O)(=O)C[C@H]21 13653542 RCXSRYNZPMEBDU-UONOGXRCSA-N 374.890 2.736 30 40 FFEB C[C@@H](NC(=O)c1ccc(NC(=O)CC#N)cc1)c1ccc(-n2cncn2)cc1 9613925 SDQLAPJUSVLBBL-CQSZACIVSA-N 374.404 2.610 30 40 FFEB C=C1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)/C(C)=C\C)C[C@]2(C)OC1=CC2=O 72320072 BITFKDUCQOBZDL-JHMPSZHCSA-N 358.390 2.554 30 40 FFEB biogenic,in-vitro C/C(=N\NC(=S)Nc1ccc(C)cc1C)c1ccc(OCC(N)=O)cc1 33044142 KPNKCNFHYBTJRE-HYARGMPZSA-N 370.478 2.878 30 40 FFEB C=CCNC(=S)Nc1nc(N2CCCC2)cc(N2CCC(C)CC2)n1 225923823 QJYWGUWNXUMXOB-UHFFFAOYSA-N 360.531 2.786 30 40 FFEB C=C(CO)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 12657093 FHMTWLTWUUIXDI-KAKDVIIHSA-N 360.494 2.769 30 40 FFEB N#Cc1cccc(CN2CCC(NS(=O)(=O)c3cccs3)CC2)c1 32865316 JSZWVBAOOJKQPE-UHFFFAOYSA-N 361.492 2.563 30 40 FFEB COc1ccc([C@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1O 100791465 ZWCRKZJIBATFJU-CYBMUJFWSA-N 350.326 2.765 30 40 FFEB biogenic COC(=O)C[C@H](NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccccc1 12875944 GOQCAEBNTIRUMB-KDOFPFPSSA-N 352.390 2.746 30 40 FFEB CCCCOC(=O)c1cccc(-c2ccc(/C=N/Nc3nncn3N)o2)c1 4502046 WZJZPBPQBDJLEM-RGVLZGJSSA-N 368.397 2.655 30 40 FFEB C=CCNCc1ccc(OCc2ccc3c(c2)n(C)c(=O)n3C)c(OC)c1 16363961 KZMYJKLOEWOPLB-UHFFFAOYSA-N 367.449 2.740 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)CO/N=C(/C)c1ccccc1 19802667 ZGQXWSRCXDRVJR-HAHDFKILSA-N 351.406 2.982 30 40 FFEB N#Cc1cccc(C(=O)OCC(=O)NCc2ccccc2Br)c1 72333959 LHTUGBPNQNZDKQ-UHFFFAOYSA-N 373.206 2.794 30 40 FFEB COc1cccc(N2CC[C@@H](C/N=C(/O)N3CCOCC4(CCC4)C3)C2)c1 329554364 GRLBOHOFCFICFT-KRWDZBQOSA-N 373.497 2.938 30 40 FFEB CCN(CC)Cc1ccc(CNS(=O)(=O)c2cccc(C#N)c2)cc1 15359597 GXVTXKIWASOXNB-UHFFFAOYSA-N 357.479 2.879 30 40 FFEB N#Cc1ccncc1N1CCC[C@H](COc2ncc(Br)cn2)C1 1888853051 ZHKZYZPZGSLENC-LBPRGKRZSA-N 374.242 2.801 30 40 FFEB CC1=CC(=O)/C(=C/N2C(=O)/C(=C\c3cccc(O)c3)SC2=S)C(=O)O1 8665313 XWRJSXFGIHCWRZ-GLKCHUTISA-N 373.411 2.507 30 40 FFEB CN(C)S(=O)(=O)c1cccc(C(=O)/C=C/c2ccc3c(c2)CCO3)c1 54803169 PJDLHRWXDVERBU-SOFGYWHQSA-N 357.431 2.768 30 40 FFEB O=C(NOC(=O)c1ccccc1I)c1cccs1 4949219 OXMBXMAUCZOUGL-UHFFFAOYSA-N 373.171 2.855 30 40 FFEB C#CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O 408819471 XFNVNTDWDJLGHU-GHRIWEEISA-N 374.396 2.982 30 40 FFEB COC(=O)C[C@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(C)cc1 24490393 DGSYOFYELHNBFW-SFHVURJKSA-N 352.390 2.666 30 40 FFEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)c(C)c1 32508256 VNAFUGIGPYXIDZ-YTRIFDNDSA-N 366.508 2.705 30 40 FFEB N#Cc1cc(Cl)cc(Br)c1NCC1(C(N)=O)CCOCC1 582704395 RRRIPQKQXCNOEC-UHFFFAOYSA-N 372.650 2.668 30 40 FFEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)C)cc1 5265758 ZRZODZDQTRQKGZ-WTIYMYMHSA-N 366.508 2.821 30 40 FFEB COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1CN1CCOCC1 20258538 QPZPLMSLPKXGCO-DEDYPNTBSA-N 370.409 2.882 30 40 FFEB C=CCOc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1 101294796 YHJBVLSWZJUAOT-WMZOPIPTSA-N 366.348 2.683 30 40 FFEB N#Cc1ccsc1NC(=O)CN1CCN(Cc2cccc(F)c2)CC1 22937376 IAAJDQJLLUAQTR-UHFFFAOYSA-N 358.442 2.515 30 40 FFEB N#Cc1cccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c1 13000318 GKBIRSHNXKSBHP-UHFFFAOYSA-N 355.463 2.501 30 40 FFEB CCCN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1cccc(C#N)c1 25654677 KBHDCZCDHXBGHQ-MRXNPFEDSA-N 372.446 2.799 30 40 FFEB Cc1c(C(=O)Nc2ccc(Cl)cc2)cnc2nc(SCC#N)nn12 6759732 MZEDNXMVCCBVEL-UHFFFAOYSA-N 358.814 2.954 30 40 FFEB CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1cccc(C#N)c1 9367776 WPGICDLDYHVYDB-UHFFFAOYSA-N 355.463 2.979 30 40 FFEB CCOC(=O)[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 218366171 LFFVDKQMSSURFX-JENIJYKNSA-N 373.405 2.838 30 40 FFEB COc1ccc([C@]2(C)NC(=O)N(/N=C/c3ccc(F)c(F)c3)C2=O)cc1 36748325 QJNTZZCFQRDXSF-FWOHHPOZSA-N 359.332 2.775 30 40 FFEB C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 610598344 QDHCUTUDJJELKB-IPELMVKDSA-N 353.466 2.980 30 40 FFEB CCOC(=O)C1(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCOCC1 205564251 YVKKKGOFTQGADN-UHFFFAOYSA-N 360.259 2.597 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccccc2F)cc1OC 5408819 ZMIJEZALMFRQDV-MRXNPFEDSA-N 357.337 2.709 30 40 FFEB N#Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1Cl 5992430 XXUSMMRAMPPMMU-UHFFFAOYSA-N 357.584 2.714 30 40 FFEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CC(=O)O)[C@@H]2c2ccc(F)cc2)cc1 102884915 QYZYZZFTQRDTPL-GROYHEBESA-N 369.348 2.640 30 40 FFEB C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(Cc2ccc(C#N)cc2)CC1 23248801 RDIKAPVGSYAARI-QGZVFWFLSA-N 373.460 2.575 30 40 FFEB N#Cc1c(F)cccc1NCCNC(=O)N1CCO[C@@H](c2ccccc2)C1 89828110 AEMYAAARRQIGHX-LJQANCHMSA-N 368.412 2.892 30 40 FFEB C=CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1Br 4185167 CVMSUHXPFGHSHY-CYBMUJFWSA-N 367.268 2.971 30 40 FFEB Cc1cc(C)n2nc(S[C@H](C)C(=O)N(C)C3(C#N)CCCCC3)nc2n1 14141385 VLRPWRCXHMPZKP-CQSZACIVSA-N 372.498 2.907 30 40 FFEB Cc1ccc(N2CCC[C@H](/N=C(/O)N3CCC[C@@H]3c3ccncc3)C2)nn1 329578413 KNXLNQNKKXEEOL-ZWKOTPCHSA-N 366.469 2.900 30 40 FFEB CCOc1ccc(/C=N/n2cnnc2-n2nc(C)cc2C)cc1OCC 5953733 HHGNUMGEJXKNAJ-RGVLZGJSSA-N 354.414 2.760 30 40 FFEB N#Cc1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc23)cc1Cl 5826961 KDUMVIZVCXJOSH-UHFFFAOYSA-N 354.753 2.883 30 40 FFEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 101300859 KPEQTZRZUOPQFM-LTUGMUNRSA-N 372.899 2.742 30 40 FFEB CC(C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 102694292 CCAYJYCNLMYTHL-KFWWJZLASA-N 368.437 2.802 30 40 FFEB CNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccccc2)S1 2728706 QCLNNFCGEIIWDA-BSBNDGSWSA-N 353.447 2.954 30 40 FFEB CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1cccc(C#N)c1 12822833 AHUTZDAMOUHBJX-UHFFFAOYSA-N 363.826 2.616 30 40 FFEB Cc1cc(C)c(-c2csc(NC(=O)Cn3cnc(C#N)n3)n2)cc1C 13007303 BNIBPTMBBKMESY-UHFFFAOYSA-N 352.423 2.837 30 40 FFEB C[C@H]1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 65608986 RDCFYHVRFKJSKX-ZDUSSCGKSA-N 354.410 2.891 30 40 FFEB C[C@@H](OC(=O)c1cc2ccccc2oc1=O)C(=O)Nc1cccc(C#N)c1 5738809 MBSCRESCUAYLSP-GFCCVEGCSA-N 362.341 2.849 30 40 FFEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(Cl)c1 409146846 LMIMHLANXJGKCR-CQSZACIVSA-N 363.797 2.813 30 40 FFEB COc1cc(CNCC(C)C)cc(I)c1OCC#N 36611721 CNZSXZLWXFBDKE-UHFFFAOYSA-N 374.222 2.948 30 40 FFEB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(C#N)C(=O)O)cc1 252516114 QDOYOONKAUQSQX-ZHALLVOQSA-N 355.415 2.783 30 40 FFEB C[C@H](CNc1oc(/C=C/c2ccc(F)cc2)nc1C#N)N1CCOCC1 1775977217 XAXPCAYITBRFOI-BTKRWWFXSA-N 356.401 2.988 30 40 FFEB CS(=O)(=O)c1ccc(C(=O)OCc2cn3ccccc3c2C#N)cc1 14851277 MTIDJZFHYNPCJW-UHFFFAOYSA-N 354.387 2.571 30 40 FFEB C=CCN1CCN([C@@H](c2ccccc2)c2nnnn2CCC(C)C)CC1 19447025 LRGFCVWFGTVNTF-IBGZPJMESA-N 354.502 2.612 30 40 FFEB C/C(=N\O[C@@H](C)C(=O)NCC(F)(F)F)c1ccc(NC(=O)C2CC2)cc1 24757632 FVQWDNDKHPVVBV-MOSLJXCSSA-N 371.359 2.843 30 40 FFEB O=C(O[C@@H]1CN2CCC1CC2)[C@@](O)(C#Cc1ccccc1)c1ccccc1 1640677 IHKNDYGDKUBCFR-FYYLOGMGSA-N 361.441 2.563 30 40 FFEB N#Cc1cc([N+](=O)[O-])cn(Cc2ccc(OCC(F)(F)F)cc2)c1=O 54451213 USWZCUIQAFSFRM-UHFFFAOYSA-N 353.256 2.618 30 40 FFEB C[C@H](c1ccccc1)n1cnnc1SCC(=O)N[C@](C)(C#N)C1CC1 48355989 FMEYYWIJFJEUJH-FZKQIMNGSA-N 355.467 2.788 30 40 FFEB CCCCOc1ccc(C(=O)NCCNc2ccc(C#N)cn2)cc1OC 12973576 HFIPRSXYWLKRSB-UHFFFAOYSA-N 368.437 2.983 30 40 FFEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OCC#N 20823710 WRGOWGVLMSNLSX-VCHYOVAHSA-N 371.309 2.860 30 40 FFEB CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1c(CC)noc1C 7015646 IQRMNNPRFKYMDK-UHFFFAOYSA-N 363.395 2.595 30 40 FFEB COc1ccc(CNC(=O)[C@@H](C)O/N=C/c2ccccc2F)cc1OC 15392669 OVHIFOUPIBQIBJ-UMYHVIPVSA-N 360.385 2.898 30 40 FFEB COc1cccc(OC)c1C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1 7184065 MXERDTAPKBTBIR-ZDUSSCGKSA-N 360.410 2.592 30 40 FFEB CCn1c(S[C@@H](C#N)Cc2ccc(C)cc2)nnc1N1CCOCC1 7789215 BNMAKOWDCPSQTD-MRXNPFEDSA-N 357.483 2.670 30 40 FFEB C=CCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)cc2)c1 408558356 QVJRXTZCDORSFH-UHFFFAOYSA-N 360.435 2.720 30 40 FFEB Cc1cc(N2C[C@H]3CN(c4nc5c(cc4C#N)CCCC5)C[C@@H]3C2)ncn1 585615023 USJCUCJUHKDXRF-ROUUACIJSA-N 360.465 2.503 30 40 FFEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)C)cc1 5265755 ZRZODZDQTRQKGZ-QDASYUEBSA-N 366.508 2.821 30 40 FFEB COc1ccc(/C=C/C(=O)[C@@H]2C(=O)C=C(C)OC2=O)cc1Br 24602415 JBLQMOIXKVZQDO-SJDLMVEWSA-N 365.179 2.686 30 40 FFEB COC(=O)c1cc(C#N)c(=O)n(Cc2cc(Cl)ccc2OC(F)F)c1 24830400 IPRDZWJRROIUBE-UHFFFAOYSA-N 368.723 2.810 30 40 FFEB C[C@H]1CN(c2ccc(CNC(=O)N3CCC(C#N)CC3)cc2F)C[C@@H](C)O1 57994034 KRZLTCSVODRAQL-GASCZTMLSA-N 374.460 2.884 30 40 FFEB C[C@H](c1ccccc1)n1cnnc1SCC(=O)N[C@@](C)(C#N)C1CC1 48355987 FMEYYWIJFJEUJH-ACJLOTCBSA-N 355.467 2.788 30 40 FFEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccccn4)[C@H]3[C@@H]3O[C@@]132 4000446 HBHDWNFMXMZZLP-NWXZCIDWSA-N 356.466 2.697 30 40 FFEB biogenic COc1ccc(C(=O)ON=C2CCN(C(C)=O)CC2)cc1Br 408613621 YXKXZWFJQXFIGA-UHFFFAOYSA-N 369.215 2.613 30 40 FFEB O=c1c2cnc3nc(-c4ccc(Cl)cc4)nn3c2ccn1CCS 20674495 RCWPCXNMDIZCPB-UHFFFAOYSA-N 357.826 2.689 30 40 FFEB C=CCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCc1ccccc1 217481837 DMPIIOHXGOZERO-UHFFFAOYSA-N 360.435 2.504 30 40 FFEB C[S@@](=O)[C@@H]1CCCC[C@@]1(O)CSc1nc2c(cc1C#N)CCCC2 13576422 FWTFALTUGIYPJQ-OSWMTFESSA-N 364.536 2.976 30 40 FFEB CCOc1cc(/C=C2/NC(=O)NC2=O)ccc1OCc1ccccc1C#N 4183046 IFBQTVWSJLWIGI-CXUHLZMHSA-N 363.373 2.716 30 40 FFEB N#CCOc1ccccc1/C=C1/C(=O)NN(c2ccc(Cl)cc2)C1=O 5678653 ZTSMYWJHVWKKTE-PTNGSMBKSA-N 353.765 2.704 30 40 FFEB CCNC(=S)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 6594460 OXGSTTDFLVZAEW-UDWIEESQSA-N 356.451 2.522 30 40 FFEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@H]2c2ccccc2[N+](=O)[O-])cc1 102566915 XGJVCMRRJUTHPJ-UYTDBDHRSA-N 368.345 2.655 30 40 FFEB CCOC(=O)c1sc(NC(=O)C2=CC(=O)c3ccccc3C2=O)nc1C 801004 ZOIFOGXAYRGEEN-UHFFFAOYSA-N 370.386 2.572 30 40 FFEB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 3398167 JGYLSILRLIDYEH-UHFFFAOYSA-N 363.826 2.714 30 40 FFEB Cc1[nH]c(=O)nc(SCC(=O)N[C@@H](C)c2ccccc2Cl)c1C#N 12815485 HBMXFPUTGOEOQO-VIFPVBQESA-N 362.842 2.573 30 40 FFEB CC(C)Oc1ccc(/C(O)=N/S(=O)(=O)Cc2ccc(C#N)cc2)cn1 48509657 XCSLMCMAGMGWDE-UHFFFAOYSA-N 359.407 2.575 30 40 FFEB CCn1c(C)cc(C(=O)CN2CCN(Cc3ccc(C#N)cc3)CC2)c1C 22877250 PMIZMDYUPZSUKO-UHFFFAOYSA-N 364.493 2.997 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)O/N=C\c1ccccc1O 8382523 FBJUIDUTVRSKBK-CRRPLPBISA-N 367.405 2.686 30 40 FFEB CC1CCN(C(=O)CO/N=C(/N)c2cccc(CN3CCCCC3)c2)CC1 69977806 DKEPXDWDPLOKLE-UHFFFAOYSA-N 372.513 2.568 30 40 FFEB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)O[C@@H](C)C#N)cc2)cc1 5683411 ORVAOBXPCOZXDI-AWEZNQCLSA-N 358.419 2.889 30 40 FFEB C=CCn1c(SCc2cc(=O)[nH]c(SC)n2)nnc1-c1ccncc1 9762722 MOLYTIAWAYBFJA-UHFFFAOYSA-N 372.479 2.624 30 40 FFEB C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 83888641 JWYYISUHQNANQH-GDBMZVCRSA-N 365.437 2.658 30 40 FFEB COc1c(C=C2C(=O)c3ccccc3C2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 408718197 AAJNXWQKBJJUIO-UHFFFAOYSA-N 354.274 2.974 30 40 FFEB COc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2cccc(C)c2)C1=O 408536401 RGNIGAZURAOMQQ-CQSZACIVSA-N 351.362 2.605 30 40 FFEB CC1=C(NNC2C(=O)c3ccccc3C2=O)C(=O)[C@H](c2ccccc2)[C@@H]1C 1554504428 LFPFWATWFZAGFU-PXAZEXFGSA-N 360.413 2.805 30 40 FFEB CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccc(C#N)cc1 12939775 FPAMPHMODDHCAD-UHFFFAOYSA-N 352.419 2.565 30 40 FFEB C#CCn1cc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)c2ccccc21 4450971 RWNAFTFRTHSRJM-UHFFFAOYSA-N 361.405 2.929 30 40 FFEB COc1cc(NS(=O)(=O)c2ccc(/N=C/c3ccco3)cc2)ncn1 101670684 JUSITNCKNHHOBR-LICLKQGHSA-N 358.379 2.630 30 40 FFEB CCOc1ncccc1C(=O)OCC(=O)N(CCC#N)c1ccccc1 3225601 NXAFOXSVAZJQDA-UHFFFAOYSA-N 353.378 2.584 30 40 FFEB COC(=O)c1cccc(S(=O)(=O)/N=C(\O)C2=Cc3ccccc3OC2)c1 58188656 PVNICEQBQJEELU-UHFFFAOYSA-N 373.386 2.594 30 40 FFEB C=C(C)c1cccc(C(C)(C)NC(=O)NN2C(=O)N[C@@](C)(CC)C2=O)c1 12859613 OWTMYJAJMXTHCX-IBGZPJMESA-N 358.442 2.890 30 40 FFEB CC(C)S(=O)(=O)c1ccc(/C(O)=N/S(=O)(=O)c2cccs2)cc1 48449618 MAPLVXNUMCSALE-UHFFFAOYSA-N 373.477 2.624 30 40 FFEB Cc1noc(C)c1S(=O)(=O)/N=C(\O)c1ccccc1SCC#N 48490738 RHINSRWZKGGYBN-UHFFFAOYSA-N 351.409 2.601 30 40 FFEB C[C@]12C[C@@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]21OCC1=O 118936653 NVDNCLODVOXYKU-WLNOOPTGSA-N 362.441 2.919 30 40 FFEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)cc1 4312394 ABNSXPAMIOVJRB-LFVOPCPISA-N 364.445 2.978 30 40 FFEB COc1cc(CNC(C)C)cc(I)c1OCC#N 4670862 QOHDCFBNVSLDLY-UHFFFAOYSA-N 360.195 2.700 30 40 FFEB C#Cc1cccc(NC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)c1 69818605 JNCKYILIKKWDCQ-UHFFFAOYSA-N 371.444 2.797 30 40 FFEB C=CCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])c(OC)cc2OC)C1=O 409075449 YVONXUBIDTVDIE-NTUHNPAUSA-N 350.352 2.834 30 40 FFEB C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCc1ccccc1C)C2 14540555 IEOHTJPDLGNBOU-QGZVFWFLSA-N 352.482 2.726 30 40 FFEB CC1=C/C(=N\OS(=O)(=O)c2ccc(Br)cc2)C(C)=CC1=O 16779867 BJRQIVWLSUBQPF-DTQAZKPQSA-N 370.224 2.986 30 40 FFEB CC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 6348102 KKWGSVDOIQULCU-ZDUSSCGKSA-N 357.410 2.533 30 40 FFEB CCCCN(C(=O)Cc1c(C)nc2c(C#N)cnn2c1O)c1ccccc1 40114777 SOMJLVVMHBKKCP-UHFFFAOYSA-N 363.421 2.991 30 40 FFEB C=CCOc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)cc1 101294785 YHJBVLSWZJUAOT-SJLPKXTDSA-N 366.348 2.683 30 40 FFEB OC1=Nc2c(Cl)cc(Cl)cc2/C1=N\NC(=S)NC[C@H]1CCCO1 13122346 FDVYHCKZCSJNNN-MRVPVSSYSA-N 373.265 2.942 30 40 FFEB CN1CCN(c2ccc(/C=C3\S/C(=N\c4ccccc4)NC3=O)o2)CC1 3971260 KRMZERMKAFQLTH-SSZFMOIBSA-N 368.462 2.923 30 40 FFEB CC(=O)/N=C1\NC(=O)/C(=C/c2ccc(-c3ccccc3C(=O)O)o2)S1 5155549 RCDPXECGGHRFJU-ZSOIEALJSA-N 356.359 2.751 30 40 FFEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(O)cc2)cc1 19138131 JBKNSHLWIVHMJW-FZKQIMNGSA-N 367.401 2.660 30 40 FFEB N#Cc1cccc(C(=O)N2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)c1 96161355 ANNABBNGLPOJBQ-LJQANCHMSA-N 359.429 2.694 30 40 FFEB O=C1C=C/C(=N/Nc2cc3c(cc2[N+](=O)[O-])OCCO3)c2ccccc21 102590397 FHXSDBFQCOBSLF-UYRXBGFRSA-N 351.318 2.935 30 40 FFEB CC(=O)N1CCC(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 36396816 VQKFJUYZPKLDQI-UHFFFAOYSA-N 369.343 2.696 30 40 FFEB N#Cc1ccc(OCCOC(=O)c2ccc(N3CCCC3=O)cc2)cc1 12797893 BTKWBIZYWIGFGC-UHFFFAOYSA-N 350.374 2.921 30 40 FFEB COc1cc(/C=N/Nc2[nH]c(=O)nnc2C)ccc1OCc1ccccc1 3946854 YAQUKSFKJRCXRH-RGVLZGJSSA-N 365.393 2.507 30 40 FFEB Cc1ccc2c(c1)O[C@@H](c1ccc3c(c1)OCCO3)C/C2=N\NC(N)=S 4795589 PAGMUEHODCJALR-ZFMLPXDISA-N 369.446 2.827 30 40 FFEB N#Cc1cccnc1NCc1cccc(C(=O)NC[C@@H]2CCCCO2)c1 95468173 UJNARSZTXBSHJZ-SFHVURJKSA-N 350.422 2.864 30 40 FFEB CC/N=C1/S/C(=C/c2ccc(OCC(=O)OCC)cc2)C(=O)N1CC 408930572 YYACZQLGCRPRKC-IPGLUOITSA-N 362.451 2.941 30 40 FFEB N#Cc1ccc(F)c(CNC(=O)c2cn(-c3ccccc3Cl)nn2)c1 80792879 MSNPZJGWACWQFX-UHFFFAOYSA-N 355.760 2.861 30 40 FFEB CCOC(=O)[C@H]1CC[C@H](n2cc(B3OC(C)(C)C(C)(C)O3)c(C)n2)CC1 514278402 LMGCHDUIDBZYCW-SHTZXODSSA-N 362.279 2.785 30 40 FFEB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)C(=O)O)cc1 252516722 WBWHPOVJCKOFNT-ZIFCJYIRSA-N 371.414 2.538 30 40 FFEB CCN(CCC#N)Cc1cccn2c(I)cnc12 1248420367 RBQCUSBGDZMGOQ-UHFFFAOYSA-N 354.195 2.674 30 40 FFEB Cc1nc(-c2ncn([C@@H]3CCCCO3)n2)ccc1B1OC(C)(C)C(C)(C)O1 642882489 CQSWXMPHBQEQIP-INIZCTEOSA-N 370.262 2.647 30 40 FFEB COC(=O)[C@@](F)(OC(F)(F)C(F)(F)Br)C(F)(F)F 103543906 FWURRLSPMZESBJ-GSVOUGTGSA-N 354.975 2.985 30 40 FFEB C=CCN(CC=C)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1N 5076843 BROILFLMVUPHPI-UHFFFAOYSA-N 363.874 2.605 30 40 FFEB N#Cc1oc2ccccc2c1NC(=O)CN1CCN(c2nccs2)CC1 40033523 VUEQGZKJWRWLHF-UHFFFAOYSA-N 367.434 2.522 30 40 FFEB CCN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(C#N)cc1 7305620 IGEBLIJDVCVTGM-UHFFFAOYSA-N 358.419 2.540 30 40 FFEB CCN1C(=O)C(CC(=O)O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1SC 62716327 KDAHOXCVAHCULR-MRXNPFEDSA-N 353.827 2.845 30 40 FFEB C#CCOc1c(Cl)cc(/C=C2/C(=O)N(CC)C(=S)N2C)cc1OC 409032783 DIHRHMQCJZZCGH-LCYFTJDESA-N 364.854 2.780 30 40 FFEB Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)cc1 409412416 WKEUASSKUSKAFY-HNNXBMFYSA-N 371.462 2.854 30 40 FFEB CC1(C)CC(=O)C2=C(C1)Nc1c(C(N)=O)cnn1[C@H]2c1ccc(F)cc1 40287179 AWTXUSOEPNOZJX-INIZCTEOSA-N 354.385 2.779 30 40 FFEB C=CCSc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 225608360 VMNRGQGCOFRVMG-UHFFFAOYSA-N 358.426 2.525 30 40 FFEB N#Cc1ccc(C(=O)Nc2ccc(I)cn2)c(F)c1 4733262 LTUSICHDHLLTIK-UHFFFAOYSA-N 367.121 2.949 30 40 FFEB N#Cc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)oc1N1CCCC1 12421149 JGBHTSIQRDISTA-UHFFFAOYSA-N 372.450 2.598 30 40 FFEB C[C@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 23762769 XNGCGZLHMUVXFP-OAHLLOKOSA-N 373.453 2.765 30 40 FFEB C=CCn1c(SCC(=O)NC2CCCCCC2)nc2ncccc2c1=O 31615060 QVDMEDIOKXJDNE-UHFFFAOYSA-N 372.494 2.909 30 40 FFEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1ccc(O)cc1 102716748 JOMLXCZMXHMHBC-HVESIFNPSA-N 371.389 2.752 30 40 FFEB Cc1c(CN[C@@H](C)CCN2CCN(c3ccccc3)CC2)cc(C#N)n1C 58007718 NULUEPMTNLYVHI-SFHVURJKSA-N 365.525 2.896 30 40 FFEB COc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 408536000 PMBKMGWCAMRMEK-HNNXBMFYSA-N 351.362 2.605 30 40 FFEB C=CCNC(=O)CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O 5060347 HFHOLZBLDQAJHF-UHFFFAOYSA-N 362.838 2.818 30 40 FFEB N#Cc1ccc(NC(=O)CSCCCn2c(=O)[nH]c3ccccc32)cc1 14093876 ZQPZXFOZFGSSGZ-UHFFFAOYSA-N 366.446 2.963 30 40 FFEB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCC#N)cc2)C1=O 409019972 LDMOWCHBBXCKGD-ZTMOJVSCSA-N 360.391 2.577 30 40 FFEB CN(C)/C=N/c1nc2ncc(-c3ccc(Cl)cc3)c(/N=C/N(C)C)n2n1 18095904 BULDNYBYEPLDOD-CLVAPQHMSA-N 370.848 2.888 30 40 FFEB COc1ccc(-c2cc(=O)[nH]c(/N=C(\N)Nc3ccc(F)cc3)n2)cc1 18222494 YUFLIJOAKNUTJJ-UHFFFAOYSA-N 353.357 2.643 30 40 FFEB COc1ccccc1/C(O)=N/S(=O)(=O)c1cncc(Br)c1 95377469 HZKBQAVWZBVEHY-UHFFFAOYSA-N 371.212 2.546 30 40 FFEB N#Cc1c(NC(=O)[C@H]2CCCN(c3ncccn3)C2)sc2c1CCC2 95948620 YDASLYCCMUOXTK-LBPRGKRZSA-N 353.451 2.754 30 40 FFEB N#CC1(C(=O)N2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)CCCC1 1565555186 VPPSTIZJEAJCPO-QGZVFWFLSA-N 351.450 2.593 30 40 FFEB Cc1ccccc1S(=O)(=O)Nc1nc2nc3ccccc3n2cc1C#N 717555 KIHQPKVQVJSRNQ-UHFFFAOYSA-N 363.402 2.863 30 40 FFEB COc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)c1OC 804241 QUJXNAFKMXNNIF-MRXNPFEDSA-N 354.410 2.953 30 40 FFEB Cc1cc(C(=O)Nc2ccc(CC#N)cc2)cc(S(=O)(=O)N(C)C)c1C 12997081 UUJVWBHSNAHDHS-UHFFFAOYSA-N 371.462 2.872 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(OC)cc1 6786300 GWORMMGWDKKRAW-MRXNPFEDSA-N 373.430 2.981 30 40 FFEB C=CCNC(=O)NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 15033590 FOXVGWNWHORLOI-GOSISDBHSA-N 355.463 2.707 30 40 FFEB C=CCNC(=O)CSc1nc2sccc2c(=O)n1-c1ccccc1 7784085 BOEGWPBRVJTKMI-UHFFFAOYSA-N 357.460 2.842 30 40 FFEB C[C@@H]1CCC[C@@](C#N)(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)C1 96013463 UOTHHFFJLPENPT-CRAIPNDOSA-N 358.467 2.682 30 40 FFEB C=CCN1CC[C@]2(CN(Cc3ccncc3)C[C@@H]2c2nccs2)C1=O 306126423 DVBODPBPLSXPDW-VQIMIIECSA-N 354.479 2.542 30 40 FFEB CC(=O)N1CCc2c([nH]c3ccccc23)[C@]12C(=O)N(CC#N)c1ccccc12 13635443 TZYQXLXMPZOECV-JOCHJYFZSA-N 370.412 2.686 30 40 FFEB COc1ccc(OC)c(/C=N/n2c(-c3n[nH]c4c3CCC4)n[nH]c2=S)c1 5625603 ZQFGRECUENBWLO-GIJQJNRQSA-N 370.438 2.719 30 40 FFEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@@H]2c2ccc(OC)cc2)cc1 103522509 XCLAWXHLGMEDIK-GROYHEBESA-N 353.374 2.755 30 40 FFEB C=C(C)CNC(=S)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 54298902 NVNAKYUKQBLTAV-UHFFFAOYSA-N 361.555 2.798 30 40 FFEB CC1=CC(=O)[C@H](C(=O)/C=C/c2cc(Cl)c3c(c2)OCCCO3)C(=O)O1 24084042 QCCQSROABYSHCM-CWDCEQMOSA-N 362.765 2.730 30 40 FFEB Cc1cc(C)cc(N2/C(=N\C(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 101309448 FXOPUXZFUCLJMD-NHYXNVPJSA-N 366.508 2.561 30 40 FFEB C=CCN(C(=O)c1nc2nccc(C)n2n1)c1nc2ccccc2s1 14086747 XUAXAPDSAWOPLV-UHFFFAOYSA-N 350.407 2.875 30 40 FFEB COCc1cc(C)nc(NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C#N 408721215 FDNOKHYKFFYZRR-UHFFFAOYSA-N 358.314 2.664 30 40 FFEB CCN(Cc1ccc2c(c1)OCO2)C[C@@H](O)COc1ccc(C#N)cc1 57681812 XKNCPGJLBQEOAO-QGZVFWFLSA-N 354.406 2.549 30 40 FFEB C=CCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 13583651 DZRMNMRRCDRJOQ-KFWWJZLASA-N 366.421 2.580 30 40 FFEB C=CCN1C(=O)S/C(=C\c2ccc(O[C@H](C)C(=O)O)c(OC)c2)C1=O 981280 PBJVLEXIMBLPKH-AHEVQNHNSA-N 363.391 2.769 30 40 FFEB O=C1CC2(CCCCC2)CC(=O)C1=CN/N=C1/C(=O)Nc2ccccc21 29003903 KSTPDRXYCGGGMR-UHFFFAOYSA-N 351.406 2.699 30 40 FFEB N#Cc1ccc(CN2CCN(C(=O)c3cc(Cl)ccc3O)CC2)cc1 21905751 NMRPDFCJKGWTAP-UHFFFAOYSA-N 355.825 2.875 30 40 FFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCOCc1ccccc1 12622252 IAUZIHWABRQELC-UHFFFAOYSA-N 367.449 2.519 30 40 FFEB N#Cc1cc(C(=O)c2cccs2)c(C(F)(F)F)nc1SCC(N)=O 5192161 SFOCMNPYYQDJTB-UHFFFAOYSA-N 371.365 2.842 30 40 FFEB COc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2ccccc2C)C1=O 408534158 LOCLMYRGRMOSQT-CYBMUJFWSA-N 351.362 2.605 30 40 FFEB N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2CCn3ccnc3C2)CC1 161587889 UWWBOZISPVZUHD-ZLPCBKJTSA-N 364.449 2.824 30 40 FFEB C=CCN(CC=C)C(=O)c1ccc2nc(N3C(=O)CCC3=O)sc2c1 6158419 XWHNBXJYMLTVKE-UHFFFAOYSA-N 355.419 2.764 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(F)cc1 102856504 AVFSKBNQMAZGBK-GROYHEBESA-N 355.365 2.894 30 40 FFEB Cc1c(N/N=C(\C#N)c2nc3ccccc3[nH]2)c(=O)n(-c2ccccc2)n1C 4344438 NFIPELIBJZBTEP-JJIBRWJFSA-N 371.404 2.701 30 40 FFEB COc1ccc(-n2cc(C(=O)c3cc(F)ccc3O)cc(C#N)c2=O)cc1 5861931 WAEVACLVTGIFHB-UHFFFAOYSA-N 364.332 2.793 30 40 FFEB COc1cc(C#N)ccc1OCc1nc(N)nc(Nc2ccccc2C)n1 9395343 WUQFBNDKPXRFLJ-UHFFFAOYSA-N 362.393 2.965 30 40 FFEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C 32506631 UYVYPCMBXZHVQX-NHYXNVPJSA-N 366.508 2.787 30 40 FFEB O=C1N/C(=N/N=C/c2ccccc2)S[C@H]1Cc1ccc([N+](=O)[O-])cc1 5772367 YUOFNYOLNISVKP-LZNAANCOSA-N 354.391 2.759 30 40 FFEB O=C(O)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(F)c1 19368573 CURUIGXVWHIAID-QGZVFWFLSA-N 369.348 2.879 30 40 FFEB N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCC2CCC2)CC1 31438175 RBKMNKOZDYESFO-UHFFFAOYSA-N 354.410 2.939 30 40 FFEB COC(=O)c1cc(N/N=C2/C=CC(=O)c3ccccc32)cc(C(=O)OC)c1 102956127 GYVKRDHQBIWSHW-XLNRJJMWSA-N 364.357 2.829 30 40 FFEB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NCc1ccc(OC)c(OC)c1 20195694 ZIXJKJVDZUAOFY-FYJGNVAPSA-N 369.377 2.748 30 40 FFEB COc1cc(/C=C/C(=O)c2ccc(OCC(=O)O)cc2)cc2c1OCCO2 8321965 DKVUNXMKNFRTJA-FARCUNLSSA-N 370.357 2.826 30 40 FFEB O=S(=O)(/N=C(\O)CCc1nccs1)c1ccc2c(c1)OCCCO2 66003023 PPVWWXAYJILILK-UHFFFAOYSA-N 368.436 2.582 30 40 FFEB N#Cc1ccc(OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 7073438 YZYQLEANZAYTCS-UHFFFAOYSA-N 363.417 2.814 30 40 FFEB CCOC(=O)N[C@H](n1cncn1)C(F)(F)C(F)(F)C(F)(F)C(F)F 48520664 ZPIREQVTBCVXDS-ZCFIWIBFSA-N 370.200 2.694 30 40 FFEB C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(C#N)cc1 11460653 ZHMBFRRLQMTUSV-LBPRGKRZSA-N 361.357 2.584 30 40 FFEB C[C@H](Oc1cccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)c1)C(=O)O 69621511 FDCFKRULMPFQBH-PZBABLGHSA-N 367.357 2.766 30 40 FFEB Cc1c(C#N)c(NC(=O)COC(=O)C2CC2)n(-c2cccc(F)c2)c1C 8529085 UHOYABBTOSHDMD-UHFFFAOYSA-N 355.369 2.997 30 40 FFEB CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 101301149 ZYKOEFYZHAJQSR-LTUGMUNRSA-N 372.899 2.597 30 40 FFEB O=C(O)c1ccc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc1 2626179 YQGCPCAJGMKDEY-AWQFTUOYSA-N 353.403 2.917 30 40 FFEB COC(=O)c1sc(NC(=O)c2ccc3nsnc3c2)c(C#N)c1C 59294152 QPASMRMUWIRKER-UHFFFAOYSA-N 358.404 2.972 30 40 FFEB Cc1ccc(/C=N/N2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)o1 3579824 LMNUYEWUGRNQAQ-BSNPHMGVSA-N 363.320 2.991 30 40 FFEB CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 32506225 CKUCNCSPEPZPDZ-YTRIFDNDSA-N 366.508 2.724 30 40 FFEB CC(C)Sc1ccc(CC(=O)N2CCc3[nH]c(=O)c(C#N)cc3C2)cc1 225681458 ROTBGLAPZFROOS-UHFFFAOYSA-N 367.474 2.874 30 40 FFEB CCCCN(CCCC)C(=S)N/N=C1\C(=O)N(C)C(=O)c2ccccc21 6203654 XXFJZTAODOSEHO-SILNSSARSA-N 374.510 2.780 30 40 FFEB CCOC(=O)/C(=C/Nc1cscc1C(=O)OC)C(=O)C(F)(F)F 100205934 SEWQMJDCZYVSDG-QPJJXVBHSA-N 351.302 2.525 30 40 FFEB C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cn2)ccc1Cl 24968990 QTIYKINHJXQGOO-UHFFFAOYSA-N 365.842 2.760 30 40 FFEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OC)cc1OC)CC(=O)N2 4944435 QSOXYCMDEJPWFU-GFCCVEGCSA-N 373.434 2.539 30 40 FFEB CCO/C(O)=N/c1nnc(SCC(=O)Nc2ccccc2OC)s1 32891714 BOUYHJBMLLVKBM-UHFFFAOYSA-N 368.440 2.860 30 40 FFEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 102613833 OBAWDXJIPXEOCV-UYTDBDHRSA-N 368.345 2.655 30 40 FFEB Cc1ccc(-n2nc(C(=O)NCc3ccccc3)c(C)c(C#N)c2=O)cc1 1426330 HXINVIKOEZYWII-UHFFFAOYSA-N 358.401 2.651 30 40 FFEB CCOc1cc(C(=O)O[C@H](C)C#N)ccc1OCC(=O)N1CCCCC1 3496542 BDFPMCSHMRGTRT-CQSZACIVSA-N 360.410 2.545 30 40 FFEB C=CCN(Cc1cccs1)C(=O)Cn1cnc2ccc(F)cc2c1=O 12928318 KYEWYJPPTZNGDN-UHFFFAOYSA-N 357.410 2.812 30 40 FFEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1NC1CCN(C(C)C)CC1 13165293 LNNSOLWCUJCSNJ-OAHLLOKOSA-N 367.453 2.695 30 40 FFEB Cc1ccc2c(c1Br)/C(=N/c1ccc(C(N)=O)cc1)C(=O)N2 18068694 NKAWUSBXGYZHBJ-UHFFFAOYSA-N 358.195 2.929 30 40 FFEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)cc(C)c1 5488881 ZHRHMSXBYWSJRA-WTIYMYMHSA-N 366.508 2.705 30 40 FFEB CSc1nc2n(n1)[C@H](c1ccccc1[N+](=O)[O-])C1=C(CCCC1=O)N2 4716097 MKTMLGDWVZVHBA-CQSZACIVSA-N 357.395 2.930 30 40 FFEB C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1 408809964 OOSILLGWKXFNBC-QGOAFFKASA-N 374.396 2.982 30 40 FFEB C=CCOc1ccc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc1OCC 409336295 RKUHBGNQNCWTEU-ALCCZGGFSA-N 359.338 2.930 30 40 FFEB C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)[C@H](O)C[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)[C@H]1C2 514288080 NJXOESIYMRITAI-GBGYDQAPSA-N 364.482 2.939 30 40 FFEB biogenic,in-vitro N#Cc1nc(-c2ccccc2)oc1N1CCN(CCc2ccncc2)CC1 27562723 MTZLOBWZIVAFGN-UHFFFAOYSA-N 359.433 2.973 30 40 FFEB N#Cc1ccc(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)cc1 57991805 AFIGCJQOMWLXRP-JOCHJYFZSA-N 374.444 2.645 30 40 FFEB CO/N=C/NC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 4089847 DYPRRVOHKCQVMR-UHFFFAOYSA-N 374.237 2.888 30 40 FFEB COc1cccc(N/N=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)c1 4578392 MQJRASBQAMAAML-MNDPQUGUSA-N 353.338 2.794 30 40 FFEB COc1cc(C#N)ccc1OCC(=O)NCCOc1ccc(Cl)cc1 7017363 RMXLFJOQXWMPBY-UHFFFAOYSA-N 360.797 2.794 30 40 FFEB N#Cc1cnn(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1N 8715314 AIBZTJCFOMKAMS-UHFFFAOYSA-N 361.287 2.758 30 40 FFEB Cc1ccc(NC(=O)[C@H](C)Sc2nc(N)c(C#N)cc2C#N)cc1F 18435233 SBGPXYNOWSZUNF-JTQLQIEISA-N 355.398 2.974 30 40 FFEB COc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(Cl)cc3)C2=O)cc1 408533811 KTMHHFCOBZWBRA-HNNXBMFYSA-N 371.780 2.950 30 40 FFEB CCNC(=S)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 33651498 FXFDMCATKJNPSS-SRZZPIQSSA-N 374.441 2.661 30 40 FFEB O=C(O)C1CCN(C(=O)c2ccc(C#CC3(O)CCCCC3)cc2)CC1 1442702 NBFBCVFGXITGLP-UHFFFAOYSA-N 355.434 2.670 30 40 FFEB CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cccc(C#N)c2)cc1 7263891 BPYHFVZRMVKGMZ-UHFFFAOYSA-N 364.449 2.882 30 40 FFEB C[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 23732419 CBLVPJDXPSGKBJ-MRXNPFEDSA-N 355.463 2.626 30 40 FFEB CC(=O)N(C)CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 55823909 BHBZTMCYLZHJLI-UHFFFAOYSA-N 351.406 2.748 30 40 FFEB CCO[C@@H](C)c1noc(CN2CCCN(Cc3ccccc3C#N)CC2)n1 75861905 ASGJXHYLTDBSFU-INIZCTEOSA-N 369.469 2.747 30 40 FFEB COc1ccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1 408751590 AEGOMJHFNLOCKI-MBTVCVBTSA-N 367.430 2.770 30 40 FFEB N#Cc1ccc(NC(=O)N2CC3(CC(=O)N(Cc4ccccc4)O3)C2)cc1 1549163100 YWNMMUQIIYHMGU-UHFFFAOYSA-N 362.389 2.509 30 40 FFEB C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)CCC)cc21 9170990 DQGXZCUJUDJEBE-UHFFFAOYSA-N 352.456 2.776 30 40 FFEB COC(=O)COn1c(-c2ccc(OC)cc2)cc2cc(C#N)c(C#N)cc21 78546407 QCCHHTPOANORGP-UHFFFAOYSA-N 361.357 2.662 30 40 FFEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cccs1 13733876 IEENCCKORPEHJU-MRXNPFEDSA-N 371.462 2.673 30 40 FFEB Cc1ccc([C@@H]2C(C(=O)/C=C/c3ccccc3)=C(O)C(=O)N2CCO)cc1 100563458 WJIFHSMGEWLWPV-RGFVMQALSA-N 363.413 2.965 30 40 FFEB C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(O)nn1 58218469 PMPGPHVKMTURPR-UHFFFAOYSA-N 366.190 2.912 30 40 FFEB Cc1ccc2c(c1)/C(=N/NC(N)=S)C[C@@H](C)N2C(=O)c1ccccc1 4592251 OQUQFALLVRPJBK-IQQDNESTSA-N 352.463 2.971 30 40 FFEB COC(=O)c1c(/N=C/c2cccc(OC)c2O)sc2c1CCN(C)C2 33334664 HWGHVWXWOQVQGH-DJKKODMXSA-N 360.435 2.987 30 40 FFEB Cn1ccc2ccc(NC(=O)N3CCN(c4cnccc4C#N)CC3)cc21 577459216 UDQNGKITPUSGTA-UHFFFAOYSA-N 360.421 2.799 30 40 FFEB N#Cc1cccc(C(=O)N2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)c1 96161353 ANNABBNGLPOJBQ-IBGZPJMESA-N 359.429 2.694 30 40 FFEB C=CCNC(=S)Nc1nc(N2CCCC2)cc(N2CCCC[C@H]2C)n1 260708092 DAXUYUWUVHSHKX-CQSZACIVSA-N 360.531 2.928 30 40 FFEB Cc1nn(CCC#N)c(C)c1[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)C1 12603335 YXUUEAIWUXOYMJ-IAGOWNOFSA-N 370.478 2.804 30 40 FFEB biogenic,in-vitro CCOc1ccc(/C=N/n2c(S)nnc2-c2cc(C)n[nH]2)cc1OC 5573360 AZGFYWQIPDQDSI-RQZCQDPDSA-N 358.427 2.555 30 40 FFEB CCOC(=O)c1cc(C#N)c(SCc2nc3ccccc3[nH]2)[nH]c1=O 6402093 JSCHTVWPFZNLEK-UHFFFAOYSA-N 354.391 2.592 30 40 FFEB Cc1ccc(OCCN(C)C[C@H](O)COc2ccc(CC#N)cc2)cc1 25699672 UHKCOLQTRAHTLD-IBGZPJMESA-N 354.450 2.812 30 40 FFEB N#CCc1ccc(OC[C@H](O)Cn2cnc3ccc(Cl)cc3c2=O)cc1 14093049 GABJHGXONDUXIN-OAHLLOKOSA-N 369.808 2.556 30 40 FFEB COCc1cc(C)n(CC(=O)Nc2c(C)cc(C)cc2C)c(=O)c1C#N 4510815 VDCUKRYMVRNQGV-UHFFFAOYSA-N 353.422 2.739 30 40 FFEB Cc1nc2ccccc2n1CCc1noc(CN(C)c2ccc(C#N)cn2)n1 97377772 KPPGPINIOPNILL-UHFFFAOYSA-N 373.420 2.874 30 40 FFEB C=CCNC(=O)C1=C(c2ccccc2)c2ccccc2N(C)S1(=O)=O 20063383 YGMLQISENOTECV-UHFFFAOYSA-N 354.431 2.528 30 40 FFEB C=C(C)COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)OC3(C)C)cc1OC 72324597 CIGJVTHOCYHBJF-ZDUSSCGKSA-N 357.406 2.843 30 40 FFEB biogenic COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)C=O)cc1 252515811 NUBHEBBYQNIHIF-QRVBRYPASA-N 355.415 2.652 30 40 FFEB CCc1ccccc1N1/C(=N/C(=O)C(C)C)S[C@@H]2CS(=O)(=O)C[C@H]21 16741020 RAYFDGAOQZDYMO-WTIYMYMHSA-N 366.508 2.506 30 40 FFEB C=CCNc1oc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc1C#N 12421099 CVKHMWFVIJIATA-UHFFFAOYSA-N 372.450 2.986 30 40 FFEB C[C@H](C(=O)N1CCCCCC1)N1CCCN(Cc2ccc(C#N)cc2)CC1 21406363 MQUVHEDNGFTCBK-LJQANCHMSA-N 368.525 2.857 30 40 FFEB O=CC1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] 33354956 CMTNJZUIDCMXQZ-UHFFFAOYSA-N 374.221 2.631 30 40 FFEB COc1cccc([C@@H]2O[C@@]3(C)OC(=N)[C@](C#N)([C@H]3C)C2(C#N)C#N)c1OC 102716188 JSIXCCUXPRCOEI-FGLZHVGKSA-N 366.377 2.678 30 40 FFEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccs1 19997157 UQPQGJHTQLYJMK-MRXNPFEDSA-N 356.447 2.888 30 40 FFEB COc1ccc(-c2nnc(S)n2/N=C\c2ccccc2C(=O)O)cc1 32577023 GGLFBCDYAQKQSA-ZDLGFXPLSA-N 354.391 2.823 30 40 FFEB COC(=O)c1ccc(NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1 4119701 UVNYFOSWJHXILN-AORWBKJGSA-N 370.327 2.521 30 40 FFEB COc1ccc(C(=O)CSc2nc(C)c(C(N)=O)c(C)c2C#N)cc1 974571 VJLAZNFNSXAQHS-UHFFFAOYSA-N 355.419 2.653 30 40 FFEB COc1cc(/C=N/O[C@@H](C)C(=O)Nc2cc(C)on2)ccc1OC(F)F 23198297 CWUXCGOZRPTNCE-WHGJXMNKSA-N 369.324 2.971 30 40 FFEB C=CCNC(=O)[C@H](C)Sc1nc2cc3ccccc3cc2c(=O)n1C 8176368 ISXXTQUJBBYUPR-LBPRGKRZSA-N 353.447 2.870 30 40 FFEB Cc1ccc(-c2csc3ncn(CC(=O)NCCC#N)c(=O)c23)s1 12982079 IHYWKZMGELCGKY-UHFFFAOYSA-N 358.448 2.525 30 40 FFEB CCN1C(=O)C(=CNc2sc(C)c(C)c2C#N)C(=O)N(CC)C1=S 5909188 OAWOANNDJXJTRV-UHFFFAOYSA-N 362.480 2.528 30 40 FFEB COc1cc2c(cc1OC)[C@@H](N/C=C1/C(=O)Oc3ccccc3C1=O)CC2 1547200819 IQEKDTGCUCWTJZ-SFKKXYGYSA-N 365.385 2.967 30 40 FFEB N#Cc1cccc(N[C@H]2CO[C@@]3(CCN(Cc4ccc(F)cc4)C3)C2)n1 96047674 XEXRAPJTALDNQM-QUCCMNQESA-N 352.413 2.938 30 40 FFEB COc1cc(/C(C)=N/Nc2ccc(C(=O)O)cc2)ccc1S(C)(=O)=O 57777449 XJCUEZCAHQPOAC-WOJGMQOQSA-N 362.407 2.633 30 40 FFEB CC1=CC(=O)/C(=C\Nc2ccc(-c3n[nH]c(-c4cccnc4)n3)cc2)C(=O)O1 1547200730 AJMRIIVYWJRHBR-LFIBNONCSA-N 373.372 2.859 30 40 FFEB N#Cc1ccnc(N2CCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)c1 24202536 VSGQDKOJRQLOFU-UHFFFAOYSA-N 360.377 2.736 30 40 FFEB C=CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F 3579977 JBZBWOXFKMLALZ-UHFFFAOYSA-N 369.421 2.919 30 40 FFEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccnn3C)c2C#N)C1 4646661 WPAWIFPPAYJRLW-VIFPVBQESA-N 359.480 2.605 30 40 FFEB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1sc3c(c1C#N)CCCC3)CS2 69086621 LQABPRWILCYERQ-SJKOYZFVSA-N 361.492 2.891 30 40 FFEB C=CCOc1cccc(NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)c1 408615330 OZNAOLSSNKSHGP-UHFFFAOYSA-N 374.462 2.965 30 40 FFEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 38194759 OELLKKNPJAFMKR-PDGQHHTCSA-N 371.353 2.786 30 40 FFEB CCOC(=O)[C@](C)(/C=N\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 17060720 UPLAEZJRLOKVSO-HZQOKBKYSA-N 374.462 2.780 30 40 FFEB N#Cc1cc2c(nc1N1CCC(c3nnc(C4CC4)o3)CC1)CCOC2 1888866800 SIZARMVUFMOLNQ-UHFFFAOYSA-N 351.410 2.670 30 40 FFEB COC(=O)C[C@@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccc(F)cc1 40158701 CKFFWMHYIDMRPI-SCLBCKFNSA-N 370.380 2.885 30 40 FFEB C=CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(CC)c2)c1=O 51316070 BQAVYSKAYLZDOI-UHFFFAOYSA-N 363.417 2.550 30 40 FFEB N#Cc1c(NC(=O)c2cccc(-n3cnnc3)n2)sc2c1CCCC2 21721074 NMKUQPFUBPTIQL-UHFFFAOYSA-N 350.407 2.727 30 40 FFEB CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3sccc3C#N)ccc21 12517046 VLEFMGJBEQIZRB-NSHDSACASA-N 354.435 2.968 30 40 FFEB N#Cc1cc([N+](=O)[O-])ccc1N1CCN(CCCOCC(F)(F)F)CC1 57150908 ZCQCIQHBIJAJOI-UHFFFAOYSA-N 372.347 2.557 30 40 FFEB C#CCOc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O 408870533 SVIZGCPPPDHJQV-SSZFMOIBSA-N 362.410 2.530 30 40 FFEB Cc1ccccc1-c1nnn(CC(=O)Nc2ccc(C#N)c(Cl)c2)n1 5326835 XPCFSLNHAGBEQT-UHFFFAOYSA-N 352.785 2.812 30 40 FFEB CC(C)C[C@H](C(=O)[C@H](C#N)c1ccccn1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 6509681 MOKBSNJGNVFRFU-KYHPRHEASA-N 365.433 2.624 30 40 FFEB COc1cccc(CNC2CCN(c3ccc(C#N)cn3)CC2)c1OC 67011069 POCSZAQBBLIBEV-UHFFFAOYSA-N 352.438 2.729 30 40 FFEB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1/C=N/c1ccccc1O 408744188 ZBFPVURVDWDCJZ-BFNDQCEFSA-N 373.821 2.812 30 40 FFEB Cc1ccc(CN2C[C@H]3CN(Cc4cccc(C#N)c4)CCN3C2=O)cc1 85436235 KZYXCJPBGFIEHO-OAQYLSRUSA-N 360.461 2.989 30 40 FFEB biogenic,in-vitro C=CCOc1cccc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 223736840 GWFJYXFCLHDAQS-UHFFFAOYSA-N 362.407 2.980 30 40 FFEB COC1(c2nc(CC(F)(F)F)no2)CCN([C@H]2CC[C@@H](C#N)C2)CC1 328831013 KTXCIWZVCFXNIO-NEPJUHHUSA-N 358.364 2.804 30 40 FFEB N#Cc1ccnc(N2CCC[C@@H](COc3ncc(Br)cn3)C2)c1 1775995979 PLASKNYZSCWYAO-CYBMUJFWSA-N 374.242 2.801 30 40 FFEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccn2)cc1 17044842 UQCAIOVPBMIOEJ-SFHVURJKSA-N 365.433 2.530 30 40 FFEB N#Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 17073000 GRMFSERXQPIWFB-UHFFFAOYSA-N 352.350 2.555 30 40 FFEB N#Cc1cn(Cc2ccccc2)c2cc(N3CCOCC3)c(F)cc2c1=O 1775967303 LDWSNAOQTUDKEB-UHFFFAOYSA-N 363.392 2.897 30 40 FFEB O=C(c1ccco1)N1CCC[C@H](/C(O)=N/c2nc(C(F)(F)F)n[nH]2)C1 40071130 ZKHGTGQZIPYBDH-QMMMGPOBSA-N 357.292 2.557 30 40 FFEB COc1ccccc1NC(=O)c1ccc2c(c1)N(CC#N)C(=O)C(C)(C)O2 4965765 QWKRZWDPQFOBSQ-UHFFFAOYSA-N 365.389 2.975 30 40 FFEB O=[N+]([O-])c1cccc(N/N=C/CCC/C=N/Nc2cccc([N+](=O)[O-])n2)n1 8617761 SJVUOPDWIYRTPG-OTYYAQKOSA-N 372.345 2.959 30 40 FFEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1ccc(O)cc1 102716750 JOMLXCZMXHMHBC-GROYHEBESA-N 371.389 2.752 30 40 FFEB C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CC(=O)Nc1cccc(F)c1 3433447 KKHRFNHGYIGINB-ZDUSSCGKSA-N 354.385 2.595 30 40 FFEB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccccc2C#N)c1 6788771 XXVDIJHGJWSSKJ-UHFFFAOYSA-N 364.810 2.681 30 40 FFEB CCN(CCCNC(=O)CNc1ccc(C#N)cc1)C(=O)OC(C)(C)C 69980124 UZPKVJXNZJWXDO-UHFFFAOYSA-N 360.458 2.733 30 40 FFEB C[C@H](OC(=O)c1ccc2nc(N)sc2c1)C(=O)Nc1cccc(C#N)c1 7057221 QWKSQIQAQVWCAW-JTQLQIEISA-N 366.402 2.934 30 40 FFEB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C#N)c2)c1 15644232 PEKGUFSBQBYALN-UHFFFAOYSA-N 357.435 2.839 30 40 FFEB COC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 218154108 NIVOSQLITCKFAG-FHWLQOOXSA-N 371.414 2.511 30 40 FFEB N#CCCn1cc(/C=C/C(=O)N2CCC3(C2)OCCO3)c2ccccc21 95394155 ONNNNJCIBQKAQI-VOTSOKGWSA-N 351.406 2.544 30 40 FFEB COc1c(Br)cc(Br)cc1/C=N/n1cnnc1 5356785 IGFCELPPIXEQOO-SYZQJQIISA-N 360.009 2.694 30 40 FFEB N#Cc1ccccc1-c1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)o1 9234770 QUFBCEBHGUHEIM-SOFGYWHQSA-N 350.290 2.686 30 40 FFEB N#Cc1ccccc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 5438463 CGVWEKMKLZFUBM-UHFFFAOYSA-N 355.419 2.741 30 40 FFEB CCOc1ccc(-c2nc(C#N)c(NCCCN3CCOCC3)o2)cc1 20149704 HPLRMNCTYZNIGO-UHFFFAOYSA-N 356.426 2.746 30 40 FFEB CCNC(=O)Nc1c[nH]nc1[C@H]1CCCN(CC#Cc2ccc(F)cc2)C1 96000027 MVCKLHUZBULVCE-INIZCTEOSA-N 369.444 2.921 30 40 FFEB C[C@@H](C(=O)N(C)C1(C#N)CCCCC1)N1CCN(c2ccccc2)CC1 57352459 PUWIHAOZAUDICS-SFHVURJKSA-N 354.498 2.882 30 40 FFEB COC(=O)[C@@]1(C)/C(=N\NS(=O)(=O)c2ccc(C)cc2)CCC[C@H]1C 104294611 LWLNBYRIVLIODI-KGRHLLFESA-N 352.456 2.629 30 40 FFEB CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1cccnc1 10231033 YJIHBDQZQIKWNM-UHFFFAOYSA-N 364.434 2.962 30 40 FFEB COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1C[C@@H](C)C[C@@H](C)C1 12808103 OTBPOSDEPPIZPW-GASCZTMLSA-N 360.502 2.930 30 40 FFEB CCCOc1nc2ccccc2nc1[C@H](C#N)C(=O)NCc1ccco1 5452281 UQBGIYGKUZFFDB-AWEZNQCLSA-N 350.378 2.935 30 40 FFEB Cc1c(C(=O)OCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)cnn1C 96793912 OZTNQRLIFIIDNN-ZDLGFXPLSA-N 353.422 2.766 30 40 FFEB Cc1ccc(NC(=O)CN(C)CC(=O)N(C)C2(C#N)CCCCC2)cc1 7016577 ZMGZSGZDWGPHFG-UHFFFAOYSA-N 356.470 2.550 30 40 FFEB CC(C)Cc1n[nH]c(/N=C(\O)Cn2cc(-c3ccccc3)ncc2=O)n1 95474829 RUJYTRFAHCJKDC-UHFFFAOYSA-N 352.398 2.515 30 40 FFEB Cc1nn(-c2ccccc2)c(O)c1/C=N/n1c(C)nc2ccccc2c1=O 3039318 XUXBMJCWVXXIEP-CIAFOILYSA-N 359.389 2.787 30 40 FFEB COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3)C(=O)N2C)cc1 14001700 PSPNNXRTVYPEMT-MEUCICPISA-N 355.419 2.895 30 40 FFEB COC(=O)C[C@]1(O)C(=O)C=C(c2ccc(C)cc2)N1c1ccccc1OC 904500 ZGYYMHBGNOONEP-NRFANRHFSA-N 367.401 2.686 30 40 FFEB CC(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 101301140 ZYKOEFYZHAJQSR-BLCHQYFCSA-N 372.899 2.597 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 8562389 TVCYNVUONLUASP-ZDUSSCGKSA-N 369.377 2.917 30 40 FFEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 104034460 SBWFGPHREUYNQB-UYTDBDHRSA-N 352.346 2.955 30 40 FFEB COC(=O)C(=O)C1=C(c2cccs2)NC(S)=N[C@H]1c1cccs1 52538472 BNQSNSAIXBPMNQ-NSHDSACASA-N 364.473 2.893 30 40 FFEB O=C1C(Cl)=C(N[C@@H](Cc2ccccc2)C(=O)O)C(=O)c2ccccc21 2347372 AYFLTZYOWGIUKT-AWEZNQCLSA-N 355.777 2.802 30 40 FFEB COC(=O)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)C(C)=O 36612764 MOXSAMJLCJQEAO-LFIBNONCSA-N 368.345 2.993 30 40 FFEB COc1ccccc1OCCCN1C(=O)/C(=N\O)c2cc([N+](=O)[O-])ccc21 46084781 GKOQCGLCBDFSJC-ZPHPHTNESA-N 371.349 2.597 30 40 FFEB N#Cc1ccc(I)c(OCC(=O)C2CCOCC2)c1 281092384 XMELUMOQGSTJBJ-UHFFFAOYSA-N 371.174 2.537 30 40 FFEB CCOC(=O)[C@@](C)(/C=N\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 17060718 UPLAEZJRLOKVSO-QIYXJHPLSA-N 374.462 2.780 30 40 FFEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NC[C@H]2CCCO2)n1 10399497 CGCIMJYJBSWEPO-SNVBAGLBSA-N 359.373 2.668 30 40 FFEB C#CCOc1c(Br)cc(/C=C2\SC(=O)NC2=O)cc1OC 4699326 NLIAKAMREVRFNU-XFFZJAGNSA-N 368.208 2.794 30 40 FFEB C#CCN1CCCC[C@@H]1C(=O)NCCOc1ccccc1C(F)(F)F 72270358 UQRYXCCREHLDDR-OAHLLOKOSA-N 354.372 2.688 30 40 FFEB N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@@H](O)C2CCCCC2)n1 542839552 SMDLKWPMXKWLBF-QGZVFWFLSA-N 371.416 2.946 30 40 FFEB COC(=O)COc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1OC 408913581 VOFYTWHHPXERDQ-ZDLGFXPLSA-N 359.338 2.601 30 40 FFEB C#CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1 408981409 BDTBMRBQKZJDHM-RGEXLXHISA-N 374.396 2.927 30 40 FFEB CCc1nc2n(n1)C[C@@H](/N=C(/O)[C@@H]1CN(Cc3ccccc3)C[C@H]1C)CC2 329054301 XJUXJSRPDWXPTP-BPQIPLTHSA-N 367.497 2.880 30 40 FFEB N#Cc1c(CCCNC(=O)[C@@H]2CC=CCC2)nn(-c2ccc(F)cc2)c1N 31778998 ZLMYJLGPBAWERH-CQSZACIVSA-N 367.428 2.870 30 40 FFEB C/C(=N/N=C\c1cccc2ccccc12)c1nnn(-c2nonc2N)c1C 4482149 XUWPWCDERNQHBE-JTMCVSSMSA-N 360.381 2.537 30 40 FFEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1cccs1 5799886 DQIOMYMAAOJRRY-IBOXJLQUSA-N 356.447 2.731 30 40 FFEB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)NC2=C1C(=O)CC(C)(C)C2 100257132 CKWNGNMRBIWXPT-LBPRGKRZSA-N 371.393 2.621 30 40 FFEB COC(=O)c1cc(C#N)c(=O)n(CC(=O)c2cc(C)c(C)c(C)c2C)c1 31806154 VFHVSUPWVQOTPY-UHFFFAOYSA-N 352.390 2.623 30 40 FFEB C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(Cc2ccsc2)CC1 22914784 TUGAKLHGNOZXSL-HNNXBMFYSA-N 354.479 2.765 30 40 FFEB N#Cc1ccc(N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)nc1 25265328 VTQGVAFZLNZWGZ-UHFFFAOYSA-N 364.405 2.580 30 40 FFEB COC(=O)COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1 408932725 YWDVTENCQBACAU-KGENOOAVSA-N 354.406 2.826 30 40 FFEB CC(C)c1ccc(-c2nnn(C[C@@H](O)COc3ccc(C#N)cc3)n2)cc1 10415209 QQZQVDWJLAEEJV-GOSISDBHSA-N 363.421 2.775 30 40 FFEB N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 7309525 HKDVHZFMCKOGRI-KRWDZBQOSA-N 370.430 2.855 30 40 FFEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccncc2)no1 9411239 MNNHRYLZPCCNTL-OAHLLOKOSA-N 351.318 2.754 30 40 FFEB C=CCOC(=O)c1nnc2c(-c3ccc(OC)c(OC)c3)c(C)nn2c1C 14164795 QXRZSEPADDLDDK-UHFFFAOYSA-N 368.393 2.768 30 40 FFEB N#Cc1ccccc1OCC(=O)N1CCN(C/C=C/c2ccccc2)CC1 25777998 IVJMOPRKYIFVQB-RMKNXTFCSA-N 361.445 2.795 30 40 FFEB C=CCO[C@@H]1C=CC=C[C@H]1[C@@H](c1c(O)n[nH]c1C)c1c(C)nn(C)c1O 408920902 LOPNJSJKWJYGLS-CPUCHLNUSA-N 356.426 2.617 30 40 FFEB C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)n1nc(-c2ccco2)oc1=O 14166237 ASJZAOOUAAFARL-VIFPVBQESA-N 358.741 2.821 30 40 FFEB COc1cccc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)c1OC 7181776 OGQBBIFGFFZJEY-CYBMUJFWSA-N 360.410 2.592 30 40 FFEB Cn1c(SCC(=O)NC2(C#N)CCCCC2)nnc1-c1ccccc1 9482597 ZHPPSOUHJATOKK-UHFFFAOYSA-N 355.467 2.917 30 40 FFEB CCc1[nH]nc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] 97001728 NQJDEJIFXWITLJ-UHFFFAOYSA-N 366.299 2.681 30 40 FFEB COC(=O)c1cccc(Cn2cc(/C=N/n3cnnc3)c3ccccc32)c1 408543139 PKOFOHVHMGVLBW-AUEPDCJTSA-N 359.389 2.950 30 40 FFEB COC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1ccccc1OC 49545095 MCFVBMJAYLNRGA-QGZVFWFLSA-N 353.378 2.700 30 40 FFEB N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC(CCO)CC2)n1 543771423 OIJDPORBLAQQHL-UHFFFAOYSA-N 357.389 2.509 30 40 FFEB C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F 5800242 HSZXRSVFPWWVTD-SJCJKPOMSA-N 355.365 2.785 30 40 FFEB Cc1cccc(C)c1NC(=O)CN(C)CC(=O)NC1(C#N)CCCCCC1 31157277 HIWDMDUWLWNSHI-UHFFFAOYSA-N 370.497 2.907 30 40 FFEB Cc1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2ccco2)s1 102752512 XHOHXUDDHQAAPX-OWRWYXLESA-N 357.347 2.659 30 40 FFEB O=C1C(=C(NCc2cccnc2)NCc2cccnc2)C(=O)c2ccccc21 102873515 PYXSLIWXAGYMSM-UHFFFAOYSA-N 370.412 2.647 30 40 FFEB C=CCN(CC=C)[C@@H](CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])C(C)C 24842372 RAHGBFLLDRVSQU-HNNXBMFYSA-N 371.441 2.713 30 40 FFEB C=CCN(CCc1ccccc1)C(=O)c1cnn(-c2ccc(O)nn2)c1C 58226992 UEDZIKHXBKBWMY-UHFFFAOYSA-N 363.421 2.547 30 40 FFEB O=S(=O)(N/N=C\c1c[nH]nc1-c1ccc(F)cc1)c1ccc(F)cc1 17074509 KBLBYLYIQFSOQB-JMIUGGIZSA-N 362.361 2.667 30 40 FFEB CCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1=O 6651168 SRFJEVVFADQWAV-QGZVFWFLSA-N 362.817 2.651 30 40 FFEB Cc1csc([C@@H](C#N)C(=O)CSc2nnc(NC3CC3)s2)n1 7935136 LWPFOURHJDVTNE-VIFPVBQESA-N 351.482 2.846 30 40 FFEB C#CCn1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c2ccccc21 409368545 BKCYUOYZNFSMQF-FRUHSDKASA-N 369.424 2.662 30 40 FFEB CC(C)n1c(C#N)cc(N)c1N1CCN(c2ccc3c(c2)OCO3)CC1 225871231 JPOMLMBYSBXGGD-UHFFFAOYSA-N 353.426 2.578 30 40 FFEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)cc(C)c1 101309325 ZHRHMSXBYWSJRA-NHYXNVPJSA-N 366.508 2.705 30 40 FFEB Cn1c(=O)c2ccccc2n2c(SCc3ccc(C#N)cc3F)nnc12 12542462 KYWNKXWFCXTSEH-UHFFFAOYSA-N 365.393 2.884 30 40 FFEB COc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 408530677 FOURJRCMPVXUND-MRXNPFEDSA-N 351.362 2.605 30 40 FFEB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1NS(C)(=O)=O 48356377 BIRAMMZGZPPZKO-CYBMUJFWSA-N 373.434 2.644 30 40 FFEB O=C1N/C(=N\N=C/c2ccccc2)S[C@H]1Cc1ccccc1[N+](=O)[O-] 5009901 YDODFSWGFLYADU-GZQZNAIASA-N 354.391 2.759 30 40 FFEB CCOC(=O)c1c(NC(=O)CN(CC)CC)sc2c1CCC/C2=N/O 13941940 OLBAOWISRQKCOL-UNOMPAQXSA-N 367.471 2.720 30 40 FFEB Cc1ccc(C/C(O)=N/S(=O)(=O)c2ccc3c(c2)OCCO3)s1 65763681 PDNXIJAQDQMKEE-UHFFFAOYSA-N 353.421 2.716 30 40 FFEB C[C@@H](C(=O)Nc1ccccc1C#N)N1C(=O)NC2(CCCCCC2)C1=O 8343273 WETYRGITIKZYQT-ZDUSSCGKSA-N 354.410 2.530 30 40 FFEB N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CC[C@H]1Cc1ccccc1 72311988 RAWSORZWUFYHGX-FQEVSTJZSA-N 371.444 2.999 30 40 FFEB COc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3ccccc3Cl)C2=O)cc1 408528516 BLOMRSOHNKQZOF-ZDUSSCGKSA-N 371.780 2.950 30 40 FFEB N#C[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 218599544 FNNGALRYOOUWSV-JYJNAYRXSA-N 350.802 2.640 30 40 FFEB C[C@H]1CN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@H]23)C[C@H](C)O1 217379651 ADDHZWLTSYXUMP-MJCJPCEJSA-N 363.498 2.621 30 40 FFEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 5006530 JVRYMHPSERKQQS-SFQUDFHCSA-N 364.357 2.623 30 40 FFEB O=S(=O)(Nc1ncccn1)c1ccc(/N=C/c2ccccc2O)cc1 17148909 XKOXWIOXLHFGSO-UDWIEESQSA-N 354.391 2.734 30 40 FFEB C=CCNc1nc(C(=O)OCC(=O)c2ccc3c(c2)CCC(=O)N3)cs1 21398453 VYPYZGWPEWCLJF-UHFFFAOYSA-N 371.418 2.665 30 40 FFEB CC1(C)OB(C2CCN(C(=O)N[C@H]3CCCOCC3)CC2)OC1(C)C 1776007590 NOHILQNVVATVBK-HNNXBMFYSA-N 352.284 2.823 30 40 FFEB N#Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)cc1 40086749 GVRNTYLAXRIOSW-UHFFFAOYSA-N 359.407 2.578 30 40 FFEB Cc1[nH]cnc1CSCCNC=C1C(=O)CC(c2ccco2)CC1=O 100430875 DTHOPYGBEDULDM-UHFFFAOYSA-N 359.451 2.734 30 40 FFEB N#C[C@@H]1C(=O)N=C(N2CCC(Cc3ccccc3)CC2)NC12CCCC2 10382052 PVEMCGDSQIPDIL-GOSISDBHSA-N 350.466 2.879 30 40 FFEB C[C@@H]1Oc2ccccc2N(CCC(=O)OCc2ccc(C#N)cc2)C1=O 16191427 JIUKZEWNUCXGHQ-AWEZNQCLSA-N 350.374 2.806 30 40 FFEB C=CCn1c(Sc2ccc3nnnn3n2)nnc1-c1ccc(Cl)cc1 14199956 HHOVGKAAONYCLB-UHFFFAOYSA-N 370.829 2.768 30 40 FFEB COc1ccccc1NC(=O)O/N=C(\N)CC(=O)Nc1ccccc1C 6585919 ODQHFQOPUPHIJC-UHFFFAOYSA-N 356.382 2.853 30 40 FFEB N#Cc1c(N2CCN(CCc3cnccn3)CC2)cccc1-n1cccc1 603418487 KASWOYVDBJGBCI-UHFFFAOYSA-N 358.449 2.504 30 40 FFEB C=CCN[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(O)C#Cc1ccccc1 1547139769 GBGITFZYESMIAG-RXVVDRJESA-N 356.466 2.554 30 40 FFEB N/C(=N\c1ccc2c(c1)OCCO2)SCc1nc2ccsc2c(=O)[nH]1 19671993 IWWLBTWNGSOVFK-UHFFFAOYSA-N 374.447 2.635 30 40 FFEB CCN1CCN(Cc2c(O)ccc3c2O/C(=C\c2cccnc2)C3=O)CC1 20519305 OCJYFILZGPGGSP-UNOMPAQXSA-N 365.433 2.541 30 40 FFEB C=CCn1c(SCC(=O)NC(=O)NC(C)C)nnc1C1CCCCC1 3485576 NASFSYJJMOLRCR-UHFFFAOYSA-N 365.503 2.838 30 40 FFEB C[C@H]1CCc2c(sc(NC(=O)COc3ccc(C#N)cc3)c2C(N)=O)C1 2638879 NVJKUIXEEHAVIH-NSHDSACASA-N 369.446 2.861 30 40 FFEB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 4897164 VZDIQCCVBGYEMW-QWQRBHLCSA-N 374.452 2.843 30 40 FFEB CCC[C@@H](CC[n+]1c(C)n(CC)c2ccc(C#N)cc21)S(=O)(=O)O 4904777 ZTHRGHJFPZRSTP-HNNXBMFYSA-O 350.464 2.575 30 40 FFEB C=CC[C@@]12C[C@H](OC1=O)[C@H]1[C@@H](CC=C3CC4(CC[C@]31C)OCCO4)C2=O 104263389 HPJIPJBUJISTCO-YMBUTIGBSA-N 358.434 2.943 30 40 FFEB COc1ccc(Br)cc1[C@H]1C(C(C)=O)=C(C)Nc2ncnn21 959029 PSNBHQNLLGNKPJ-AWEZNQCLSA-N 363.215 2.927 30 40 FFEB COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 3073413 CYIVTFANSFLSMR-OAHLLOKOSA-N 357.406 2.796 30 40 FFEB O=c1[nH]c2ccccc2c(=O)n1/N=C/c1cc(Cl)cc(Cl)c1O 6508024 UMFCQZKKHBDTFO-CNHKJKLMSA-N 350.161 2.584 30 40 FFEB Cc1cc(I)cn(Cc2cccc(C#N)c2)c1=O 95441085 NKIUBBKMSOEDOS-UHFFFAOYSA-N 350.159 2.681 30 40 FFEB CCOc1cc(/C=C2/C(=O)ON=C2C)cc(I)c1O 408934247 DGIKRUHTPNUKQX-RUDMXATFSA-N 373.146 2.712 30 40 FFEB COC(=O)COc1ccc(/C=N/n2c(S)nnc2-c2ccccc2)cc1 409055144 CWSVOSSGQKNNMD-YBFXNURJSA-N 368.418 2.668 30 40 FFEB N#Cc1cc([N+](=O)[O-])ccc1N1CCCN(C(=O)c2ccc(F)cc2)CC1 32776843 IIZZQQRLEQIXLV-UHFFFAOYSA-N 368.368 2.958 30 40 FFEB C=CCOc1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1 222414995 APDPCAKWTJPFFC-UHFFFAOYSA-N 360.435 2.900 30 40 FFEB C[C@@H](Oc1ccccc1)C(=O)N1CCC(Oc2ncccc2C#N)CC1 96102862 MOKDFTGLTVDGQS-OAHLLOKOSA-N 351.406 2.791 30 40 FFEB COC(=O)c1ccc(/C=N/OCC(=O)N[C@H](C)CCc2ccccc2)cc1 3319484 DXVIMVQQDZHBSO-CAUNFOBBSA-N 368.433 2.961 30 40 FFEB COc1cc(/C=N\N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O 12405031 YARKTHNUMGKMGS-QJUDHZBZSA-N 360.366 2.585 30 40 FFEB C=C1C(=O)[C@@]23[C@@H](CC[C@H]1[C@H]2OC(C)=O)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O 257477099 LSUXOKVMORWDLT-CJXIQINYSA-N 374.477 2.846 30 40 FFEB biogenic CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccccc1)C1=C(N2)c2ccccc2C1=O 3646425 AWXNAWDPRPCBQU-HNNXBMFYSA-N 371.396 2.722 30 40 FFEB Cc1cc([C@@H](C#N)C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)nc(C)n1 41560337 SKMOTZHWHOBARO-PKOBYXMFSA-N 374.444 2.812 30 40 FFEB O=C1[C@@H]2[C@H](C(=O)N1/N=C/c1cccc(Br)c1)[C@H]1C=C[C@H]2C12CC2 105423099 DFIHFGBEVIWCDN-AMJPZWGQSA-N 371.234 2.980 30 40 FFEB CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 4248271 OEYSZRRPWPURQZ-HNNXBMFYSA-N 365.433 2.757 30 40 FFEB C=CCN(CC(=O)Nc1cccc(C#N)c1)S(=O)(=O)c1ccccc1F 9447431 DNRRPMMZCWPNNS-UHFFFAOYSA-N 373.409 2.513 30 40 FFEB C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1ccccc1C)C2 14540556 IEOHTJPDLGNBOU-KRWDZBQOSA-N 352.482 2.726 30 40 FFEB N#Cc1cccc(C(=O)N2CC3(C[C@H](OCc4cccnc4)CS3)C2)c1 575403301 HPZRPBACKAVWRI-SFHVURJKSA-N 365.458 2.870 30 40 FFEB CCS(=O)(=O)c1ccc(/C=C\C=N/NC(=S)NCC(C)C)cc1 17160231 GAJGXBYKZDADFJ-DUTFHNRASA-N 353.513 2.599 30 40 FFEB COc1ccc([C@]2(C)NC(=O)N(/N=C/c3c(F)cccc3F)C2=O)cc1 3579734 LNPKJDFVCDMIJH-FWOHHPOZSA-N 359.332 2.775 30 40 FFEB O=C1/C(=C/c2ccc(F)cc2)Oc2c1ccc(O)c2CN1CCOCC1 4339691 SRZZNSNYIYMTPC-WQRHYEAKSA-N 355.365 2.980 30 40 FFEB N#CCN(C(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)C1CC1 68230694 AKFXCRCMRJMNTH-LJQANCHMSA-N 361.401 2.757 30 40 FFEB Cc1cc(C)n2c(SCC(=O)N(CCC#N)c3ccccc3)nnc2n1 3221395 KNVHJASJCMCOGD-UHFFFAOYSA-N 366.450 2.780 30 40 FFEB COc1ccc(/C=C/C(=O)c2cccc(NS(C)(=O)=O)c2)c(OC)c1 89432874 GKXZRZLUPFFWIH-CSKARUKUSA-N 361.419 2.971 30 40 FFEB CCOc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc(Cl)c1O 409183063 QWAIJDHQULAXCV-IQVBRWSCSA-N 374.824 2.975 30 40 FFEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F 32504639 OTGUYWADPVMQER-KRGDBVFUSA-N 370.471 2.617 30 40 FFEB N#Cc1nc(-c2ccccc2)oc1S(=O)(=O)N1CCc2ccccc2C1 96346329 UWAHCFBHUGFXTI-UHFFFAOYSA-N 365.414 2.960 30 40 FFEB CC(=O)O/N=C1/c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] 95681996 YHSFMGPTWMKOHE-NXVVXOECSA-N 372.249 2.707 30 40 FFEB N#Cc1ccc(CN2CCN(c3nccc(-c4cccnc4)n3)CC2)cc1 2087018049 BBBFIXBERNRUQZ-UHFFFAOYSA-N 356.433 2.732 30 40 FFEB COC(=O)c1ccc(COc2ccccc2/C=N/N2CCN(C)CC2)cc1 6673191 MVIHIDSJFKYLFC-PXLXIMEGSA-N 367.449 2.634 30 40 FFEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccccc2F)cc1 11914456 LMBPEVUJPLODHB-KRWDZBQOSA-N 355.365 2.705 30 40 FFEB CC[N+](CC)(CCOC(=O)C(c1ccccc1)c1ccccc1)CC(N)=O 3023657 TUDFKTZIKPSSRB-UHFFFAOYSA-O 369.485 2.704 30 40 FFEB COCCOc1cc(NC(=O)[C@@H](C)Oc2ccccc2C#N)ccc1OC 24940122 OKWSXDMPZZJICQ-CQSZACIVSA-N 370.405 2.998 30 40 FFEB Cc1ccnc(NC(=O)C2CCN(CCOc3cccc(C#N)c3)CC2)c1 58218773 JIUJTYCBMZBKDT-UHFFFAOYSA-N 364.449 2.991 30 40 FFEB C[C@H](OC(=O)c1cccc(C[S@](C)=O)c1)C(=O)Nc1cccc(C#N)c1 10778485 SCZZGOHEYVDYFP-WHDAMIPWSA-N 370.430 2.621 30 40 FFEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)ccc1C 5490250 NKQUDKCPKGZFEQ-QDASYUEBSA-N 366.508 2.705 30 40 FFEB Cc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(CC#N)cc1 7912315 QECWWTWYDIPVED-UHFFFAOYSA-N 364.434 2.768 30 40 FFEB C=CCn1c(C)cc(C(=O)Cn2c(S(C)(=O)=O)nc3ccccc32)c1C 9363977 WUZQFSFKXKBWNS-UHFFFAOYSA-N 371.462 2.927 30 40 FFEB C=CCSc1nnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 222896431 XENAVMFYPIHBRL-UHFFFAOYSA-N 372.453 2.834 30 40 FFEB CC(=O)c1cc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)n(C)c1 332418989 PEMGOYBMBDYINV-UHFFFAOYSA-N 370.840 2.715 30 40 FFEB C=C[C@@H](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)C(C)(C)c1ccccc1 1775990276 FJLZNMCGXLQPAA-HKUYNNGSSA-N 372.509 2.910 30 40 FFEB COc1ccc([C@@H]2Nc3nonc3NC3=C2C(=O)CCC3)c(OC)c1OC 12390782 FBKCXOWJFDVFPC-AWEZNQCLSA-N 372.381 2.681 30 40 FFEB C=CCn1c(C)nnc1SCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 3421439 GIOGQRLBTWERFL-UHFFFAOYSA-N 368.365 2.825 30 40 FFEB NC(=S)N1N=C(c2ccccc2)/C(=N\Nc2ccccc2Cl)C1=O 100530534 BKFSXWLBJMKAQU-XSFVSMFZSA-N 357.826 2.598 30 40 FFEB CCc1ccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)cc1 12903678 BRYNMXIDIHYKRV-UHFFFAOYSA-N 371.462 2.972 30 40 FFEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 5516409 ULZMFLOMHBUJAE-TWWIOWFMSA-N 372.899 2.742 30 40 FFEB N#CC1(NC(=O)COC(=O)Cc2c(F)cccc2Cl)CCCCC1 5508450 UMCGJSQXJSJWTE-UHFFFAOYSA-N 352.793 2.907 30 40 FFEB C=CCN1C(=O)/C(=C/c2ccc(OC(C)C)c(Cl)c2)C(=O)NC1=S 4723745 CDCHFKZXOHHVJL-XYOKQWHBSA-N 364.854 2.940 30 40 FFEB C=CCn1c(=O)c2ccccc2n2c(SCCc3ccncc3)nnc12 7033338 INFFKVHTAFCXRR-UHFFFAOYSA-N 363.446 2.960 30 40 FFEB C#CCOc1ccc2ccccc2c1/C=C1\SC(NC(C)=O)=NC1=O 409025086 LIGWVVUEBMRDOI-BOPFTXTBSA-N 350.399 2.958 30 40 FFEB Cc1cc(C)nc(SCC(=O)Nc2sc3c(c2C#N)CCN(C)C3)n1 408582224 MLEMAHOBRFCTRO-UHFFFAOYSA-N 373.507 2.745 30 40 FFEB C[C@H](/C(O)=N/C[C@H]1CCCO1)N1CCN(c2ccnc3ccccc23)CC1 329637337 YMATYTYMMVYAQL-IAGOWNOFSA-N 368.481 2.881 30 40 FFEB NC(=O)c1cccc(CO/N=C(/N)c2ccccc2CN2CCCCC2)c1 70006962 BOYVBGGKIVFTFL-UHFFFAOYSA-N 366.465 2.609 30 40 FFEB N#Cc1cc(NC(=O)Cc2nnc(O)c3ccccc23)nc2ccccc12 577797317 UCKFEWDJANBULF-UHFFFAOYSA-N 355.357 2.936 30 40 FFEB C#CCOc1cccc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)c1 12122205 JXAXGPDXRDWFDM-UHFFFAOYSA-N 372.428 2.815 30 40 FFEB N#Cc1cc2c(nc1NCc1nnc3n1C[C@@H](C(F)(F)F)CC3)CCC2 372132199 PGRIMTPEUIZSFW-LBPRGKRZSA-N 362.359 2.770 30 40 FFEB C=CCn1c(SCC(=O)NC(C)C)nc2c([nH]c3ccccc32)c1=O 5106715 FKJXWAAJBMFMHF-UHFFFAOYSA-N 356.451 2.681 30 40 FFEB C=CCn1c(=O)c(C(=O)Nc2nnc(CCC)s2)c(O)c2ccccc21 100512703 LCUZPBCSAKFXOY-UHFFFAOYSA-N 370.434 2.949 30 40 FFEB N#Cc1cccnc1N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 59384380 ILKQNBFVNCQGDD-UHFFFAOYSA-N 360.377 2.736 30 40 FFEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2ccc(O)cc2)no1 102894753 TZFXVDHTFVYEGF-UYTDBDHRSA-N 366.329 2.908 30 40 FFEB C#CCN(Cc1ccc(F)cc1)C(=O)c1cccc(N2C(=O)CCC2=O)c1 58191548 FPLJWEDAMQZHLU-UHFFFAOYSA-N 364.376 2.755 30 40 FFEB C[C@H]1CN(C(=O)CSc2nc3ccccc3n2CCC#N)C[C@H](C)O1 12633216 CVPXZRNJHSPMER-KBPBESRZSA-N 358.467 2.678 30 40 FFEB COc1ccc(C(C)(C)C)cc1NC(=O)Cn1nc(C)c(C)c(C#N)c1=O 12770865 BDGHATZQGNSYBF-UHFFFAOYSA-N 368.437 2.677 30 40 FFEB C=CCn1c(SCc2ccc(C)cc2)nnc1[C@@H]1CCS(=O)(=O)C1 14014401 RGVPTHYFDRGPIM-OAHLLOKOSA-N 363.508 2.967 30 40 FFEB C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccncc1 5382159 RLNFGFHYWPQJGD-MHWRWJLKSA-N 354.229 2.547 30 40 FFEB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(OCC#N)cc2)C1=O 409352560 DHNQZZJEWNVZGY-DYTQJMLRSA-N 374.418 2.967 30 40 FFEB Cc1cc(C)nc(NS(=O)(=O)c2ccc(N/C=C3\CCCC3=O)cc2)n1 5783672 VFWOMRXZZMWXKP-SDNWHVSQSA-N 372.450 2.943 30 40 FFEB N/C(=N\C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)Nc1nc2ccccc2o1 17147224 FOZCDKGEZZOIQN-UHFFFAOYSA-N 359.729 2.956 30 40 FFEB CC(C)c1ccc(-n2nnnc2SCC(=O)NC2(C#N)CCCC2)cc1 6589002 CRCJOEZGHJCIRK-UHFFFAOYSA-N 370.482 2.830 30 40 FFEB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)C(=O)O)cc1 218358115 VSUFQRGPXVZPND-SCTDSRPQSA-N 355.415 2.838 30 40 FFEB Cc1ccc2c(c1)/C(=N\CCC/N=C1/C(=O)Nc3ccc(C)cc31)C(=O)N2 18211138 SZRTTYISCXFRHO-UHFFFAOYSA-N 360.417 2.876 30 40 FFEB C=CCO[C@H]1CN(C(=O)c2cnc(Cl)cc2Cl)[C@@H]2CCCO[C@H]12 2055756336 DHCDSXAYMKYZAQ-IPYPFGDCSA-N 357.237 2.963 30 40 FFEB Cc1cccc(OC[C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)cc3)C2)n1 1775969521 WQHHQEXDONQCPE-QGZVFWFLSA-N 371.462 2.741 30 40 FFEB CSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(O)cc1)C1=C(CCCC1=O)N2 100888141 UXGLDTYBESPBOO-CYBMUJFWSA-N 355.419 2.762 30 40 FFEB N#Cc1c(N)cc(N)nc1SCC(=O)NCCCSc1ccccc1 23717638 VCYUWXRYJKWKNQ-UHFFFAOYSA-N 373.507 2.508 30 40 FFEB O=C(/C=N/OCC(=O)N1CCCc2ccccc21)Nc1ccc(F)cc1F 55048108 TZXYQIWBAYYFHD-SSDVNMTOSA-N 373.359 2.885 30 40 FFEB C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cnccn1 2264350 ZHWNCRHUDHATGT-UHFFFAOYSA-N 370.413 2.791 30 40 FFEB COc1cc2c(cc1OC)CN([C@H](C)C(=O)Nc1cccc(C#N)c1)CC2 3407538 PXNVTDIQABDMMW-CQSZACIVSA-N 365.433 2.961 30 40 FFEB Cc1cc(C)n(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(=O)c1C#N 409410955 BGYRHMQLLKUBEX-UHFFFAOYSA-N 360.757 2.537 30 40 FFEB N#Cc1cccc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)c1 12939677 IAHCQRXYEJELLK-UHFFFAOYSA-N 368.481 2.611 30 40 FFEB C[C@H](NC(=O)CN1C(=O)CS/C1=C\C(=O)C(C)(C)C)c1ccccc1 13068626 JJYANERICYZYLO-VQIMKDEXSA-N 360.479 2.896 30 40 FFEB Cc1ccccc1CNC(=O)CO/N=C(/N)c1ccc(NC(C)(C)C)cn1 96003774 JPIRLQKFKPKXDY-UHFFFAOYSA-N 369.469 2.554 30 40 FFEB Cc1ccc(S(=O)(=O)N/N=C2\CCCc3ccccc32)cc1[N+](=O)[O-] 96686777 PIIVEZBEQHVBCN-FBMGVBCBSA-N 359.407 2.922 30 40 FFEB CC(C)/N=C(\O)NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 15934595 UGNDHVZQJJVZHZ-UHFFFAOYSA-N 359.411 2.749 30 40 FFEB N#CC1(C(=O)N2CCCC3(CCN(c4cncnc4)CC3)C2)CCCC1 1565556453 IYCRZUBTGSWCQF-UHFFFAOYSA-N 353.470 2.770 30 40 FFEB C[C@@](O)(C#Cc1ccccc1)CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 3168838 BKXXFEZVQGBLIP-RBBKRZOGSA-N 362.429 2.556 30 40 FFEB COc1cc(/C=N\c2ccc3c(c2)n(C)c(=O)n3C)ccc1OC(C)=O 100300747 ZXUCIQYWBHIIME-JAIQZWGSSA-N 353.378 2.562 30 40 FFEB Cc1ccsc1/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCCO2 42338864 YHBRZDSNAQVNIL-UHFFFAOYSA-N 353.421 2.911 30 40 FFEB COc1ccc(CN/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1OC 20196668 DOHBMMYWFXVKAI-LPYMAVHISA-N 373.428 2.803 30 40 FFEB CC(=O)c1ccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 408741506 QBZZGMHLGWRLCX-YODDIOPGSA-N 365.414 2.656 30 40 FFEB CCOc1ccc2c(c1)C=C(/C(O)=N/S(=O)(=O)c1cccnc1)CO2 48533184 UCRGUDDKZSFCJI-UHFFFAOYSA-N 360.391 2.602 30 40 FFEB CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)NC1(C#N)CCCCC1 12914528 SWVXYUFBSIDLAJ-UHFFFAOYSA-N 362.861 2.553 30 40 FFEB C=CCOc1ccc(C(=O)NC[C@H](c2ccco2)N2CCOCC2)cc1 15831833 NWPUEGHNDSABNT-GOSISDBHSA-N 356.422 2.648 30 40 FFEB C=C(Cl)CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 75142377 OIFGMIVFMCBHPG-UHFFFAOYSA-N 356.875 2.652 30 40 FFEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 32634155 VQSFUMFYYBDXIG-QJGXAYKQSA-N 370.471 2.617 30 40 FFEB CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(C#N)cc3)ccc21 13006709 HAXWMPUAFFHFGG-UHFFFAOYSA-N 355.419 2.523 30 40 FFEB Oc1ccccc1/C=N\CCOCCOCC/N=C/c1ccccc1O 18282842 DVPLVNRQOUXQGN-KBNZVFGVSA-N 356.422 2.669 30 40 FFEB COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)Nc1cccc(C#N)c1 5700990 POWLEABXVJQFFT-GFCCVEGCSA-N 352.394 2.964 30 40 FFEB COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C[C@@H](C)O)cc1 5800272 HTPPNAZXDXYEOT-FZKQIMNGSA-N 367.401 2.654 30 40 FFEB O=C1C(=O)N(c2ncccn2)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1ccco1 102437237 PQLNHAJYFQSPQK-IDTYTIONSA-N 365.320 2.835 30 40 FFEB COc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 1917343 HLFDIQCBSKNXNS-UHFFFAOYSA-N 356.403 2.913 30 40 FFEB O=S(=O)(N/N=C/c1ccccc1F)c1ccc(Br)cc1 3472186 VQJMSSCESOJBIU-CXUHLZMHSA-N 357.204 2.901 30 40 FFEB CCCc1nn2c(N)c(C#N)nnc2c1-c1ccc(Br)cc1 20636132 RMZBKNYWWAWRKM-UHFFFAOYSA-N 357.215 2.960 30 40 FFEB CCNC(=S)N/N=C/c1ccc(OCc2ccc(C(=O)OC)cc2)cc1 8773161 YZMZDYWTFZWINF-CIAFOILYSA-N 371.462 2.870 30 40 FFEB C[C@H](OC(=O)c1ccccc1CC#N)C(=O)Nc1ccc2c(c1)OCO2 22872272 HWGISPPVFZEYKU-LBPRGKRZSA-N 352.346 2.665 30 40 FFEB C=CCc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(OCC)c1OC 409085855 STSSORIMNFVIBP-XNTDXEJSSA-N 360.435 2.929 30 40 FFEB N#CCCn1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c2ccccc21 72117984 CKPSEGOKFKYJBN-ZSOIEALJSA-N 371.443 2.841 30 40 FFEB COc1ccccc1-c1n[nH]c(/N=C(\O)C[C@@H]2NC(=O)c3ccccc32)n1 95477919 MLKOMRDRIRTHOP-AWEZNQCLSA-N 363.377 2.943 30 40 FFEB COc1cc(OC)cc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)c1 3237665 ZIJCYGDMWCKYSK-UHFFFAOYSA-N 368.389 2.807 30 40 FFEB C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 15508932 AIXTYXHSXWXFQY-UHFFFAOYSA-N 352.362 2.681 30 40 FFEB Cn1nc(C2CCN(Cc3ccccc3C#N)CC2)n(-c2ccccc2)c1=O 77100634 ZOYRJNQMAVTIKX-UHFFFAOYSA-N 373.460 2.822 30 40 FFEB Cc1nnc(NCc2ccc(N3CCC(CO)CC3)cc2)c(C#N)c1C 52446689 UAEFPYFLIWEYCF-UHFFFAOYSA-N 351.454 2.786 30 40 FFEB CCOc1ccc(Cl)c(C(=O)OCC(=O)NC2(C#N)CCCCC2)n1 63578381 UBAUOTYMCCJJCX-UHFFFAOYSA-N 365.817 2.633 30 40 FFEB C/C(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)=N\NC(N)=S 13635712 DYBCULMZPQWAIG-KPSZGOFPSA-N 352.769 2.897 30 40 FFEB C=CCn1c(S[C@@H](C)C(=O)OC)nc2sc3c(c2c1=O)CCC3 6111618 WQFJTXNYRILLBF-VIFPVBQESA-N 350.465 2.786 30 40 FFEB Cc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(N(C)C)cc3)C2=O)cc1 408537833 XOFLYVPCAFBQSM-QGZVFWFLSA-N 364.405 2.663 30 40 FFEB C[C@@H]1C[C@H]2O[C@H]2/C=C\C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 33838895 WYZWZEOGROVVHK-NJLYAAENSA-N 364.781 2.692 30 40 FFEB in-vitro CC(C)Oc1cccc(C(=O)N2CCN(c3ccc(N)cc3C#N)CC2)c1 70462131 RNGHTSCBKXEKDW-UHFFFAOYSA-N 364.449 2.890 30 40 FFEB N#Cc1cccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 5120610 WHHPRJYTWAEMHH-UHFFFAOYSA-N 361.854 2.723 30 40 FFEB C=CCOc1ccc(C(=O)N2CCC(C(=O)c3ccnn3C)CC2)cc1 12156161 OKEPIRZYFMYHRM-UHFFFAOYSA-N 353.422 2.720 30 40 FFEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1ncnc(N)c1[N+](=O)[O-] 5447001 OJCDGEVSJHYTKJ-IFRROFPPSA-N 372.776 2.561 30 40 FFEB Cc1nnc(/N=C2/S/C(=C\c3ccc(C(=O)O)cc3)C(=O)N2C)s1 5552548 RLDGPEBEYRHSLZ-ADDYMJOSSA-N 360.420 2.779 30 40 FFEB CC(C)(C)OC(=O)N1CC2(CC=C(B3OC(C)(C)C(C)(C)O3)CO2)C1 1772716462 UATZSSHKNNXZKD-UHFFFAOYSA-N 351.252 2.954 30 40 FFEB Cc1ccc(C(=O)NC2CCN(c3snc(Cl)c3C#N)CC2)o1 50954034 HRBMOAJACGQDPW-UHFFFAOYSA-N 350.831 2.968 30 40 FFEB CCOc1ccc2nc(SCC(=O)NC[C@H]3CCCO3)c(C#N)cc2c1 1354868 TVQHZGJBXYHIHR-MRXNPFEDSA-N 371.462 2.892 30 40 FFEB N#CCCn1cnc2c(Br)cc(Br)cc2c1=O 8005412 FIRGPPOYQJUPHX-UHFFFAOYSA-N 357.005 2.835 30 40 FFEB COCCOc1cc(NC(=O)[C@H](C)Oc2ccccc2C#N)ccc1OC 24940127 OKWSXDMPZZJICQ-AWEZNQCLSA-N 370.405 2.998 30 40 FFEB CCOC(=O)C(CC#CCN1CCCC[C@@H]1c1cccnc1)C(=O)OCC 61999398 BJQPESVQPROFRD-LJQANCHMSA-N 372.465 2.745 30 40 FFEB biogenic O=S1(=O)CC[C@@H](/N=C/c2cn(-c3ccccc3)nc2-c2ccco2)C1 27061514 IOMXGAANORUWKZ-SKCQWOFPSA-N 355.419 2.738 30 40 FFEB C=CCNC(=O)[C@H](C)OC(=O)/C=C/c1ccc(OC(F)F)c(OC)c1 21230130 YBSSZQXTCKUFGV-IOCXFXADSA-N 355.337 2.544 30 40 FFEB N#CCC(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 12783448 ORDVWLDJLDKNRZ-UHFFFAOYSA-N 362.389 2.683 30 40 FFEB C[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1ccc2c(c1)OCCO2 8225964 VKLBNWIYVWJFNU-CQSZACIVSA-N 351.406 2.788 30 40 FFEB O=C(Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1)c1ccccn1 13039465 YXCFSCYSWJEPLQ-UHFFFAOYSA-N 372.450 2.585 30 40 FFEB C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)NC1CCCCC1 14160837 ZQLJAAFTZIOXPO-NRFANRHFSA-N 367.449 2.600 30 40 FFEB Cc1nc(SCC(=O)NCc2cn3ccccc3n2)c(C#N)c(C)c1C 8710018 HWFBQCHDMOBHHP-UHFFFAOYSA-N 365.462 2.935 30 40 FFEB Cc1cc2nc(N=C3NCN(Cc4cccnc4)CN3)nc(C)c2cc1C 19323472 ZXFVMVBFFMHLDY-UHFFFAOYSA-N 361.453 2.548 30 40 FFEB C#C[C@H](OC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)C1CC1 89261387 OGVAEUJWKMPILV-WFASDCNBSA-N 362.223 2.757 30 40 FFEB COc1ccc(C)cc1N1C[C@H](/C(O)=N/[C@H](C)C2=CCN(C)CC2)CC1=O 329261267 AVULQLCBFNAUGW-NVXWUHKLSA-N 371.481 2.963 30 40 FFEB C[C@@H]1C[C@@H]2O[C@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 253952046 WYZWZEOGROVVHK-NKZPBKNFSA-N 364.781 2.692 30 40 FFEB biogenic,in-vitro O=C(/C(=C\N1CCCCC1)c1nnnn1-c1ccccc1)C(F)(F)F 16523744 XTOJDIJXJOUFRO-ACCUITESSA-N 351.332 2.621 30 40 FFEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccn1 19938508 LRUNKFUXPZSYRH-SFHVURJKSA-N 365.433 2.612 30 40 FFEB C=CCn1c(SCC(=O)N(CC#N)c2ccccc2)nnc1C1CC1 21326025 RASMOFXSURRFFS-UHFFFAOYSA-N 353.451 2.990 30 40 FFEB C[C@@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1C#N 7705902 PSFDXOHJFLWYSE-GFCCVEGCSA-N 352.346 2.513 30 40 FFEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccncc2)/C1=C(\O)c1ccco1 102860014 JDQPXZUXNJMDIS-HVESIFNPSA-N 361.357 2.692 30 40 FFEB COc1cccc([C@H]2O[C@]3(C)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@H]3C)c1OC 102707038 HMNONSNRPYFUCY-FNMLVEFPSA-N 366.377 2.678 30 40 FFEB C=CCN1CC[C@@]2(CN(Cc3ccccn3)C[C@@H]2c2nccs2)C1=O 306141271 VQJLCIKYEMYRRD-APWZRJJASA-N 354.479 2.542 30 40 FFEB Fc1ccc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 4477993 OIYHUQMXJLCRBJ-DEDYPNTBSA-N 355.421 2.657 30 40 FFEB O=C1Nc2c(cccc2[N+](=O)[O-])N/C1=C/C(=O)c1cccc([N+](=O)[O-])c1 13212173 PFTBCKABHXBIRE-XYOKQWHBSA-N 354.278 2.634 30 40 FFEB N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(=O)C4(F)CCC4)C3)C2)c1 1614948372 UMUQHROMBLBMAZ-FQEVSTJZSA-N 371.456 2.896 30 40 FFEB COc1ccc(S(=O)(=O)CC(=O)Nc2sc(C)c(C)c2C#N)cc1 10219415 JFARQXIWDFJLGZ-UHFFFAOYSA-N 364.448 2.658 30 40 FFEB Cc1ccc(-c2nc(Cn3c(=O)c(C#N)cn(C4CC4)c3=O)cs2)cc1 45091753 WDKKQUZKOLFENK-UHFFFAOYSA-N 364.430 2.697 30 40 FFEB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1CCC(=O)Nc1sccc1C#N 45097013 VXTBVLSOOYOISZ-WFASDCNBSA-N 368.462 2.816 30 40 FFEB N#CCCN(C(=O)CO/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 3301145 ZSIUQPIRFZWMAD-DEDYPNTBSA-N 352.350 2.892 30 40 FFEB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)COc1ccccc1C#N 3414179 IZGQYJUUVJBBPQ-UHFFFAOYSA-N 357.797 2.688 30 40 FFEB COc1cc(/C=C2/C(=O)c3ccccc3S(=O)(=O)N2C)cc(OC)c1 13656374 ICCXWIWHBOGSRV-YBEGLDIGSA-N 359.403 2.562 30 40 FFEB COc1cc(C#N)ccc1OCC(=O)NC(=O)Nc1ccc(C)cc1C 5629608 SMNHMEJKZAXNHJ-UHFFFAOYSA-N 353.378 2.911 30 40 FFEB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2cccc(C#N)c2)cc1 575444455 CETZBRGMWXEGFN-UHFFFAOYSA-N 374.400 2.738 30 40 FFEB Cc1noc(C)c1CN1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 96238885 XJOOMTINMLBOHE-FQEVSTJZSA-N 350.422 2.792 30 40 FFEB N#Cc1cccc(N2C[C@]3(CCN(C(=O)C4CC(F)(F)C4)C3)CC2=O)c1 1614936359 KMRHOVOJRFDQSF-GOSISDBHSA-N 359.376 2.559 30 40 FFEB CN1CCN([C@@H](CNC(=O)Nc2ccc(C#N)cc2)c2cccs2)CC1 32779434 JHGADFFXSSXIGW-KRWDZBQOSA-N 369.494 2.730 30 40 FFEB C#CCOc1ccc([C@@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)cc1OC 6678822 JHTIURZMAFDTSM-ZBEGNZNMSA-N 357.435 2.902 30 40 FFEB N#Cc1ccccc1NC(=O)COC(=O)CSc1nc2ccccc2o1 1420845 ODNJTBRAMBJZCM-UHFFFAOYSA-N 367.386 2.973 30 40 FFEB N#Cc1ccc(CN2CCCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 25767623 FFCPZKOLJDNDEN-UHFFFAOYSA-N 369.490 2.596 30 40 FFEB C=CCN1CC[C@]2(CN(Cc3nccs3)C[C@H]2c2nccs2)C1=O 306142174 WSAFXIUIIGREFT-SUMWQHHRSA-N 360.508 2.604 30 40 FFEB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)N[C@](C)(C#N)C(C)C 7477631 AJZOAOKLISKNQP-HXUWFJFHSA-N 368.437 2.700 30 40 FFEB N#Cc1c(NC(=O)CSc2nnnn2C2CCCC2)sc2c1CCC2 8074331 CUYHYYJCROBHIC-UHFFFAOYSA-N 374.495 2.941 30 40 FFEB CNC(=O)C1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc23)CC1 79599561 DTQDENGGRPXWAM-UHFFFAOYSA-N 360.364 2.670 30 40 FFEB Cc1cc(C)n(CC(=O)Nc2sc3c(c2C#N)CCCC3)c(=O)c1C#N 409412553 XIZQTPZREBMUFR-UHFFFAOYSA-N 366.446 2.788 30 40 FFEB CCCc1nc2ccccc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1O 36107556 YXPZMPGKJHIOIO-YBFXNURJSA-N 352.350 2.845 30 40 FFEB O=C(c1ccc(-n2ccnc2)c(C#Cc2ccccc2)c1)N1CCC(O)CC1 12221871 HWLAOORRFAQNMP-UHFFFAOYSA-N 371.440 2.869 30 40 FFEB CC(C)(C)C(=O)Nc1ccc(N2CCN(c3ccc(C#N)nc3)CC2)cn1 2298053053 MKBHMKXRLGLDSB-UHFFFAOYSA-N 364.453 2.659 30 40 FFEB O=C1C=C(COc2ccc3c4c(c(=O)oc3c2)CCC4)N=C2SC=N[C@@H]12 101407571 RRJRBDJXJXXCEI-KRWDZBQOSA-N 366.398 2.669 30 40 FFEB CCS[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(CC(=O)O)C(=O)N1C 62716285 RQYUROFHPMZMRM-MRXNPFEDSA-N 353.827 2.845 30 40 FFEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccn(-c3ccccc3)n2)C1=O 58293797 VOGITFGLBPFNMS-NRFANRHFSA-N 371.400 2.711 30 40 FFEB C=CCNc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] 15207318 LRNVWMYJJHNVHM-BETUJISGSA-N 353.444 2.859 30 40 FFEB C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C(=O)O)ccc3C)cc2C1=O 9550355 IPEXDHWQOMVUIM-UHFFFAOYSA-N 364.357 2.728 30 40 FFEB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1c(C#N)ccc(F)c1F 95944154 AEVGWRHLRYSRKE-UHFFFAOYSA-N 353.306 2.854 30 40 FFEB C=CCOc1ccc(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 408709126 OTQFFSHKQQFZPE-UHFFFAOYSA-N 359.470 2.615 30 40 FFEB Cn1c(=O)n(C)c2cc([C@H]3CC(=O)OC4=C3C(=O)CC(C)(C)C4)ccc21 524733307 GMHNYGCIDUHZIP-GFCCVEGCSA-N 354.406 2.551 30 40 FFEB C=CCn1c(C)cc(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1C 3598523 BCSCLFPVCGXGIH-UHFFFAOYSA-N 367.361 2.678 30 40 FFEB C=CCn1c(CNC(=O)c2ccccc2Br)n[nH]c1=S 4739055 SPBGJOYZCKSTBZ-UHFFFAOYSA-N 353.245 2.819 30 40 FFEB C[C@@H]1CCc2c(sc(NC(=O)COc3ccccc3C#N)c2C(N)=O)C1 2653763 NFBKYDYPMIGYLQ-LLVKDONJSA-N 369.446 2.861 30 40 FFEB CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 847045 XAKNGHUXWZKUJR-INIZCTEOSA-N 354.318 2.789 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1/N=C/c1ccc(N2CCCCC2)o1)C31CC1 100496119 WIMVPYBEPMZMEC-PCDPMHOXSA-N 365.433 2.801 30 40 FFEB CCn1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SC)nn32)cn1 17074003 BVLYGLBPKGEADG-CQSZACIVSA-N 358.471 2.875 30 40 FFEB Cc1nn(C)c(C)c1/C=C1\C(=O)c2ccccc2S(=O)(=O)N1C(C)C 13553064 YHXYHAPVSAIALN-MHWRWJLKSA-N 359.451 2.673 30 40 FFEB CSc1ccc(/C=N/NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 5163583 YSLAPZIQUADOFL-MHWRWJLKSA-N 365.436 2.938 30 40 FFEB N#Cc1ccccc1N1CCCN(C(=O)c2c(O)cc(F)cc2F)CC1 66045982 KPRHDMRXRKVYBY-UHFFFAOYSA-N 357.360 2.895 30 40 FFEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OCC)cc1)CC(=O)N2 4944382 WESMSCTZOZALAU-ZDUSSCGKSA-N 357.435 2.921 30 40 FFEB CCOc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 408537888 XYQARANWGGGZDB-QGZVFWFLSA-N 365.389 2.995 30 40 FFEB CC(C)n1cc([C@@H]2OCC[C@H]2NC(=O)NCc2ccc(C#N)c(F)c2)cn1 596625720 VQYADEPPBKMDNE-MSOLQXFVSA-N 371.416 2.804 30 40 FFEB Nc1nonc1/N=C/c1cc(Br)cc(Br)c1O 5425671 GUFQCQWUKWLDBD-QLKAYGNNSA-N 361.981 2.633 30 40 FFEB COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3sccc3C#N)CC2=O)c1 32796457 VMYCBMRUYLYYSP-LBPRGKRZSA-N 371.418 2.629 30 40 FFEB Cc1sc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)c(C#N)c1C 10041161 KNCATUWBOYDATE-UHFFFAOYSA-N 358.375 2.761 30 40 FFEB COc1ccc([C@H]2NC(=O)C(=O)/C2=C(/O)c2ccc(C)cc2)cc1OC 102609824 IEEXNNFNJUQQOB-GROYHEBESA-N 353.374 2.722 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C\c1ccc(Br)cc1 100200563 URPZHFWDRVPDSQ-ZZGPOESUSA-N 371.234 2.836 30 40 FFEB Cc1c(OCC(N)=O)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 28182624 CTHUPVHEIBDBCT-NVMNQCDNSA-N 362.385 2.967 30 40 FFEB O=C1C(Nc2ccc(F)cc2)=C(N2CCOCC2)C(=O)c2ccccc21 4093793 MJUQJYRKXWHYHO-UHFFFAOYSA-N 352.365 2.861 30 40 FFEB CC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 6347860 XSHNEQCMLCBBQD-LBPRGKRZSA-N 351.362 2.701 30 40 FFEB CC(C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(O)nc2ccccc2c1=O 409353152 HLVAMITWQMQDCL-UHFFFAOYSA-N 368.349 2.680 30 40 FFEB C=CCNC(=S)Nc1nc(C)cc(N2CCN(c3ccccc3)CC2)n1 225925803 XSAYKWXEFHHFIA-UHFFFAOYSA-N 368.510 2.584 30 40 FFEB C[C@]1(C#N)CCN(c2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)C1 596532164 ZPTZYXSZTFZICA-QGZVFWFLSA-N 354.801 2.502 30 40 FFEB COc1ccc2c(c1)CCC[C@]21NC(=O)N(Cc2ccc(C#N)cc2)C1=O 12780247 BKZDPZWVNJXSGZ-NRFANRHFSA-N 361.401 2.850 30 40 FFEB CN(CCOc1ccc(Cl)cc1)S(=O)(=O)c1cccc(C#N)c1 7249090 NESRZCLCDNTJII-UHFFFAOYSA-N 350.827 2.911 30 40 FFEB O=[N+]([O-])C/C=N\c1cnc2cc3ncc(/N=C/C[N+](=O)[O-])cc3cc2c1 100366077 IXKOTCXWVOOGKF-OQBTUWCISA-N 352.310 2.741 30 40 FFEB C=CCN(Cc1cccs1)C(=O)Cn1c(C)nc2ccccc2c1=O 57711771 FIOFGLOAMYYYJV-UHFFFAOYSA-N 353.447 2.981 30 40 FFEB CCOc1ccccc1N1CCN(CC(=O)Nc2sccc2C#N)CC1 35889553 BAINFRLTZZHAHU-UHFFFAOYSA-N 370.478 2.779 30 40 FFEB C=CCNc1nc(C(=O)O[C@H](C)C(=O)Nc2ccc(C#N)cc2)cs1 10134756 IREJAGLGZPUVHE-LLVKDONJSA-N 356.407 2.797 30 40 FFEB COc1ccc(-c2nc(SCCn3cccn3)nc(O)c2C#N)cc1 58167486 KCLURHOLCNTOAR-UHFFFAOYSA-N 353.407 2.718 30 40 FFEB COc1ccc(NC(=O)/C=C2/S/C(=N/C3CC3)N(C3CC3)C2=O)cc1 4704086 NGFMQDDBHSJAKK-ZYVCTYRMSA-N 357.435 2.774 30 40 FFEB COc1ccccc1OCC#CCNC(=O)c1ccc2nsnc2c1 90610403 KDPBLYCJOXQNSD-UHFFFAOYSA-N 353.403 2.512 30 40 FFEB Cc1nc(C/C(N)=N\OCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cs1 40155646 NDVLRDNXQLFBFS-ZDUSSCGKSA-N 360.483 2.777 30 40 FFEB C=CCNC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 24449048 HFKOSYMPICXPLC-UHFFFAOYSA-N 353.378 2.808 30 40 FFEB C=CCN(CC=C)c1nc2ccccc2nc1[C@@H](C#N)C(=O)OCCOC 2300741 ACVMJYMVYNOSNH-OAHLLOKOSA-N 366.421 2.605 30 40 FFEB Cc1c(NC(=O)CCc2ccccc2C#N)c(=O)n(-c2ccccc2)n1C 14104064 LHLUUZLTQKACIT-UHFFFAOYSA-N 360.417 2.927 30 40 FFEB CN(C)C(=O)COc1ccc(C(=O)/C=C/c2ccc3c(c2)CCO3)cc1 54802440 OELMDYIYOOOSOA-YCRREMRBSA-N 351.402 2.985 30 40 FFEB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@@H]1/C=N/c1cccnc1 408741040 JNTFFYPUBLOQSI-VDLQQMNMSA-N 358.810 2.501 30 40 FFEB CCO/C(O)=N/c1nnc(SCC(=O)Nc2cccc(F)c2)s1 32891725 FTHPXPWWFUEYCL-UHFFFAOYSA-N 356.404 2.990 30 40 FFEB C/C(C[C@H](C[N+](=O)[O-])c1ccccc1)=N\c1ccc(S(N)(=O)=O)cc1 5612744 OCLYZSRTSIADOB-DQPIFXJKSA-N 361.423 2.877 30 40 FFEB CCOc1ccc(CNC(=S)N/N=C\c2ccc([N+](=O)[O-])cc2)cc1 31969684 WXSHPHXNOQKEAH-UNOMPAQXSA-N 358.423 2.992 30 40 FFEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cc(OC)cc(OC)c1 8254581 NYBRFTQPIDCOSA-OFQRWUPVSA-N 361.511 2.887 30 40 FFEB biogenic,in-vitro COCc1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)ccc1OC 647788 VPKACTHZECXLON-IBGZPJMESA-N 371.433 2.983 30 40 FFEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H]2CCCN(c3ncccn3)C2)cc1C 48474260 NUCQWBZWUCVGHV-OAHLLOKOSA-N 374.466 2.655 30 40 FFEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)c(Cl)c1 5486498 FOXJHMGGKLLKQQ-OJVXUPTESA-N 372.899 2.660 30 40 FFEB C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccn1 16755533 FRBCVBUXDJWZAA-UHFFFAOYSA-N 368.418 2.912 30 40 FFEB CCN(CC)C(=O)c1ccc(NC(=O)CO/N=C(/N)c2cccs2)cc1 72001827 OAVMWWFKLYCPHF-UHFFFAOYSA-N 374.466 2.506 30 40 FFEB S=C(N/N=C1\CCCOc2ccc(Br)cc21)NC1CC1 55470025 OAQUXPVGUZQYDE-SFQUDFHCSA-N 354.273 2.952 30 40 FFEB CC(=O)Nc1ccc(C#CC2(NC(=O)c3cc(C)no3)CCCCC2)cn1 12144132 HNYVGEGJGOWGAJ-UHFFFAOYSA-N 366.421 2.821 30 40 FFEB CN(Cc1ccc(C#N)cc1)C(=O)CN1C(=O)CSc2ccccc21 32616206 OXRLZMBKEGTNBQ-UHFFFAOYSA-N 351.431 2.656 30 40 FFEB C=CCN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(OC)cc1 32957800 FZIBYMPWIAQGAL-UHFFFAOYSA-N 362.407 2.980 30 40 FFEB COc1ccccc1-c1n[nH]c(/N=C(\O)[C@H](C)NC(=O)c2cccs2)n1 52778885 XTAHSDVDQGYWMC-JTQLQIEISA-N 371.422 2.948 30 40 FFEB N#Cc1ccc(OCC(=O)OCc2ccc(C(=O)N3CCCC3)cc2)cc1 24482071 CRCMSSGQTDHXAZ-UHFFFAOYSA-N 364.401 2.916 30 40 FFEB CC(C)CCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 21203501 NZMKMEAWPYGBSL-HNNXBMFYSA-N 365.499 2.823 30 40 FFEB COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc2c(c1)NC(=O)CO2 7333662 SPDSCICKYSQNRE-GQCTYLIASA-N 369.373 2.939 30 40 FFEB CN(CC#CCNS(=O)(=O)/C=C/c1ccccc1)Cc1ccccc1 85470671 LDKYKYCHCYJNJU-SAPNQHFASA-N 354.475 2.712 30 40 FFEB C=CC(=O)Nc1ccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1653212347 CXCXULYOGCIACY-UHFFFAOYSA-N 352.419 2.525 30 40 FFEB CCC(=O)Nc1ccc(/N=C/c2cccc(OC)c2OCC(N)=O)cc1 681026 OSYSHHSUUYPEEE-SRZZPIQSSA-N 355.394 2.658 30 40 FFEB Cc1ccc(C)c(NC(=O)/C(=N\NC(N)=S)[C@H](C#N)c2ccccc2)c1 17191870 TWLKLEPGFUUZIZ-JRCVOMKHSA-N 365.462 2.739 30 40 FFEB COc1cc(C#N)ccc1OCC(=O)N(CCC#N)c1ccccc1OC 8921679 NMPXVUHDLXKUPG-UHFFFAOYSA-N 365.389 2.901 30 40 FFEB C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(N)=O 3490990 OUUXXGFXNBCXBF-SNVBAGLBSA-N 352.847 2.662 30 40 FFEB COC(=O)C1=C(C(=O)c2cccs2)[C@H](c2ccccc2)NC(=O)N1C 8718070 OBSXNYGZZRPIBI-AWEZNQCLSA-N 356.403 2.754 30 40 FFEB COc1ccc(Br)cc1CSc1ncc(C#N)c(N)n1 7695605 LUSCSNGEBHQJET-UHFFFAOYSA-N 351.229 2.994 30 40 FFEB Cc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2ccc(N(C)C)cc2)C1=O 408532624 IPPWEWASVXWDCP-MRXNPFEDSA-N 364.405 2.663 30 40 FFEB CSc1nnc(C)n1N/C(S)=N/C(=O)c1ccc(OC(C)C)cc1 33652867 QAGROTMDRBTJCY-UHFFFAOYSA-N 365.484 2.765 30 40 FFEB N#C[C@H]1CCC[C@H]1Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 72312151 UDSGYNJITVWXFM-PSASIEDQSA-N 363.317 2.992 30 40 FFEB CCOC[C@@H]1CN(Cc2ccc(OC)c(C#N)c2)C[C@H]1c1cnn(C)c1 585655664 WZNRHDITKUMKFA-OALUTQOASA-N 354.454 2.552 30 40 FFEB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)C#N)cc1 252516211 QNSADAPKWAPAFK-IKGGRYGDSA-N 362.838 2.509 30 40 FFEB C/C(=N\Nc1nc(C)cc(O)n1)c1ccc(I)cc1 13303716 NYTLBIYTJBORSP-RQZCQDPDSA-N 368.178 2.931 30 40 FFEB C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@H](O)C(=O)O 31538963 NCZRCNAAHNGILW-CPZQJQDXSA-N 362.466 2.551 30 40 FFEB in-vitro C[C@@](C#N)(NC(=O)CNc1cc(Cl)ccc1C(=O)N1CCCC1)C1CC1 40135336 VBLKAJCSTIDKIL-IBGZPJMESA-N 374.872 2.796 30 40 FFEB C#CCNC(=O)[C@H](C)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 56207119 NAYTYNLIIXJKQZ-CABCVRRESA-N 367.424 2.867 30 40 FFEB Cc1nc(/C=N/OCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c2ccccn12 107482246 IRSGBUZALIRGAM-HVGXLACTSA-N 354.454 2.934 30 40 FFEB C[C@@H](C(=O)Nc1cc(Cl)ccc1C#N)N1C(=O)c2ccccc2C1=O 3254289 YTHBNAULPHZUQS-JTQLQIEISA-N 353.765 2.835 30 40 FFEB N#Cc1cccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2F)c1 68362198 BDERKEVOFBHDSF-INIZCTEOSA-N 355.394 2.851 30 40 FFEB N#Cc1ccccc1Cn1nc2n(c1=O)C(=O)N(c1cccc(Cl)c1)C2 1547201068 UCWXAUWVYQWPTM-UHFFFAOYSA-N 365.780 2.606 30 40 FFEB Cc1cc(N2CCCC2)c(F)cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409407668 NLXZBMIMJDXBMX-KODHJQJWSA-N 367.424 2.875 30 40 FFEB C=CCN(CCCC(=O)N1CCCC1)S(=O)(=O)c1ccc(C)cc1 144990582 NVBNJNQNYTYHOL-UHFFFAOYSA-N 350.484 2.574 30 40 FFEB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(Br)cc1 239229088 URPZHFWDRVPDSQ-YZXKGSGOSA-N 371.234 2.836 30 40 FFEB CC[C@H](C)NC(=O)CSc1nc(-c2ccc(C)cc2)c(C#N)c(=O)[nH]1 5238292 DDGPCDLAGPVMBW-LBPRGKRZSA-N 356.451 2.624 30 40 FFEB CCc1ccc(/C=C2\SC(N3CCN(CCC#N)CC3)=NC2=O)cc1 20477499 YWEXVWZZQRDSTL-VKAVYKQESA-N 354.479 2.751 30 40 FFEB C/N=C(\c1ccccc1)N1CCN(CCOc2ccc(OC)cc2)CC1 105035089 CNWVPKGPKIVLBC-QURGRASLSA-N 353.466 2.768 30 40 FFEB COC(=O)[C@]1(C)CCC[C@]2(C)C3=CC(=O)[C@@]4(C(C)C)O[C@@H]4[C@]3(O)CC[C@H]21 104203023 ABKTWBMMVOBXFC-DRSBFNANSA-N 362.466 2.800 30 40 FFEB COc1cccc(N2CCN([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)c1 57406518 NFFSWWOPHMVIDI-INIZCTEOSA-N 364.449 2.716 30 40 FFEB CCn1nc([N+](=O)[O-])c([C@@H](C#N)c2nc3ccccc3o2)c(Cl)c1=O 3276217 ILKNRVNWRSSEIU-MRVPVSSYSA-N 359.729 2.621 30 40 FFEB COc1ccc(/C(O)=N/S(=O)(=O)c2ccc3c(c2)CCC3)c(OC)c1 48612633 HCNKPRXOXRVXFW-UHFFFAOYSA-N 361.419 2.886 30 40 FFEB COc1ccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1 3904076 TZCCEMZKFCBFMZ-UHFFFAOYSA-N 364.401 2.730 30 40 FFEB CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCOC)c1 4541131 CAVQSGUZWULMDU-QGZVFWFLSA-N 371.389 2.903 30 40 FFEB CCOc1ccc(N=C[C@@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408528036 AQCAAOXVZTZHEH-CLROSIBMSA-N 369.421 2.671 30 40 FFEB N#CCN(C(=O)COC(=O)Cc1ccc(OC(F)F)cc1)c1ccccc1 26120477 ZDANYYLPTSTYIO-UHFFFAOYSA-N 374.343 2.930 30 40 FFEB O=C1C=CC(=NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)S3)C=C1 5610812 HYHBGAVXEMKUJJ-UHFFFAOYSA-N 355.396 2.911 30 40 FFEB C[C@@H]1CCCC[C@@H]1OCCNC(=O)C1CCN(c2ccc(C#N)cn2)CC1 47188817 ZSHAFCVXZVZQPL-APWZRJJASA-N 370.497 2.881 30 40 FFEB O=c1[nH]ncc(N/N=C2/CCOc3c(Br)cccc32)c1Cl 103793555 YHTLNAMWHUUDHJ-MFOYZWKCSA-N 369.606 2.785 30 40 FFEB CCOC(=O)c1ccccc1/N=C1\NC(=O)/C(=C/c2ccc(OC)cc2)N1 5408495 ZEMZGTIVYSGTEL-ATVHPVEESA-N 365.389 2.620 30 40 FFEB C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H]([C@H]1CC=CCC1)[C@@H](C#N)C(=O)N2 67320914 GXNCZYQSDDZJRI-BARDWOONSA-N 367.453 2.680 30 40 FFEB N#Cc1cc2c([nH]c1=O)CCN(C(=O)c1cccc(Oc3ccccn3)c1)C2 225683495 GUFFQLVKTOCVBH-UHFFFAOYSA-N 372.384 2.632 30 40 FFEB CCOC(=O)[C@]1(C#N)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 242548248 LFFVDKQMSSURFX-ZHALLVOQSA-N 373.405 2.838 30 40 FFEB CCOC(=O)[C@]1(C#N)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 252514522 CTHVNZYEIIDUDK-YQVWRLOYSA-N 355.415 2.699 30 40 FFEB COc1cc(/C=N\N=c2\sc3ccccc3n2C)ccc1OCCO 17142540 JPUYDBAJMCNZRK-JLKBWNLUSA-N 357.435 2.554 30 40 FFEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccccc2)cc1 15920054 JKHSUNXTCWHBRB-SFHVURJKSA-N 367.401 2.656 30 40 FFEB COc1cccc(N2CCN([C@H](C)C(=O)Nc3ccc(C#N)cc3)CC2)c1 57693014 VWCMQEDAQIDBOH-MRXNPFEDSA-N 364.449 2.716 30 40 FFEB C#CCNC(=O)CSc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 7210532 NETHNAQYMHRPAF-UHFFFAOYSA-N 373.434 2.632 30 40 FFEB C=CCNC(=O)[C@H](C)Sc1nnc2cc(C)c3ccc(OC)cc3n12 16865517 SZPUWUQJMZGPCM-LBPRGKRZSA-N 356.451 2.982 30 40 FFEB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1cc([N+](=O)[O-])ccc1Cl 1529454206 GNGLISLAPJLWTP-RPXCZKBTSA-N 371.780 2.635 30 40 FFEB COc1ccc(S(=O)(=O)/N=C2\C=CC(=O)c3ccccc32)cc1[N+](=O)[O-] 5234125 WRHCFZLGRCVNHV-NBVRZTHBSA-N 372.358 2.534 30 40 FFEB C[C@H]1CCC[C@H](C)N1C(=O)CN1C(=O)CS/C1=C/C(=O)C(C)(C)C 169900724 OOWUODDVSJZLQS-OAMQDSFOSA-N 352.500 2.808 30 40 FFEB Cc1ccccc1-c1nnc(SCC(=O)NC2(C#N)CCCC2)n1C 5210093 DFNSMLVXTQCEMY-UHFFFAOYSA-N 355.467 2.835 30 40 FFEB Cc1sc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c(C#N)c1C 8332608 PKRNTRZVIVWVKI-UHFFFAOYSA-N 359.363 2.940 30 40 FFEB COc1cc(/C=N/n2c(C)nc3ccccc3c2=O)cc(OC)c1OC 974466 BBFANTXICUQQKG-RGVLZGJSSA-N 353.378 2.613 30 40 FFEB CCOC(=O)[C@@H]1C(=O)C=C(C)[C@@H](C(=O)OCC)[C@H]1c1ccc(OC)cc1 1087885 AVFICRAHJIFRSB-KZNAEPCWSA-N 360.406 2.666 30 40 FFEB CCCCCCCCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 3097394 NFSRMVXKXJGOCK-UHFFFAOYSA-N 366.483 2.979 30 40 FFEB biogenic Cc1sc(NC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)c(C#N)c1C 48261822 NQKSDFLBOGPRJW-LLVKDONJSA-N 355.419 2.989 30 40 FFEB COc1cc2c(cc1/C=N/n1c(S)nnc1-c1ccccc1)OCO2 409062085 NDTBIGBVYCQNFR-GIJQJNRQSA-N 354.391 2.853 30 40 FFEB COc1ccc(N2CCO[C@@H]2c2cn(Cc3cccc(C#N)c3)nn2)cc1 216767146 HUMFAPRFJSPBGU-HXUWFJFHSA-N 361.405 2.742 30 40 FFEB CCOCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 229883006 DAHJLJDIQUXYSV-FUHIMQAGSA-N 356.527 2.874 30 40 FFEB Cc1csc(CN2C[C@@H]3OC[C@H](CCOc4ccc(C#N)cn4)[C@@H]3C2)n1 247936971 FEKMTNMVKNRQQO-ULQDDVLXSA-N 370.478 2.634 30 40 FFEB COc1ccc(CCC(=O)NCC#CCOc2ccc3c(c2)OCO3)cc1 90730840 ZBMHUGCCVUCWDV-UHFFFAOYSA-N 367.401 2.555 30 40 FFEB N#Cc1cccc(C(=O)N2CC3(C[C@@H](Oc4ncccc4F)CS3)C2)c1 575404057 LWOCQBVCONKFMG-OAHLLOKOSA-N 369.421 2.871 30 40 FFEB N#Cc1cccc(C(=O)NCC(=O)Nc2ccccc2Br)c1 5512458 MYJOLFQFFOLRGD-UHFFFAOYSA-N 358.195 2.689 30 40 FFEB N#Cc1cnc(SCC(=O)Nc2cc(Cl)ccc2Cl)nc1N 899744 NOPCLAADCJJIBU-UHFFFAOYSA-N 354.222 2.968 30 40 FFEB C=CCN1[C@H]2CCCC[C@@H]2NC(=O)[C@H]1CC(=O)Nc1cccc(Cl)c1 102562259 TVERLAUBMYZBFH-YESZJQIVSA-N 361.873 2.966 30 40 FFEB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N1CCN(Cc3cnn(CC)c3)CC1)C2 100730975 RRVTWMHLIZYARK-GHTZIAJQSA-N 356.514 2.930 30 40 FFEB CC(=O)N1c2ccc(S(=O)(=O)Oc3cccc(C#N)c3)cc2C[C@H]1C 58530186 MIMYTWYSZQXQDE-GFCCVEGCSA-N 356.403 2.623 30 40 FFEB COc1cc([C@H]2C3=C(CCCC3=O)Nc3[nH]c(=S)[nH]c(=O)c32)ccc1O 5072695 AJNURQCXMVWGLA-ZDUSSCGKSA-N 371.418 2.711 30 40 FFEB CCn1c(SCc2cccc(C#N)c2)nc2cc(S(N)(=O)=O)ccc21 5069170 LWFDLGFGRZHPCJ-UHFFFAOYSA-N 372.475 2.868 30 40 FFEB N/C(S)=N/C1=CN(c2ccccc2)N=C(c2ccc([N+](=O)[O-])cc2)N=C1 5444427 KNXGNMCNTNPUQT-UHFFFAOYSA-N 366.406 2.933 30 40 FFEB Cc1ccc2c(c1)O[C@H](c1ccc3c(c1)OCCO3)C/C2=N\NC(N)=S 4795587 PAGMUEHODCJALR-YIRPMMGJSA-N 369.446 2.827 30 40 FFEB CCOC(=O)Cn1c(C)c(/C=N/n2c(C)nnc2S)c2ccccc21 408864744 YXHTYXIBNGQZBO-GIJQJNRQSA-N 357.439 2.584 30 40 FFEB C=CCOc1ccc(NC(=O)C(=O)NCc2ccc(OCC)cc2)cc1 408709159 PDMSZERVJYVOEL-UHFFFAOYSA-N 354.406 2.905 30 40 FFEB C=CCOc1ccc([C@@H](c2c(O)n[nH]c2C)c2c(C)nn(C)c2O)cc1 409003119 DOWQZNOVJOFQPN-KRWDZBQOSA-N 354.410 2.916 30 40 FFEB COc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccccc3C)C2=O)cc1 408534665 MMYPJTDVPDZQQZ-OAHLLOKOSA-N 351.362 2.605 30 40 FFEB N#C[C@H](C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccn1 49456394 RKAXZBIPINEOMI-HQHQJUQOSA-N 366.465 2.916 30 40 FFEB Nn1cnnc1N/N=C/c1ccc(-c2ccc(OC(F)(F)F)cc2)o1 4452293 ORQNGEIYZVYRPF-FBCYGCLPSA-N 352.276 2.597 30 40 FFEB CCOC(=O)N1CCc2c(sc(NC(=O)c3cc(C)no3)c2C#N)C1 11693206 VGJAJDHSZDAXCW-UHFFFAOYSA-N 360.395 2.683 30 40 FFEB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)[C@@H]1CC(=O)N(C(C)C)C1 102125983 ZXCPWXBZVXZXEQ-HIFRSBDPSA-N 351.406 2.625 30 40 FFEB CCC(=O)C1=C(c2ccc(OC)cc2)N(C(=O)CC)n2c(C)nnc2S1 4518273 QAERUNZGUMTYKF-UHFFFAOYSA-N 372.450 2.923 30 40 FFEB NC(N)=N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 59399016 JTLWDIUPLXMDFQ-DNTJNYDQSA-N 351.193 2.820 30 40 FFEB Cc1c([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)nn1C 2782496 XOFUZPWNRGSEFK-MRVPVSSYSA-N 359.411 2.947 30 40 FFEB Cc1cc(C(=O)N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)ncc1C#N 600231270 CYLNLHAVOFNZHC-CZUORRHYSA-N 361.323 2.926 30 40 FFEB COc1cc(CCC(=O)/N=C2/NCCS2)ccc1OCC(F)(F)F 58181346 GAMDGHNDBOMUSF-UHFFFAOYSA-N 362.373 2.788 30 40 FFEB C[C@@H](Oc1ccc(C#N)cc1)/C(O)=N/S(=O)(=O)Cc1ccc(F)cc1 45099678 IBKMFIAJKSOGPK-GFCCVEGCSA-N 362.382 2.951 30 40 FFEB COc1cccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)NC2=O)c1 13898258 BJECKBOZNUZFOO-HNNXBMFYSA-N 355.419 2.943 30 40 FFEB O=C(/C=C/c1ccccc1)c1ccc(OCC(=O)N2CCOCC2)cc1 7700846 ZBUMUBVSRFPZFC-IZZDOVSWSA-N 351.402 2.820 30 40 FFEB CN(C)c1cc(C#N)cc(C(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 590097575 YUDPHUQAJSBUDT-JXFKEZNVSA-N 352.482 2.713 30 40 FFEB C=CCN1CCO[C@@H]2CN(C(=O)c3cc(OC)ccc3Cl)CC[C@H]2C1 1565550614 CPKGCQPJGICPQU-KBXCAEBGSA-N 364.873 2.698 30 40 FFEB C=CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 101329432 LUAULMSEBPVYAT-QIIPPGSGSA-N 362.813 2.553 30 40 FFEB CCN/C(O)=N/S(=O)(=O)c1cnccc1Nc1cccc(Cl)c1 987844 YBJOYWAMFILUAI-UHFFFAOYSA-N 354.819 2.691 30 40 FFEB Cn1/c(=N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)sc2ccccc21 12499514 PQYZJGLSNFMEKH-SLVQDVNZSA-N 356.363 2.812 30 40 FFEB O=C(O)C[C@H]1S/C(=N\C(=O)c2ccccc2)N(c2ccccc2)C1=O 16673002 TVVZHFNYVXWMMI-ORIGZDJFSA-N 354.387 2.806 30 40 FFEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@@H]1/C=N/Cc1ccccc1 408538238 ZLDWEVVIUJVFGO-PZUDMAOCSA-N 355.781 2.810 30 40 FFEB N#CC1(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)CCCCC1 5215827 HBADYMHJDOLWTG-UHFFFAOYSA-N 369.446 2.691 30 40 FFEB N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(C(=O)C2CC2)CC1 8744989 UWLXIQYOCWLYDE-UHFFFAOYSA-N 359.429 2.920 30 40 FFEB C=CCn1c(SCC(=O)Nc2nncs2)nnc1-c1ccccc1 4816337 CCUJHHVFYVLWPK-UHFFFAOYSA-N 358.452 2.713 30 40 FFEB C=CCOc1ccc(C(=O)N2CCN(Cc3ccco3)CC2)cc1OC 97527654 RFBKJTCBNUHUGB-UHFFFAOYSA-N 356.422 2.811 30 40 FFEB N#Cc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 408530996 GDGQOYUJODWOBX-OAHLLOKOSA-N 366.764 2.813 30 40 FFEB CCc1ccccc1N=C[C@H]1C(=O)NC(=O)N(c2cccc(OC)c2)C1=O 408536672 SKTUYZFMAUSPLU-INIZCTEOSA-N 365.389 2.859 30 40 FFEB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C#N)cc1 218117316 QNSADAPKWAPAFK-BRWVUGGUSA-N 362.838 2.509 30 40 FFEB N#CCCNC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 5843910 DWADFNQAJVORSO-UHFFFAOYSA-N 370.792 2.758 30 40 FFEB C=CCOc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c4nccnc34)C2)cc1 12365073 KOSMLDQYYNDAMR-OAHLLOKOSA-N 363.421 2.938 30 40 FFEB COc1ccc(OC)c([C@@H]2C(C(C)=O)=C(O)C(=O)N2Cc2ccco2)c1 1097770 MPMCQJAIXAANJV-QGZVFWFLSA-N 357.362 2.781 30 40 FFEB Cc1cc(C(F)(F)F)nn1C/C(N)=N/OC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 105544403 NZAMPRBTRXBOGM-SRVKXCTJSA-N 358.364 2.852 30 40 FFEB NS(=O)(=O)c1ccc(CC/N=C/c2c(O)ccc3ccccc23)cc1 103832834 WAZJWJNJGKXADQ-FYJGNVAPSA-N 354.431 2.854 30 40 FFEB CCN1C(=O)/C(=C/c2ccco2)S/C1=N\S(=O)(=O)c1ccccc1 12438238 VHKGHKVHSSBGKX-SJKKTQPASA-N 362.432 2.961 30 40 FFEB COc1ccccc1/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCCO2 48535683 WQQYMAOYSMVQSU-UHFFFAOYSA-N 363.391 2.550 30 40 FFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(s1)CCCC2 12979013 LPCXWHFATUSTCF-UHFFFAOYSA-N 356.451 2.770 30 40 FFEB CCNC(=S)N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 5591709 OIDFDACHMCQCLZ-RTMICUHXSA-N 370.522 2.920 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)NC[C@@H](CC)CCCC 408708145 HECOKHSARFCZFD-HNNXBMFYSA-N 359.470 2.874 30 40 FFEB CCNC(=S)N/N=C/c1cc(Br)c(OCC)c(OC)c1 980727 MDYFQHZRZIOGGW-LZYBPNLTSA-N 360.277 2.674 30 40 FFEB COc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C)nn32)cc1OC 22608103 BWZFWAVMLSCTEX-MLCYQJTMSA-N 354.410 2.872 30 40 FFEB COc1ccc(OC)c([C@H]2O[C@]3(C)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@H]3C)c1 102682368 AWPUFUSRPAOQJY-FNMLVEFPSA-N 366.377 2.678 30 40 FFEB C=CCn1c(SCC(=O)N2CCC[C@@H](C)C2)nc2ccccc2c1=O 3249132 BZPFDROUUFDLNI-CQSZACIVSA-N 357.479 2.933 30 40 FFEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cccc(Br)c1 3535205 QOLIZBWMNBEODM-HNNXBMFYSA-N 353.216 2.660 30 40 FFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)n1cc(C(=O)c2ccccc2O)cn1 14198512 BVUMOYGCKPYLKS-ZDUSSCGKSA-N 361.357 2.799 30 40 FFEB CCOC[C@]1(C#N)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)CC 218201889 YVECZIITEUXQBV-QLFBSQMISA-N 372.284 2.896 30 40 FFEB N/C(=N\N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)N[N+](=O)[O-] 38198907 IYQJNNFNTLPDGS-UKWGHVSLSA-N 370.800 2.773 30 40 FFEB COC(=O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1F 5445566 JNBUMAHXBOHFGT-QGZVFWFLSA-N 369.348 2.577 30 40 FFEB Cc1cccc(-n2nnnc2SCC(=O)Nc2cccc(C#N)c2)c1C 15511993 GNIBVDVBIPUOCQ-UHFFFAOYSA-N 364.434 2.882 30 40 FFEB Cc1c(C#N)c(NC(=O)CN2CCC(O)CC2)n(-c2cccc(F)c2)c1C 21671786 QZZNKCOTTNJYGV-UHFFFAOYSA-N 370.428 2.500 30 40 FFEB C=CCN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)C(=O)NC1=S 4723864 JXXOEOQIVOLDMS-GXDHUFHOSA-N 356.378 2.898 30 40 FFEB Cc1ccc(N2/C(=N\C(=O)C(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 101305524 YBLXOLFPFRBRAR-HJUNTIBCSA-N 366.508 2.643 30 40 FFEB N#Cc1cccc(CN2CCC(NS(=O)(=O)c3ccccc3)CC2)c1 25046928 MUFHPNHSACNTKX-UHFFFAOYSA-N 355.463 2.501 30 40 FFEB Cn1c(SCC(=O)Nc2cccc(C#N)c2)nc2ccccc2c1=O 28606925 LWFQHGDTNMDCEF-UHFFFAOYSA-N 350.403 2.536 30 40 FFEB C=CCn1c(N)c(C(=O)OC[C@@H]2CCCO2)c2nc3ccccc3nc21 2421443 BENJHPLEHAKOSU-LBPRGKRZSA-N 352.394 2.689 30 40 FFEB N/C(=N\C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nc2ccccc2o1 4550221 JZJSSEXELMZAAB-JXMROGBWSA-N 351.322 2.703 30 40 FFEB COC[C@@H](C)NC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n12 6653402 FIYMNDDPLJFBMH-CYBMUJFWSA-N 368.462 2.911 30 40 FFEB CC1=NN(C(=O)COc2ccc(C#N)cc2)[C@](O)(c2ccc(F)cc2)C1 408563942 SMIXPPXPISAHDL-LJQANCHMSA-N 353.353 2.530 30 40 FFEB CCOCCCNc1nnc(SCC(=O)N[C@](C)(C#N)C(C)C)s1 9501995 HPDZXAFQPDETHX-OAHLLOKOSA-N 371.532 2.523 30 40 FFEB CN(Cc1ccc(F)c(C#N)c1)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C 500412668 WQHBYUUJPYCJKU-OXJNMPFZSA-N 355.461 2.946 30 40 FFEB CCOC(=O)CSc1ccc2c(c1C#N)C(=O)c1ccccc1C2=O 3845260 ZPOUZYARNLVJEU-UHFFFAOYSA-N 351.383 2.989 30 40 FFEB biogenic COCCc1noc(CC2CCN(c3ccc(Cl)c(C#N)n3)CC2)n1 528118855 NCQBMZBJRPFOOZ-UHFFFAOYSA-N 361.833 2.638 30 40 FFEB C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 48548664 PVGOLYPJKZRLTA-UHFFFAOYSA-N 351.472 2.901 30 40 FFEB Cc1cc(C(=O)NCC(C)C)ccc1NCC(=O)NC1(C#N)CCCC1 50957913 UEJNXCXQQBTEAR-UHFFFAOYSA-N 356.470 2.745 30 40 FFEB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2cc(F)ccc2C#N)C1 548337593 GMYKLWIRDDOBSE-SFHVURJKSA-N 358.442 2.700 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)COc1cc(OC)cc(OC)c1 13684035 HXUGCPSSEKANFB-UHFFFAOYSA-N 370.405 2.637 30 40 FFEB COc1cc(/C=N/n2cnnc2)ccc1OCc1cccc([N+](=O)[O-])c1 15018781 FNKREXSYKKMQSK-AWQFTUOYSA-N 353.338 2.656 30 40 FFEB Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(N)[nH]c(=O)c32)s1 17073634 NKXQLIYESIFDJA-CYBMUJFWSA-N 356.451 2.923 30 40 FFEB CCCCOC(=O)c1ccc(NC(=O)CO/N=C(/N)c2ccccc2)cc1 20887402 ANUZLUFYJFBGES-UHFFFAOYSA-N 369.421 2.919 30 40 FFEB COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccnc1 100562971 UTNCWPZYKRNCTH-GOSISDBHSA-N 370.449 2.875 30 40 FFEB CC1(C)Cc2ccccc2C2=C(C(=O)N3CCCCCC3)C(=O)C(=O)N21 2298636 IAKJVKZVEXJAHH-UHFFFAOYSA-N 352.434 2.546 30 40 FFEB Cc1cc(C)c(C#N)c(SCC(=O)NCc2ccc3c(c2)OCO3)n1 2327170 VLXIFTWQMUFGLK-UHFFFAOYSA-N 355.419 2.707 30 40 FFEB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1NS(C)(=O)=O 48356378 BIRAMMZGZPPZKO-ZDUSSCGKSA-N 373.434 2.644 30 40 FFEB Cc1c(C#N)c(NC(=O)CN2CCCC[C@@H]2C)n(C[C@@H]2CCCO2)c1C 8338713 DNIXNUVBBVJQOI-YOEHRIQHSA-N 358.486 2.969 30 40 FFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 12977269 YHYCIALVAREDMP-GJZGRUSLSA-N 361.405 2.784 30 40 FFEB Cc1nc(/C=C/C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cs1 14200625 GJJIFPVIBIXTBA-VOTSOKGWSA-N 352.463 2.681 30 40 FFEB N#Cc1ccccc1NC(=O)CSCc1nc2ccsc2c(=O)[nH]1 9683273 JXKXKRJCVNGEBS-UHFFFAOYSA-N 356.432 2.728 30 40 FFEB CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](C(=O)OC(C)(C)C)c1ccccc1 95418872 KWSRNICDTSNRCR-YLJYHZDGSA-N 359.470 2.713 30 40 FFEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccncc1 409300796 ACISEEWZMQTTNG-UHFFFAOYSA-N 357.211 2.999 30 40 FFEB COc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)ccc1OCC#N 409207732 YMCAEZILYSSPKG-WJDWOHSUSA-N 363.373 2.690 30 40 FFEB CC(C)Cn1c(SC/C(O)=N/c2ncn[nH]2)nc2ccccc2c1=O 33175294 VLFCRYRCLYZGMY-UHFFFAOYSA-N 358.427 2.551 30 40 FFEB N#CCCN(C(=O)COc1cccnc1[N+](=O)[O-])c1cccc(Cl)c1 14675858 XJBLYZSBRJSRTA-UHFFFAOYSA-N 360.757 2.969 30 40 FFEB C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)[C@H](O)C[C@H](O)[C@@]3(C)[C@H]1C2 253476405 IUVZTUKGYOYDHT-VDXPRGBYSA-N 364.482 2.939 30 40 FFEB biogenic,in-vitro N#CCSc1ccccc1C(=O)NC1CCN(C(=O)c2ccoc2)CC1 32754719 NAWPXPQQHBHFDY-UHFFFAOYSA-N 369.446 2.930 30 40 FFEB O=C1C(=O)N(CCO)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 102802804 GRYIUBZNDKUQCA-IBOXJLQUSA-N 357.793 2.754 30 40 FFEB Cc1ccc(NC(=O)/C=N/OCC(=O)N2CCc3ccccc3C2)cc1 5752659 YFJAVAMAJFHXEM-CIAFOILYSA-N 351.406 2.521 30 40 FFEB CN(CCCc1n[nH]c(N)c1C#N)c1ncnc2sc3c(c12)CCCC3 15113665 NODWGYCTNAZCER-UHFFFAOYSA-N 367.482 2.816 30 40 FFEB CC[C@H](C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1 32506873 DARCDLGFGWROTN-ZHFIRJDFSA-N 366.508 2.643 30 40 FFEB N#CCCNC(=O)c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12 96037957 HWWFEGBNEOOGHO-UHFFFAOYSA-N 370.416 2.890 30 40 FFEB CN(Cc1cc(F)ccc1C#N)C[C@@H]1CCCN(C)[C@H]1c1cncn1C 583620195 UICUCWMZDKJHBZ-OXJNMPFZSA-N 355.461 2.946 30 40 FFEB C=CCn1c2nc3ccccc3nc2c2c(=O)n(C[C@@H]3CCCO3)cnc21 5234791 FVYCYPFVJQLYAO-ZDUSSCGKSA-N 361.405 2.659 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(O)cc1 102799362 JBOIZCPXOWOVFY-SELCWUDQSA-N 367.401 2.769 30 40 FFEB N#Cc1ccccc1OCC(=O)NC[C@H](c1cccs1)N1CCCC1 32763245 HJORAHFQQBLWIJ-MRXNPFEDSA-N 355.463 2.952 30 40 FFEB C#Cc1cccc(NC(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1 43986130 BMERKXVFZFTOLO-KRWDZBQOSA-N 355.463 2.924 30 40 FFEB CCOC(=O)C1CCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 14188719 SBZSUVOOZNLNDX-GFCCVEGCSA-N 363.845 2.814 30 40 FFEB C#CCn1c(C)c(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21 409226490 UGFDTNSKZNNKIY-YBSAJQQWSA-N 357.413 2.724 30 40 FFEB Cc1occc1-c1nnc(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)n1C 7236598 BCYCIQVEBXRPGF-YVEFUNNKSA-N 361.471 2.919 30 40 FFEB N#Cc1cccc(CNC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c1 45405861 NYYBMYCNDDCVFW-UHFFFAOYSA-N 350.374 2.609 30 40 FFEB CC/N=C1/S[C@H](CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C(=O)N1CC 17877298 QKGWDOVHFBMVTA-PHODEOQFSA-N 364.427 2.572 30 40 FFEB CCOC(=O)c1cc(C#N)c(SCC(=O)c2ccc(OC)cc2)nc1N 18240947 JZAFIFZHTWHTTH-UHFFFAOYSA-N 371.418 2.696 30 40 FFEB C/C(=C\C(=O)C(F)(F)F)N1CCN(Cc2ccc3c(c2)OCO3)CC1 25686541 BTNPTOLBDYTNAF-XYOKQWHBSA-N 356.344 2.568 30 40 FFEB C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CCOc2cccc(F)c2)C1=O 60346533 YTRPWMVFJKCKOS-IBGZPJMESA-N 353.353 2.543 30 40 FFEB C=CCNc1nc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)cs1 10135159 BWCYYBKMZRASHL-LBPRGKRZSA-N 362.455 2.629 30 40 FFEB O=C(O)C[C@H]1S/C(=N\N=C\c2ccco2)N(c2ccc(F)cc2)C1=O 5025978 QLQPMTNUNYPAMW-QAWGQHKHSA-N 361.354 2.732 30 40 FFEB O=c1c2ccccc2nc(N/N=C/c2ccc(Br)cc2)n1O 5573208 KMJOYYXWTMLWLH-RQZCQDPDSA-N 359.183 2.842 30 40 FFEB COc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3cccc(C)c3)C2=O)cc1 408533304 JWJNOSMOZTZDNS-MRXNPFEDSA-N 351.362 2.605 30 40 FFEB COc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(C)cc3)C2=O)c1 408529987 DNTCWAJIKLOYHF-MRXNPFEDSA-N 351.362 2.605 30 40 FFEB C=CCOc1ccc(NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 224832543 UUCVJSLVQBTVEQ-SFHVURJKSA-N 374.462 2.823 30 40 FFEB CCOC(=O)c1sc2ncn(Cc3ccccc3C#N)c(=O)c2c1C 5556179 LBTJGVREJNAMBD-UHFFFAOYSA-N 353.403 2.863 30 40 FFEB C=CCn1c(N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)nc2ccccc21 19016159 COMWSTBXLJZEKY-KRWDZBQOSA-N 368.481 2.734 30 40 FFEB COc1ccc(OC)c([C@H]2C3=C(CCCC3=O)Nc3c(C#N)cnn32)c1 40266983 LUUIRGAQVVMXRX-SFHVURJKSA-N 350.378 2.794 30 40 FFEB Cc1ccc(S(=O)(=O)OCCNC(=O)c2ccc(Cl)cc2)cc1 3276814 FSAQGUUQZOCDBL-UHFFFAOYSA-N 353.827 2.784 30 40 FFEB N#Cc1c(SCCN2CCOCC2)nc(N2CCCC2)c2c1CCCC2 20573703 ANQUZTSWBOSKAU-UHFFFAOYSA-N 372.538 2.857 30 40 FFEB C=C(CO)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 4026564 FHMTWLTWUUIXDI-BZDFKLGJSA-N 360.494 2.769 30 40 FFEB biogenic C=CCOc1ccccc1[C@H](c1c(O)n[nH]c1C)c1c(C)nn(C)c1O 409004714 QCHMWGHDBHOVHM-QGZVFWFLSA-N 354.410 2.916 30 40 FFEB Cc1cc(N/N=C/c2c(O)ccc3ccccc23)nc(N2CCOCC2)n1 4859727 MYQIGXQJBUYHDW-FYJGNVAPSA-N 363.421 2.926 30 40 FFEB C#CCN1C(=O)S/C(=C/c2cc(OC)c(O)cc2Br)C1=O 409045735 HNHHVXOLLFHMPW-WUXMJOGZSA-N 368.208 2.833 30 40 FFEB COc1cccc(/C=N/c2ccc(S(=O)(=O)N3CCCC3)cc2)c1O 96465747 PQJXEAFWFNALNE-CPNJWEJPSA-N 360.435 2.936 30 40 FFEB CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)ccc1OC 408729251 YQNUEENICSVLQD-VQRQYWEJSA-N 366.417 2.625 30 40 FFEB O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1cccc(Br)c1)[C@@H]1C[C@@H]31 409181871 GFXDIRIUGLNLIP-SVABIKKMSA-N 371.234 2.836 30 40 FFEB CC(=O)c1ccc(NC(=O)NCCCCCc2n[nH]c(N)c2C#N)cc1 32824188 WQOGHJGVEWWJCL-UHFFFAOYSA-N 354.414 2.601 30 40 FFEB CCOC(=O)[C@H](C#N)C(c1cc(Cl)ccc1O)[C@H](C#N)C(=O)OCC 16682114 JVFDZIHTCPFBRW-NNQSOWQGSA-N 364.785 2.535 30 40 FFEB COC(=O)/C=C1\C(O)=N/C(=N\c2nc(C)cc(C)n2)N1c1cccc(C)c1 16944348 JJYMRUMQBMZJLQ-XNTDXEJSSA-N 365.393 2.923 30 40 FFEB Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)o1 19216349 UBWHMWJFXWIAQG-QGZVFWFLSA-N 354.406 2.728 30 40 FFEB C#CCN1CCC[C@](C[C@H]2CC(c3cccc(F)c3)=NO2)(C(=O)OCC)C1 19529989 CVZQEJBBLMDDOH-WIYYLYMNSA-N 372.440 2.987 30 40 FFEB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)Oc2ccccc2C#N)cc1 11399887 PPAXGJXHKABIJN-OAHLLOKOSA-N 351.406 2.731 30 40 FFEB C=CCOc1ccc(/C=C2/SC(=O)N(CN3CCOCC3)C2=O)cc1 20311113 FMGGAMWHGBFCSB-FOWTUZBSSA-N 360.435 2.577 30 40 FFEB C=CCSC(Nc1ccc(C)c(C)c1)=C1C(=O)N(C)C(=O)N(C)C1=O 409375277 IFRIYLQIQBYZLO-UHFFFAOYSA-N 359.451 2.897 30 40 FFEB COc1cc(C/C(O)=N/c2nc(-c3ccco3)n[nH]2)cc(OC)c1OC 12913539 OTTXAUNLZDEIPM-UHFFFAOYSA-N 358.354 2.921 30 40 FFEB CCc1ccccc1N=C[C@@H]1C(=O)NC(=O)N(c2ccccc2OC)C1=O 408534173 LPGDSXAXVFIQEO-CQSZACIVSA-N 365.389 2.859 30 40 FFEB COc1cc(-c2c(-c3ccccc3)c[nH]c(=N)c2C#N)ccc1OCC(N)=O 408978035 GTFLTMLICFRXHN-UHFFFAOYSA-N 374.400 2.573 30 40 FFEB COc1ccc(COc2nn(Cc3ccc(OC)cc3)c(N)c2C#N)cc1 225848305 KWVSTSASOMDOTL-UHFFFAOYSA-N 364.405 2.981 30 40 FFEB COC(=O)/C=C/c1n[nH]c(/N=C(\O)CSc2nc3ccccc3o2)n1 95482012 CIEFWOLKEFZRQT-VOTSOKGWSA-N 359.367 2.512 30 40 FFEB C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccn1 5408878 LLSZTKOMAXZZBA-ZBEGNZNMSA-N 372.808 2.694 30 40 FFEB COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(OC)cc1 6786125 IIYNCIDPQMRCMV-KRWDZBQOSA-N 371.389 2.903 30 40 FFEB biogenic Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)NC2=C1C(=O)CC(C)(C)C2 100257130 CKWNGNMRBIWXPT-GFCCVEGCSA-N 371.393 2.621 30 40 FFEB Oc1ccccc1/C=N/CCOCCOCC/N=C/c1ccccc1O 102997202 DVPLVNRQOUXQGN-YHARCJFQSA-N 356.422 2.669 30 40 FFEB C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(NC(=O)C2CC2)cc1 28045122 ADMLDNFUQDSQRG-ZDUSSCGKSA-N 369.446 2.946 30 40 FFEB O=C(NCC#Cc1ccccc1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 36396794 ZCUJWQLSBITGRL-HXUWFJFHSA-N 358.441 2.696 30 40 FFEB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1ccc(C#N)cc1 3365880 CDMKMWSDPRLEDF-UHFFFAOYSA-N 371.418 2.991 30 40 FFEB COc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 408535237 NHCUDNAZTZUJOS-OAHLLOKOSA-N 371.780 2.950 30 40 FFEB Cc1c(Br)c2ccccc2n1CC(=O)n1ncc(C#N)c1N 65477028 FDZAXEISLSHGDX-UHFFFAOYSA-N 358.199 2.703 30 40 FFEB N#CCCN1CCN(C2=NC(=O)/C(=C\c3ccc(Cl)cc3)S2)CC1 19847965 RZJQWLAJGQIBJC-NTCAYCPXSA-N 360.870 2.842 30 40 FFEB CC(C)Oc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c(O)c1 408591207 RZPXJBKHNNPOPI-CGCVVEAISA-N 354.406 2.711 30 40 FFEB C=C1C[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](OC(=O)/C(C)=C\C)C[C@@]2(C)OC1=CC2=O 72320071 BITFKDUCQOBZDL-ZTAGFDBYSA-N 358.390 2.554 30 40 FFEB biogenic,in-vitro CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(CC#N)cc3)ccc21 15030327 JOUZYJMCOBDMFV-UHFFFAOYSA-N 369.446 2.717 30 40 FFEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccccc2F)cc1 11914455 LMBPEVUJPLODHB-QGZVFWFLSA-N 355.365 2.705 30 40 FFEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CC(=O)O)[C@H]2c2ccc(F)cc2)cc1 102884913 QYZYZZFTQRDTPL-HVESIFNPSA-N 369.348 2.640 30 40 FFEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CC(=O)O)cc1 102875347 TWYRBGOKZMZMPE-GROYHEBESA-N 351.358 2.501 30 40 FFEB N#C[C@@H](C(=O)NCc1ccco1)C(=O)c1ccc(OC(F)(F)F)cc1 103259591 VJPLETHLFOODRX-CYBMUJFWSA-N 352.268 2.817 30 40 FFEB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C#N)cc1 3477619 ZEKJJRWNNRKNTA-ZDUSSCGKSA-N 374.418 2.589 30 40 FFEB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)N[C@](C)(C#N)C(C)C 5326627 IPYFDNFATOTLDY-QGZVFWFLSA-N 365.455 2.535 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 8562391 TVCYNVUONLUASP-CYBMUJFWSA-N 369.377 2.917 30 40 FFEB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1cccc(Br)c1 409181868 GFXDIRIUGLNLIP-NNTZHCNHSA-N 371.234 2.836 30 40 FFEB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1c1ccc(C#N)nn1 95999465 RTCIXWRONVYEMM-SFHVURJKSA-N 360.421 2.729 30 40 FFEB C#CCN1C(=O)S/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)C1=O 409046202 JNIIQPKLFIRFFG-RVDMUPIBSA-N 352.371 2.845 30 40 FFEB Cc1ccc(N=C[C@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)c(C)c1 408534435 LZGSWTGZNGEXFX-JKQORVJESA-N 353.422 2.889 30 40 FFEB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C 7477626 AJZOAOKLISKNQP-FQEVSTJZSA-N 368.437 2.700 30 40 FFEB Cc1nc([C@H]2CN(/C(O)=N/[C@H]3C[C@H](c4cccc(F)c4)C3)CCO2)no1 328601895 GHTKCGYLROXSJS-FVQBIDKESA-N 360.389 2.751 30 40 FFEB CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc1 6432317 TZRYYLNVSNFNMG-LFYBBSHMSA-N 359.403 2.531 30 40 FFEB CN(C)c1oc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)nc1C#N 12421210 XSEQNBTUWFJHJM-UHFFFAOYSA-N 374.466 2.844 30 40 FFEB N#Cc1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 7952046 BLNZKGPPALUBMH-UHFFFAOYSA-N 355.825 2.939 30 40 FFEB C=CCNS(=O)(=O)c1cc(C(=O)Nc2ncc(C)s2)ccc1Cl 28777626 LSWQZGVFJNATSI-UHFFFAOYSA-N 371.871 2.822 30 40 FFEB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Cn1cnc(C#N)n1 12980376 ITDUPTUKIFICEK-UHFFFAOYSA-N 355.785 2.722 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(OC)cc2OC)cc1 16994701 DSGQDCRIXYBOAH-QGZVFWFLSA-N 369.373 2.578 30 40 FFEB biogenic CC(C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 5376914 PPEPWAIYOHHOIV-TWWIOWFMSA-N 372.899 2.597 30 40 FFEB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(CCCC#N)c3ccccc32)cc1 4559141 QWFHGIVANNQGRC-NRFANRHFSA-N 364.401 2.806 30 40 FFEB Cc1sc2ncn(CCC(=O)Oc3ccc(C#N)cc3)c(=O)c2c1C 14850357 AZTKOBQPJKCAQN-UHFFFAOYSA-N 353.403 2.942 30 40 FFEB C=CCn1c(C)nnc1S[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 4936300 BHTCQBAANZGVQB-NSHDSACASA-N 359.455 2.850 30 40 FFEB Cc1csc([C@H](C#N)C(=O)CSc2nnc(-c3ccco3)n2C)n1 7834370 DSFYBPSEMSDSBZ-SNVBAGLBSA-N 359.436 2.809 30 40 FFEB Cn1cc(CN2CCN([C@@H](C#N)c3ccccc3)CC2)c(-c2cccnc2)n1 95430344 CXGIJAFPNCLEHO-NRFANRHFSA-N 372.476 2.865 30 40 FFEB O=[N+]([O-])c1cc2c(cc1/C=N\c1ccc(N3CCOCC3)cc1)OCO2 408931589 NPSPKCHJGSUPLO-ODLFYWEKSA-N 355.350 2.911 30 40 FFEB CCOc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(OCC)c1 254414611 JABPDADPXZNWGV-DSIZOQBWSA-N 354.406 2.625 30 40 FFEB O=C(/C=C/c1ccc(O)cc1)c1ccc(OCC(=O)N2CCOCC2)cc1 7700849 HOZOSGFXQVJMKT-XCVCLJGOSA-N 367.401 2.526 30 40 FFEB N#CC1(NC(=O)CSc2nncn2-c2cccc(Cl)c2)CCCC1 36633693 XOLWAFRJZBUEBB-UHFFFAOYSA-N 361.858 2.965 30 40 FFEB CCCCCOc1ccc(/C=N/Nc2nc(=O)[nH]nc2C)cc1OCC 4422731 AWCFGTAWILIWKZ-XDHOZWIPSA-N 359.430 2.887 30 40 FFEB N#Cc1ccc(Cn2c(C[C@@H]3CCS(=O)(=O)C3)nc3ccccc32)cc1 6590112 XCXBWYOQLNNADY-KRWDZBQOSA-N 365.458 2.933 30 40 FFEB CCOC(=O)C1=C(C)N=C(SCC#N)N[C@@H]1c1ccc(N(C)C)cc1 408990091 MJOSVIYMIOYDLF-MRXNPFEDSA-N 358.467 2.847 30 40 FFEB Cc1ccc(S(=O)(=O)/N=C(\O)N(C)c2cc(N3CCCC3)ccn2)cc1 31671528 MITOWNDDIFTIEB-UHFFFAOYSA-N 374.466 2.729 30 40 FFEB COc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccccc3C)C2=O)c1 408537643 WLHOQMOHSJMQSM-OAHLLOKOSA-N 351.362 2.605 30 40 FFEB Cc1ccsc1CCC(=O)N1C[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]2C1 1888865625 FVDVAWFZOJHYKG-IRXDYDNUSA-N 366.490 2.851 30 40 FFEB O=C1C[N+]2(CCOCC2)C[C@H](Cn2c3ccccc3c3ccccc32)O1 211070351 VOCBAYBWFWEXOY-INIZCTEOSA-N 351.426 2.567 30 40 FFEB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 20028894 DNRYLBMABIANMQ-IBGZPJMESA-N 370.424 2.652 30 40 FFEB COc1c2c(cc3c1[C@H](C/C(=N/O)c1ccncc1)N(C)CC3)OCO2 20111927 OMVVQWWNTLLIGV-JTMDUIFQSA-N 355.394 2.617 30 40 FFEB biogenic CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2O)[C@H]1c1ccccc1 20310628 RMPWZPKOXLXJSN-GOSISDBHSA-N 366.417 2.532 30 40 FFEB N#Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 8053137 CXOMTWAFQFITSJ-UHFFFAOYSA-N 359.798 2.593 30 40 FFEB N#Cc1ccc(N2CCC(C(=O)N3CCc4sccc4C3)CC2)nc1 24149284 IEKSFOXZDKMBTC-UHFFFAOYSA-N 352.463 2.816 30 40 FFEB C[C@H](Sc1nc2sccc2c(=O)[nH]1)C(=O)Nc1cccc(C#N)c1 8456701 LDTDHDFAWUKJDI-VIFPVBQESA-N 356.432 2.976 30 40 FFEB CCNC(=O)Nc1ccc(Oc2ncnc(N)c2/C=N/OC)cc1Cl 66080466 BJHCYTJNPVGSBZ-QPSGOUHRSA-N 364.793 2.626 30 40 FFEB in-vivo CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2)cc1 7238865 LKXUMEQKJQYCPR-UHFFFAOYSA-N 351.472 2.922 30 40 FFEB CCc1cccc(CC)c1NC(=O)CN1CCN([C@@H](C#N)C(C)C)CC1 95394538 JKOCPWMOCWVJTL-IBGZPJMESA-N 356.514 2.916 30 40 FFEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cc([N+](=O)[O-])ccc1Cl)[C@H]1C=C[C@H]2CC1 409183762 SQAZGQMWEYHIIL-HOSLIFNWSA-N 359.769 2.779 30 40 FFEB C=CCN1C(=O)CCC[C@]12CCCN(C(=O)Cc1ccc(OC)cc1)C2 96077097 DBVQSOVFEMODRN-OAQYLSRUSA-N 356.466 2.797 30 40 FFEB COC[C@H](C)/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(C)c(Cl)c2)S1 15353614 BUAUMXNMBFNHSO-GWCFXTLKSA-N 369.874 2.600 30 40 FFEB C#CC(CC)(CC)NC(=O)CSc1nnnn1-c1c(C)cccc1C 14093816 VVZARVWLIALUCV-UHFFFAOYSA-N 357.483 2.679 30 40 FFEB N#Cc1ccc(CN2CCN(c3nccc(-c4ccccn4)n3)CC2)cc1 2087018072 DGQGSNFLPIEXMR-UHFFFAOYSA-N 356.433 2.732 30 40 FFEB CO[C@@H]1C=CC(=O)[C@@](C)(c2ccc(S(=O)(=O)c3ccccc3)cc2)O1 1589063 BSMULYPUCAQMJS-RBUKOAKNSA-N 358.415 2.863 30 40 FFEB C=CCN1C(=O)/C(=C\Nc2ccc(N(CC)CC)cc2)C(=O)N=C1S 102533286 ZMEZNYYNIZZVBV-QINSGFPZSA-N 358.467 2.669 30 40 FFEB N#C[C@H](C(=O)[C@H]1COCCO1)c1nc2cc(C(F)(F)F)ccc2s1 41548296 XHLAEALAOXNCSM-MWLCHTKSSA-N 356.325 2.907 30 40 FFEB N#Cc1cccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1 12194618 SBWGCCNXFXYJKK-UHFFFAOYSA-N 355.419 2.741 30 40 FFEB COc1cc(/C=C/C(=O)[C@H]2C(=O)C=C(C)OC2=O)ccc1OC(F)F 3549242 CALABHBDSDRAPK-UJAVWCLSSA-N 352.289 2.525 30 40 FFEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OC)c1OCC(=O)O 408815285 HDXATRODOPVLND-JYRVWZFOSA-N 363.391 2.553 30 40 FFEB COc1cccc(N2CCO[C@H]2c2cn(Cc3cccc(C#N)c3)nn2)c1 216765327 UDRILOBGIDSRSA-FQEVSTJZSA-N 361.405 2.742 30 40 FFEB COc1cccc(N2CCc3nc(N)c(C#N)c([C@H]4CCOC4)c3C2)c1 72145592 YKMWWEWLFSDSTQ-ZDUSSCGKSA-N 350.422 2.611 30 40 FFEB CCCCCCCCc1cccc(NC(=O)[C@@H](N)COP(=O)(O)O)c1 137955562 MRUSUGVVWGNKFE-INIZCTEOSA-N 372.402 2.965 30 40 FFEB CCOC(=O)C1=C(C)C(C(=O)OCC)=C2C(=O)c3ccccc3C(O)=C12 255190630 YKRAEKDQCKKFLE-UHFFFAOYSA-N 354.358 2.905 30 40 FFEB C[C@@H]1CN(c2ccc(CNC(=O)N3CCC(C#N)CC3)cc2F)C[C@@H](C)O1 57994040 KRZLTCSVODRAQL-HUUCEWRRSA-N 374.460 2.884 30 40 FFEB Cc1cc(N(C)C)nc(N2CCN(c3cc(C#N)c4ccccc4n3)CC2)n1 1889201633 PVGDPUOHCPCQPF-UHFFFAOYSA-N 373.464 2.598 30 40 FFEB O=C1C(=O)N(CCCn2ccnc2)[C@@H](c2ccco2)/C1=C(\O)c1ccco1 104199588 ALNPDTCANZKKBE-UYTDBDHRSA-N 367.361 2.581 30 40 FFEB COc1nccnc1NS(=O)(=O)c1ccc(/N=C/c2ccco2)cc1 100296398 NTEGGSVKBPFHKR-YBFXNURJSA-N 358.379 2.630 30 40 FFEB Cc1[nH]c(=O)nc(SCC(=O)N[C@@H](C)c2cc3ccccc3o2)c1C#N 32776413 JISBKRXFDVJEMZ-NSHDSACASA-N 368.418 2.666 30 40 FFEB Cc1ccc(NC(=O)CN(C)CC(=O)N(C)C2(C#N)CCC(C)CC2)cc1 12803257 ZWVYKTJRIUPMFD-UHFFFAOYSA-N 370.497 2.796 30 40 FFEB C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)CCCC(C)C)cc1 12916890 XLROBHGICDREHT-OAHLLOKOSA-N 350.484 2.543 30 40 FFEB COc1cc2c(cc1OC)CN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2 7984674 NWOKFBFJDAABBW-XOBRGWDASA-N 359.470 2.505 30 40 FFEB C=CCOc1ccccc1[C@@H](c1c(O)n[nH]c1C)c1c(C)nn(C)c1O 409004712 QCHMWGHDBHOVHM-KRWDZBQOSA-N 354.410 2.916 30 40 FFEB CCOC(=O)[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 218032649 CTHVNZYEIIDUDK-JENIJYKNSA-N 355.415 2.699 30 40 FFEB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1c(O)ccc2ccccc12 222246116 QQRCACCILUTOLS-NPLUOCEWSA-N 358.397 2.932 30 40 FFEB N#Cc1c(F)cc(CNC(=O)C[C@@H]2CC(=O)Nc3ccccc32)cc1F 1155209109 DUHGOAWRGBVRER-GFCCVEGCSA-N 355.344 2.969 30 40 FFEB C#CCOc1ccc([C@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)cc1OC 6678816 JHTIURZMAFDTSM-MEDUHNTESA-N 357.435 2.902 30 40 FFEB O=C(CCC(=O)N1CCc2sccc2C1)NCC#Cc1ccccc1 55765507 UXHZOCXVHDGQKV-UHFFFAOYSA-N 352.459 2.581 30 40 FFEB Cc1n[nH]c(=S)n(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1=O 18192498 ICCOFQYWUHEZTI-LZYBPNLTSA-N 357.351 2.660 30 40 FFEB CCS(=O)(=O)N1CCc2cc(C(=O)COc3ccc(C#N)cc3)ccc21 5426528 RRAIYBOIQPBBBE-UHFFFAOYSA-N 370.430 2.532 30 40 FFEB N#CCSc1nc2nccnc2c(=O)n1CCc1c[nH]c2ccccc12 6818644 LSLFMJUAUWIAPB-UHFFFAOYSA-N 362.418 2.526 30 40 FFEB C=CCCn1cc(C(=O)N2CCC3(CC2)OCCc2ccccc23)nn1 574749851 CSICNOQPHCOAQV-UHFFFAOYSA-N 352.438 2.558 30 40 FFEB CC1CCN(c2nc(O)c3c(n2)NC(=O)C[C@@H]3c2ccc(C#N)cc2)CC1 585655785 LTRPOGZBTCIIKK-OAHLLOKOSA-N 363.421 2.764 30 40 FFEB CNc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCC3)s1 7101711 QSGNWHIFVWXSGT-UHFFFAOYSA-N 351.482 2.732 30 40 FFEB N#Cc1ccc(OCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 25265134 VLMHDIMFXQLTNG-QPJJXVBHSA-N 361.445 2.795 30 40 FFEB Cc1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2ccco2)s1 102752509 XHOHXUDDHQAAPX-RVROTUBLSA-N 357.347 2.659 30 40 FFEB C=CCc1ccccc1OC[C@H](O)CN1C(=O)N(C)C2(CCCCC2)C1=O 58013070 BZRQGIONTCXVQR-QGZVFWFLSA-N 372.465 2.752 30 40 FFEB COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccc(O)c1 6786136 FKAGEVZCRDIHQN-INIZCTEOSA-N 357.362 2.600 30 40 FFEB C=CCNC(=O)CN(c1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 409389974 RTRHEBNAAVLUBC-UHFFFAOYSA-N 374.462 2.501 30 40 FFEB C=CCN1CCC[C@]12CCCN(S(=O)(=O)c1cc(F)cc(F)c1)C2 96214842 UEVZGRRGTBKLFS-QGZVFWFLSA-N 356.438 2.770 30 40 FFEB C=CCn1/c(=N/C(=O)C(C)(C)C)sc2cc(S(C)(=O)=O)ccc21 100874539 DINQBGFMYQKUTE-ICFOKQHNSA-N 352.481 2.766 30 40 FFEB C#CCn1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)c2ccccc21 112265133 MAQJTHBQMNTUDO-FKYDJDFASA-N 357.413 2.806 30 40 FFEB Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(N)nc(=O)c32)cc1 4385820 SHUHKTRZAXBVBG-CQSZACIVSA-N 350.422 2.861 30 40 FFEB C=CCN1C(=O)COc2ccc(-c3nc(NC(=O)COC)sc3C)cc21 19820215 BALVAYORZXFBNL-UHFFFAOYSA-N 373.434 2.615 30 40 FFEB COc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(C)cc3)C2=O)cc1 408536256 QSPGWBCUNIQKDS-MRXNPFEDSA-N 351.362 2.605 30 40 FFEB COc1cccc(S(=O)(=O)/N=C(O)/C=C/c2ccc3c(c2)CCO3)c1 58185907 ZRNZIPAXUQXHBJ-SOFGYWHQSA-N 359.403 2.989 30 40 FFEB CCOC(=O)/C(=N/Nc1cccc(C(=O)Nc2ccccc2)c1)C(C)=O 5315190 BOEKGOZIHIDHSI-OQKWZONESA-N 353.378 2.859 30 40 FFEB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1 4119695 ZULKGKSPSXEPNF-PLWJUESGSA-N 369.343 2.693 30 40 FFEB Cc1ccc(S(=O)(=O)/N=C(\O)OC[C@@H]2CCCN3CCCC[C@H]23)cc1 20528378 HPBCBVUZQRZNAT-DOTOQJQBSA-N 366.483 2.879 30 40 FFEB C=CCN(CC(F)(F)F)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 58223123 MVQIKPGECIHDGH-UHFFFAOYSA-N 365.359 2.727 30 40 FFEB C=CCN1CCN([C@@H](c2ccc(Cl)cc2)c2nnnn2C(C)(C)C)CC1 20139396 BJFMWMKWBAVFGF-KRWDZBQOSA-N 374.920 2.975 30 40 FFEB C=CCN(CC=C)c1nc2ccccc2nc1[C@H](C#N)C(=O)OCCOC 2300740 ACVMJYMVYNOSNH-HNNXBMFYSA-N 366.421 2.605 30 40 FFEB N#Cc1ccc(NC(=O)CCn2ncc(=O)c3ccccc32)cc1Cl 8331573 GMVBNBFFWMTRQZ-UHFFFAOYSA-N 352.781 2.950 30 40 FFEB C=CCN(c1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)c1ccccc1 224372868 HZEGDPZILUDXDG-UHFFFAOYSA-N 356.447 2.960 30 40 FFEB Cc1nnccc1N=C(O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 330141347 XQDRRCLEKGFIPD-AWEZNQCLSA-N 355.446 2.528 30 40 FFEB C=CCN1C(=O)/C(=C\c2cn(CC=C)c3ccccc23)C(=O)NC1=S 15013115 ZKIFEUXMIIBWBR-PTNGSMBKSA-N 351.431 2.640 30 40 FFEB COc1cc(CC(=O)Nc2ccc(OCC#N)cc2)cc(OC)c1OC 23150636 IVQICHRCXCTHJS-UHFFFAOYSA-N 356.378 2.796 30 40 FFEB C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(C)C)c1 36393930 JBVOFDOFEOWAHZ-UHFFFAOYSA-N 356.447 2.974 30 40 FFEB O=C(C[C@@H]1S/C(=N\c2ccccn2)NC1=O)Nc1ccc(Cl)cc1 12798247 JNCZIKTXJZVFNZ-LBPRGKRZSA-N 360.826 2.983 30 40 FFEB Cc1ccc(C)c(S(=O)(=O)/N=C(\O)[C@H](C)OC[C@@H]2CCCCO2)c1 64099599 TUNFZCXEHAKJDN-GJZGRUSLSA-N 355.456 2.923 30 40 FFEB COc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(C)cc3C)C2=O)cc1 408534898 MWDVWWRDXTXECD-MRXNPFEDSA-N 365.389 2.914 30 40 FFEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1n[nH]c2ccccc12 5560498 KRPIDJJMMNCJJO-UHFFFAOYSA-N 354.753 2.883 30 40 FFEB O=C1Oc2ccccc2C(=O)/C1=C\NCC[C@@H]1C(=O)Nc2ccc(F)cc21 1547200861 LVXMVFJXWPYKDV-XBUHWIKASA-N 366.348 2.527 30 40 FFEB CCOc1cc(-c2c3c([nH]c(=N)c2C#N)CCCC3)ccc1OCC(=O)O 408977980 GNVHKDFXUVKSQG-UHFFFAOYSA-N 367.405 2.774 30 40 FFEB N#Cc1cc(N)ccc1N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 70462086 KXNJCDHVIFLGTB-UHFFFAOYSA-N 354.841 2.685 30 40 FFEB C=CCO[C@H]1CN(C(=O)c2cn3cc(Cl)ccc3n2)[C@@H]2CCCO[C@H]12 2055754586 GDCONWPRBMBXAB-VYDXJSESSA-N 361.829 2.562 30 40 FFEB C[C@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1C#N 3459832 PSFDXOHJFLWYSE-LBPRGKRZSA-N 352.346 2.513 30 40 FFEB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCC#Cc2ccccc2)c1 56231932 IMMDSAOWPAWVNJ-UHFFFAOYSA-N 350.374 2.812 30 40 FFEB C=CCn1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1cccc(C)c1 3400880 VXQULAVFZDMHOU-INIZCTEOSA-N 372.494 2.827 30 40 FFEB O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1ccc(F)cc1)c1ccco1 18118004 PTPDTLVDPFVYFP-OAHLLOKOSA-N 365.320 2.992 30 40 FFEB COCCNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 6602773 JLINXMONECHWPY-UHFFFAOYSA-N 369.446 2.665 30 40 FFEB CN1C(=O)/C(=N\OC(=O)c2cccc(Br)c2)c2ccccc21 32116493 PMNRILNSSWGYRO-JXAWBTAJSA-N 359.179 2.987 30 40 FFEB C[C@H]1CCc2sc(NC(=O)C3(S(C)(=O)=O)CC3)c(C#N)c2[C@@H]1C 297829579 MNWATPLYBXNGJK-VHSXEESVSA-N 352.481 2.821 30 40 FFEB COc1ccc2c(c1)CCC[C@@]21NC(=O)N(Cc2ccccc2C#N)C1=O 12775613 YFTZDTMLRRDPGT-OAQYLSRUSA-N 361.401 2.850 30 40 FFEB COC(=O)/C(=N\Nc1ccc(OC)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 30836025 ZQJCABWTIFAFDV-SDXDJHTJSA-N 374.309 2.501 30 40 FFEB N#Cc1cccc(NC(=O)CN2CCN(c3ccccc3Cl)CC2)c1 54530517 KAYJNAWJCSFWHY-UHFFFAOYSA-N 354.841 2.972 30 40 FFEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1C 101310626 QQJIOFACVSBDBZ-NHYXNVPJSA-N 366.508 2.705 30 40 FFEB N#Cc1ccc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1 58193497 OIUFBVZNXLVFKZ-IWGBCORSSA-N 373.456 2.921 30 40 FFEB Cc1ncc(CO)c(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1O 5164012 ILEGTLHBMBHDOR-CGOBSMCZSA-N 370.287 2.961 30 40 FFEB O=C(C1=C(C(F)(F)F)Nc2ncnn2[C@H]1c1cccnc1)c1ccco1 6276632 SLXARACIWAVPKH-LBPRGKRZSA-N 361.283 2.980 30 40 FFEB C=CCOc1ccc(C(=O)NCc2cc([N+](=O)[O-])ccc2O)cc1OC 14017065 RGJVQKOKNGLCLR-UHFFFAOYSA-N 358.350 2.804 30 40 FFEB CCN1CCN(c2ccc(-c3noc(C4(C#N)CCC4)n3)cc2F)CC1 546373653 VCOXGIHOEZCKIU-UHFFFAOYSA-N 355.417 2.963 30 40 FFEB Cc1nn(C)c(C)c1OCC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 505941882 FFDUIBAERBRGQG-AWEZNQCLSA-N 366.343 2.816 30 40 FFEB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)C(=O)O)cc1 242688563 VSUFQRGPXVZPND-ZIFCJYIRSA-N 355.415 2.838 30 40 FFEB COC1=CC(=O)C[C](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O 1560404588 MRQPPEPATVEOQY-KRWDZBQOSA-N 351.762 2.769 30 40 FFEB CN1CCN(Cc2c(O)ccc3c2O/C(=C\c2cccc(F)c2)C3=O)CC1 20518751 RZDWJIIYFGYGHS-UNOMPAQXSA-N 368.408 2.895 30 40 FFEB N#Cc1cccnc1N1CCC(CNC(=O)NCc2cccs2)CC1 70929492 UNLHSRCLNQLZSY-UHFFFAOYSA-N 355.467 2.731 30 40 FFEB N#Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)c1 8053130 UTIXTRFABWHNEC-UHFFFAOYSA-N 359.798 2.593 30 40 FFEB C=CCn1nnc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 10010798 JQZMEALIDUFFMP-CSKARUKUSA-N 366.337 2.679 30 40 FFEB CN1/C(=C\C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)C(C)(C)c2ccccc21 103090901 GTTYTSMXEOJSSD-CDXGLEHBSA-N 364.445 2.818 30 40 FFEB C=CCn1c(O)nc(O)c(C(=O)/C=C/c2ccccc2C(F)(F)F)c1=O 9361258 YNLKLIQRLXPTEH-BQYQJAHWSA-N 366.295 2.755 30 40 FFEB N#CCCN(CCC#N)C(=O)COC(=O)c1cccc(Cl)c1Cl 22527742 PTYXDLVTYZIDSA-UHFFFAOYSA-N 354.193 2.806 30 40 FFEB COc1ccc(F)cc1CN1CCN(C(=O)c2cccc(C#N)c2)CC1 24386342 AJKRLXWYALKXDF-UHFFFAOYSA-N 353.397 2.664 30 40 FFEB CCOC(=O)/C(=N/Nc1sc2c(c1C(=O)OCC)CCCC2)C(C)=O 100206165 KSUMQUCXGNUEKT-NBVRZTHBSA-N 366.439 2.724 30 40 FFEB C[C@H]1[C@]2(C)OC(=N)[C@@]1(C#N)C(C#N)(C#N)[C@@H](c1ccc([N+](=O)[O-])cc1)O2 102716151 BCTAXDDPLMJABR-VSCHMZEVSA-N 351.322 2.569 30 40 FFEB CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)cc1 58159423 WZJVMQPNXOTKOX-UHFFFAOYSA-N 362.433 2.522 30 40 FFEB COc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c1O[C@H](C)C(=O)O 409228288 WTOPIBAOGVUTOO-VDCVXVNISA-N 359.338 2.901 30 40 FFEB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(OCC#N)cc2)C1=O 409352562 DHNQZZJEWNVZGY-GQVHDAKQSA-N 374.418 2.967 30 40 FFEB COC(=O)c1oc(CO/N=C(/N)c2cccnc2N2CCCCC2)cc1C 64430309 INBRTCONMLCGGA-UHFFFAOYSA-N 372.425 2.597 30 40 FFEB CN1/C(=C\C(=O)CSc2nnc(C3CC3)n2N)C(C)(C)c2ccccc21 18037096 RTZSFIMVCVPPRF-YBEGLDIGSA-N 369.494 2.842 30 40 FFEB CN(Cc1ccc(F)cc1C#N)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C 500406313 CADHBYGHIGMYEI-OXJNMPFZSA-N 355.461 2.946 30 40 FFEB N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2nc3ccccc3s2)C1 225483020 NWNTUGVZULOJQX-GFCCVEGCSA-N 365.418 2.642 30 40 FFEB N#Cc1ccc(S(=O)(=O)NC[C@H](O)c2cccc3ccccc23)s1 1664980458 LYWAXIJFWOGQGY-INIZCTEOSA-N 358.444 2.785 30 40 FFEB C=CCn1c2cc(C)sc2c2cnn(CC(=O)NC(C)(C)C)c(=O)c21 12113552 IASWSUVLCVUJCA-UHFFFAOYSA-N 358.467 2.822 30 40 FFEB COC(=O)[C@@H](c1ccc([N+](=O)[O-])c(C#N)c1)c1ccc(OC)c(OC)c1 169800216 UYKOXWVQKGQKJB-KRWDZBQOSA-N 356.334 2.789 30 40 FFEB CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccco2)cc1 808054 CHYALZSTHICPHP-INIZCTEOSA-N 355.346 2.945 30 40 FFEB C[C@H]1CCCC[C@@H]1NC(=O)CN1C(=O)CS/C1=C/C(=O)C(C)(C)C 103052776 JCIRXHGMDKZXCS-OAMQDSFOSA-N 352.500 2.713 30 40 FFEB c1cc(OC[C@H]2CO2)cc(-c2nnc(-c3cccc(OC[C@H]4CO4)c3)o2)c1 2258824 IQCCNCOQRRJSTE-ROUUACIJSA-N 366.373 2.959 30 40 FFEB COc1cc(/C=N/O[C@H](C)C(=O)NCC(F)(F)F)ccc1OC(F)F 13020469 RUONOOXWUABSAQ-FYGDVGIVSA-N 370.274 2.714 30 40 FFEB C=CCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 13583654 DZRMNMRRCDRJOQ-ZNMIVQPWSA-N 366.421 2.580 30 40 FFEB C[C@@H](Sc1nnnn1C)C(=O)Nc1sc2c(c1C#N)CCCCC2 8313083 NPKVPMJHMSSMHH-SECBINFHSA-N 362.484 2.531 30 40 FFEB C=CCN1CC[C@@]2(CN(Cc3nccs3)C[C@@H]2c2nccs2)C1=O 306142172 WSAFXIUIIGREFT-DYVFJYSZSA-N 360.508 2.604 30 40 FFEB Cc1cc(C)c2cc(C#N)c(NCCCNC(=O)c3cnccn3)nc2c1 35310898 SZUGBOFYDORPDA-UHFFFAOYSA-N 360.421 2.745 30 40 FFEB COc1c2c(c(C(=O)/C=C/c3ccncc3)c3c1OCO3)CCN(C)C2 20112926 NXMQWPYYCBZGRT-ONEGZZNKSA-N 352.390 2.703 30 40 FFEB biogenic COc1ccc(C2=NO[C@@H](C(=O)Nc3ccc(C#N)cc3)C2)cc1OC 6738541 LZBWCLRADLFISX-GOSISDBHSA-N 351.362 2.707 30 40 FFEB COC(=O)c1sc(NC(=O)c2ccc(OC)cc2OC)c(C#N)c1C 689249 YOUKMIYQDQTXKE-UHFFFAOYSA-N 360.391 2.984 30 40 FFEB CC(C)(CNS(=O)(=O)c1cccc(C#N)c1)N1CCc2ccccc2C1 28059809 FXNZKTDVMJHNMU-UHFFFAOYSA-N 369.490 2.673 30 40 FFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1cccc(NC(=O)C2CC2)c1 12752433 IQZXJGQAVQDVCR-CQSZACIVSA-N 363.417 2.990 30 40 FFEB N#Cc1ccc(COC(=O)CSc2nnc(C3CCCCC3)n2N)cc1 3448345 XHTVHMSIJIKHTN-UHFFFAOYSA-N 371.466 2.747 30 40 FFEB C=CCn1c(-c2cccc(S(=O)(=O)N(CC)CC)c2)n[nH]c1=S 6483065 DMKAAAKHYCOXTP-UHFFFAOYSA-N 352.485 2.824 30 40 FFEB N#Cc1ncn(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)n1 14143872 HXLNPWCNDUYZHE-GFCCVEGCSA-N 368.447 2.651 30 40 FFEB COc1ccc(-n2ccc(/C(O)=N/S(=O)(=O)c3ccccc3C)n2)cc1 65763306 LDCDCUBAOQCKNM-UHFFFAOYSA-N 371.418 2.883 30 40 FFEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1F 5445229 DUVZXMJZBYTZER-GHNGSUTGSA-N 368.408 2.809 30 40 FFEB CCc1ccc(S(=O)(=O)/N=C2/C=CC(=O)C(Br)=C2)cc1 4134576 VENWXVXTEHGQFX-WJDWOHSUSA-N 354.225 2.796 30 40 FFEB C=CCNC(=O)c1sccc1N(CC)S(=O)(=O)c1ccccc1 49004215 GKFULSTVHZLTQS-UHFFFAOYSA-N 350.465 2.879 30 40 FFEB CC(=O)Oc1ccc2c(=O)c(/C=N/c3cc(O)[nH]c(=S)n3)coc2c1 17888905 FHVKHTLQMKEESO-UBKPWBPPSA-N 357.347 2.627 30 40 FFEB N#Cc1cc2c(N)c(C(=O)NCc3ccccc3Cl)sc2nc1N 20029274 HPKRHIBXUSDVEP-UHFFFAOYSA-N 357.826 2.916 30 40 FFEB CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccco2)cc1 808055 CHYALZSTHICPHP-MRXNPFEDSA-N 355.346 2.945 30 40 FFEB O=C1C(Cl)=C(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 102233273 PRTRWSBDUYXHHG-CQSZACIVSA-N 372.764 2.747 30 40 FFEB C=CCOc1ccc(/C=C2\C(=O)N(CC)C(C)=C2C(=O)OC)cc1OC 4894783 OYXMPPUBEMXTMO-PTNGSMBKSA-N 357.406 2.953 30 40 FFEB CCOC(=O)c1sc(N)c(C#N)c1CSc1nnc(NC)s1 7102373 ZYCDPBRTJWCZMX-UHFFFAOYSA-N 355.470 2.564 30 40 FFEB C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](CC)c2ccccc2)cc1 26076758 WFGLJGXOYLTXDU-INIZCTEOSA-N 370.474 2.522 30 40 FFEB C[C@H](Sc1nnc(-c2ccncc2)n1C)C(=O)Nc1ccccc1C#N 3534255 SBFOWVWVNKCESS-LBPRGKRZSA-N 364.434 2.868 30 40 FFEB Cc1occc1-c1nnc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n1C 7236597 BCYCIQVEBXRPGF-PXAZEXFGSA-N 361.471 2.919 30 40 FFEB CCOc1cccc(C(=O)N2CCN(c3ccc(N)cc3C#N)CC2)c1 70462130 BPWOMKPLBPNJIR-UHFFFAOYSA-N 350.422 2.502 30 40 FFEB Cn1ccc(CN2CCC[C@H]2c2cccc(N=c3[nH]cc(C#N)s3)n2)n1 585293293 DYWSYYOQLRYVIJ-INIZCTEOSA-N 365.466 2.646 30 40 FFEB C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 2459065 BMMVSPSOCOMPRR-PXAZEXFGSA-N 355.365 2.785 30 40 FFEB CNc1ccccc1C(=O)/N=C(\N)Nc1nc(C)c2cccc(OC)c2n1 1840806 FDZQGWGBUBRXBA-UHFFFAOYSA-N 364.409 2.556 30 40 FFEB biogenic Cc1ccc(-n2nc(CCCNC(=O)c3ccccc3)c(C#N)c2N)cc1 32931428 WEOOOYYXGBLKRU-UHFFFAOYSA-N 359.433 2.997 30 40 FFEB CNC(=O)[C@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1ccc(C#N)cc1 37195102 DEALYYCGQKEFNU-SFHVURJKSA-N 370.840 2.569 30 40 FFEB COc1ccc(CCC(=O)Nc2cc(C)nn2CCC#N)c(OC)c1OC 58225248 MDHGDJXYALVMFA-UHFFFAOYSA-N 372.425 2.702 30 40 FFEB CCCn1c2c(c(=O)n(C)c1=O)C(=O)/C(=C/c1c(C)cc(C)cc1C)N2 12808910 CPQLRMBOTIQQMQ-GDNBJRDFSA-N 353.422 2.532 30 40 FFEB Cc1ccc(NC(=O)CN(C)[C@H](C)C(=O)N(C)C2(C#N)CCCCC2)cc1 8472317 VBBAZNANOBMTJD-QGZVFWFLSA-N 370.497 2.939 30 40 FFEB Cc1cc(C)c(C#N)c(SCC(=O)NC[C@@H]2COc3ccccc3O2)n1 6983503 MRTIPHCGYMEKIT-CQSZACIVSA-N 369.446 2.618 30 40 FFEB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc(C#N)cc1 7374194 DPJVSSOIHKNUCO-ICSRJNTNSA-N 367.474 2.863 30 40 FFEB N#CCN1CCC(OC(=O)c2nn(-c3ccccc3)c3c2CCC3)CC1 89857546 HJAARSOHYUYCPL-UHFFFAOYSA-N 350.422 2.506 30 40 FFEB Cc1cccc(OC[C@@H]2CCCN(S(=O)(=O)c3ccccc3C#N)C2)n1 1775969376 NMTIDWSOYMJYOV-MRXNPFEDSA-N 371.462 2.741 30 40 FFEB CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(F)cc2C#N)s1 612735510 JWVQSGDWISDEBY-VIFPVBQESA-N 367.427 2.757 30 40 FFEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1 6367883 IIMSJIMYWZECAS-LDADJPATSA-N 371.353 2.786 30 40 FFEB N#Cc1cccc(N2CCOC[C@]3(CCCN(C(=O)c4cc[nH]c4)C3)C2)c1 1146882855 QIFAARNXLKGOIF-OAQYLSRUSA-N 364.449 2.646 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(Br)cc1 100200561 URPZHFWDRVPDSQ-MVBTWDJNSA-N 371.234 2.836 30 40 FFEB Cc1cc(C(=O)OCCOc2ccc(C#N)cc2)c2c(C)nn(C)c2n1 22975541 NRQYKSJTJOWVPB-UHFFFAOYSA-N 350.378 2.693 30 40 FFEB CCOC(=O)CC(=O)CSc1nc(-c2cccnc2)cc(C)c1C#N 37868523 ZGGPHJFSKBYSSY-UHFFFAOYSA-N 355.419 2.938 30 40 FFEB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2ccc(F)c(C#N)c2)C1 548010382 BVUHWLMMNUSQMD-SFHVURJKSA-N 358.442 2.700 30 40 FFEB N#C[C@H]1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@H]1c1ccccc1 19819345 SLRRQDIZISEYNS-CABCVRRESA-N 357.373 2.737 30 40 FFEB COc1cccc(/C=N/c2ccccc2C2=NNC(=S)NC2)c1OC 54363829 ISDDRUXJXBZVFW-VXLYETTFSA-N 354.435 2.636 30 40 FFEB COc1cc(/C=N/Nc2ncnc3c2cnn3-c2ccccc2)ccc1O 3897857 AKHRMFAGIBQWDR-LSHDLFTRSA-N 360.377 2.976 30 40 FFEB C=CCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 409003109 DMBCVVZRWSHTDS-UHFFFAOYSA-N 350.484 2.621 30 40 FFEB COc1cccc(/C(O)=N/S(=O)(=O)Cc2ccc(F)cc2)c1OC 48567299 GKONERAHAXPTLU-UHFFFAOYSA-N 353.371 2.678 30 40 FFEB CN(CN(C)/N=C\c1cccc([N+](=O)[O-])c1)/N=C\c1cccc([N+](=O)[O-])c1 17352804 DOWPVCSHTXJOQX-ZAORYEFMSA-N 370.369 2.692 30 40 FFEB N#Cc1cccc(C(=O)NC[C@@](O)(c2ccccc2)C2CCOCC2)c1 575612337 LQGJGNJMQJXRGT-OAQYLSRUSA-N 350.418 2.602 30 40 FFEB Cc1ccc(S(=O)(=O)N2CCCN(c3ccccc3C#N)CC2)s1 46034563 JHPRQOUXYNAIHT-UHFFFAOYSA-N 361.492 2.829 30 40 FFEB Cc1nc(-c2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccnn3C)c2)cs1 101821949 FVIVVRHYGPAPAN-AWEZNQCLSA-N 365.418 2.813 30 40 FFEB N#Cc1cc([N+](=O)[O-])ccc1NCCN1CCN(Cc2ccccc2)CC1 24107994 MZCWICIZTTYGAH-UHFFFAOYSA-N 365.437 2.696 30 40 FFEB N#Cc1ccccc1OCC(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 58365468 UVBGTWSNQBVDDE-NRFANRHFSA-N 364.401 2.976 30 40 FFEB N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccc(F)cc2)CC1 29528499 PSBKMBSVTYPUNY-UHFFFAOYSA-N 354.341 2.568 30 40 FFEB C=CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(OC)cc1 4345971 PVICIBYHTKDTIQ-UHFFFAOYSA-N 358.467 2.854 30 40 FFEB O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 4813404 MBOWQZBIHFJCBG-MRXNPFEDSA-N 357.793 2.911 30 40 FFEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1cc(Br)cs1 409405036 FYESEBRZSYWGIS-RJVLYZLMSA-N 351.225 2.652 30 40 FFEB CCc1nn2c(nnc3c(=O)n(CCS)ccc32)c1-c1ccccc1 40388316 UNHDQLHGRPQQBJ-UHFFFAOYSA-N 351.435 2.598 30 40 FFEB C#CCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCCCC1 226278914 NAVRAKSPPZZEAS-UHFFFAOYSA-N 354.328 2.968 30 40 FFEB CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(c1ccnc(C#N)n1)CC2 580013207 GFIYTVBRBFPWFB-MRXNPFEDSA-N 367.478 2.817 30 40 FFEB O=C1c2cccc3cccc(c23)C(=O)N1OS(=O)(=O)c1ccccc1 3056986 IZGZHGAANAVEBU-UHFFFAOYSA-N 353.355 2.756 30 40 FFEB Cc1cc(N/N=C\c2ccco2)nc(NS(=O)(=O)c2ccccc2)n1 4795138 ZGKGVLZXCAQZSN-BOPFTXTBSA-N 357.395 2.625 30 40 FFEB COc1ccccc1-c1n[nH]c(/N=C(\O)[C@H]2Cc3ccccc3C(=O)O2)n1 52778943 YLSLKNOYHJLVBU-OAHLLOKOSA-N 364.361 2.850 30 40 FFEB N#Cc1cccc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c1 23560059 LGIQIIYNIZANSP-LJQANCHMSA-N 353.397 2.501 30 40 FFEB COC(=O)c1cc(C#N)c(=O)n(Cc2csc(-c3ccccc3)n2)c1 25962910 SKFNSVGLESXKBU-UHFFFAOYSA-N 351.387 2.678 30 40 FFEB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(C#N)cc1 3249208 URDGRKJZONPFBC-NSHDSACASA-N 369.333 2.659 30 40 FFEB C/C(=N\N(Cc1ccccc1)Cc1ccccc1)c1c(C)[nH]c(=O)[nH]c1=O 10179307 HZJDMGPEFIQHFB-LFVJCYFKSA-N 362.433 2.798 30 40 FFEB C=CCN1C(=O)N/C(=C/c2cc(OC)c(OC)cc2Br)C1=O 409125353 NDIMNEYWULUDOL-IZZDOVSWSA-N 367.199 2.545 30 40 FFEB N#Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3nccs3)C2)c1 48355129 BDQQULLANOQCLW-ZDUSSCGKSA-N 355.423 2.897 30 40 FFEB CC(=O)c1cccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)c1 408739634 DMHWPPZXRDHNLO-YODDIOPGSA-N 365.414 2.656 30 40 FFEB COc1cc(C#N)ccc1OCC(=O)N[C@H](C)c1ccc2c(c1)OCO2 5629924 KFKBYHGPJYVWDW-GFCCVEGCSA-N 354.362 2.552 30 40 FFEB COC[C@@](C)(O)CNC(=O)c1ccccc1Sc1ccccc1C#N 72304500 PQIOTZDVQIITJQ-IBGZPJMESA-N 356.447 2.837 30 40 FFEB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)CO)cc1 218376810 UXFDVQWDMPUCPL-VAMGGRTRSA-N 355.459 2.999 30 40 FFEB N#Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1 5636322 NPNLWZAYRGOTSC-UHFFFAOYSA-N 355.419 2.595 30 40 FFEB C#CCOc1ccc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)cc1 12122156 HRHWGMKTAAFERH-UHFFFAOYSA-N 372.428 2.815 30 40 FFEB N#Cc1cccc(NCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1 21365195 CHJXXEVQGSJVRK-UHFFFAOYSA-N 362.433 2.523 30 40 FFEB N#C[C@H](C(=O)NCc1ccco1)C(=O)c1ccc(OC(F)(F)F)cc1 103259590 VJPLETHLFOODRX-ZDUSSCGKSA-N 352.268 2.817 30 40 FFEB CCc1ccc(/C=N/NS(=O)(=O)c2ccc(NC(C)=O)cc2)s1 1009042 PHIKGLKGPVCVDX-MHWRWJLKSA-N 351.453 2.581 30 40 FFEB N#Cc1c(F)cccc1NCCNC(=O)Cc1cnn(-c2ccccc2)c1 48287847 OBCLFJKOVQFXKK-UHFFFAOYSA-N 363.396 2.654 30 40 FFEB CCn1c(SCC(=O)NC2(C#N)CCCCC2)nc2ccccc2c1=O 6094111 XBGZOBXDKDYJHQ-UHFFFAOYSA-N 370.478 2.851 30 40 FFEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3ccc([N+](=O)[O-])cc3)cnc12 5099974 YWQDHFHSCVRQBD-AWQFTUOYSA-N 363.333 2.677 30 40 FFEB C/C(=N\NC(=S)[C@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 5215484 IXXRBARQCKUKDD-YZJQUUSSSA-N 370.430 2.959 30 40 FFEB C=CCn1c(C)cc(C(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1C 5709846 FIAMBLQLUBDBHM-UHFFFAOYSA-N 357.366 2.821 30 40 FFEB COC(=O)c1ccc2[nH]c3c(c2c1)CN(c1nnc(C)c(C)c1C#N)CC3 71801922 IVHWEQTXUVPYLO-UHFFFAOYSA-N 361.405 2.796 30 40 FFEB C#CCn1cc(/C=C2/SC(=O)N(CC(=O)OCC)C2=O)c2ccccc21 409049657 XPOFUIWREMNUHZ-MHWRWJLKSA-N 368.414 2.874 30 40 FFEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(F)cc3)[C@@]2(C#N)C(=O)O)cc1 218436787 FSORBNMCXYQMGS-XYJFISCASA-N 359.378 2.668 30 40 FFEB O=C1CCc2cc(S(=O)(=O)/N=C(\O)COC3CCCCC3)ccc2N1 48644389 GTRCTUXNCRUGPV-UHFFFAOYSA-N 366.439 2.566 30 40 FFEB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CNCc1ccccn1 12664331 BBNOGWGUFLDUNV-WHHPXKAQSA-N 356.466 2.698 30 40 FFEB biogenic C=CCN1CCc2cc(-c3cncn3[C@@H](C)CN3CCOCC3)ccc21 19719369 OQJFOQOMATVBOK-KRWDZBQOSA-N 352.482 2.992 30 40 FFEB CCCCc1ccc(N2/C(=N\C(C)=O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 12276981 BIJXVTPAEJMRHK-ILCIMCFISA-N 366.508 2.651 30 40 FFEB COc1ccc(S(=O)(=O)NC2CC2)cc1NCc1ccccc1C#N 40061246 PRSCZCOXKOCUPW-UHFFFAOYSA-N 357.435 2.620 30 40 FFEB COc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2c(C(N)=O)cnn21 40268075 NVUUYERFTKWAHQ-QGZVFWFLSA-N 366.421 2.649 30 40 FFEB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2ccc(C#N)cc2)nn1 32093460 CXIUNUHVZUVUTL-AWEZNQCLSA-N 360.377 2.975 30 40 FFEB COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2Cc2cccnc2)c(OC)c1 870977 QIGXONBHYZRFFT-SFHVURJKSA-N 368.389 2.583 30 40 FFEB COC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccc(C#N)cc1 8768057 AGKUEDSNGUORRU-OAHLLOKOSA-N 370.405 2.631 30 40 FFEB COC(=O)c1nn(-c2ccc(F)cc2)c(=O)c(C#N)c1/C=C/c1ccco1 1403564 WIDCPRQMAFGZIL-CMDGGOBGSA-N 365.320 2.793 30 40 FFEB N#Cc1nc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)[nH]c1C#N 58218257 PWCQGSASHPQGJE-WDEREUQCSA-N 356.183 2.658 30 40 FFEB CC(=O)C1=C(O)C(=O)N(CCCCCC(=O)O)[C@@H]1c1ccc(N(C)C)cc1 18084110 QRCYMJBYBYHVRY-GOSISDBHSA-N 374.437 2.682 30 40 FFEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(CC)cc1 5249672 OSYCDDDZJMNXHL-WTIYMYMHSA-N 366.508 2.651 30 40 FFEB COc1ccccc1OCCOc1ccc(/C=N/n2cnnc2)cc1OC 4602216 DSNZIZSPZSCFBP-WSDLNYQXSA-N 368.393 2.635 30 40 FFEB COc1ccc(C[C@@H]2SC(N/N=C/c3ccccc3O)=NC2=O)cc1 18209446 UFVSIGBVCBLHLF-ZVCOJXFSSA-N 355.419 2.565 30 40 FFEB Cc1ccc(F)cc1/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCO2 84177590 ZEBIKSFLIOIGPH-UHFFFAOYSA-N 351.355 2.599 30 40 FFEB C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3nc[nH]n3)c(=O)oc2c1 9341523 JMXXKTZAADQAKQ-UHFFFAOYSA-N 368.393 2.746 30 40 FFEB COc1ccc(C(=O)c2sc3nc(N)c(C#N)cc3c2N)cc1OC 19830991 AISXHDKCYIDRRN-UHFFFAOYSA-N 354.391 2.581 30 40 FFEB C=CCNS(=O)(=O)c1ccc(C(=O)N2CCn3cccc3[C@H]2CC)cc1 95426665 XQTYFHLKAUJCME-QGZVFWFLSA-N 373.478 2.560 30 40 FFEB COc1cc(/C=N/Cc2ccc(C(=O)O)cc2)ccc1O[C@@H](C)C(=O)O 409013748 VBEPTEVEIDAPQP-DQAKUKQTSA-N 357.362 2.864 30 40 FFEB C#CCN1CCCC[C@H]1C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 42713947 CLSFQZMANGTOAY-BEFAXECRSA-N 353.466 2.700 30 40 FFEB C=CCn1ncc(CN2CCc3nc4c(C)csc4c(=O)n3CC2)c1C 19240340 HPCUNGVWTBHCML-UHFFFAOYSA-N 369.494 2.516 30 40 FFEB C#CCn1/c(=N/C(=O)COc2ccccc2)sc2cc(OC)ccc21 100875910 VBDOHDBFEOSIFM-VXPUYCOJSA-N 352.415 2.851 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2cc(OC)ccc2OC)cc1 4901592 BTOQDLACFKKGTC-QGZVFWFLSA-N 369.373 2.578 30 40 FFEB COc1ccc(OC)c([C@H]2O[C@@]3(C)OC(=N)[C@](C#N)([C@H]3C)C2(C#N)C#N)c1 102718843 GFHRKJBJWRYYFO-JKIJHMCWSA-N 366.377 2.678 30 40 FFEB C[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1nc(-c2ccc(F)cc2)no1 58193507 PYHSLJFLPLXCMQ-NSHDSACASA-N 372.381 2.787 30 40 FFEB N#CCCCN1C(=O)[C@](O)([C@H]2CCc3ccccc3C2=O)c2ccccc21 2198282 SFBPWLLYUSEXOP-PGRDOPGGSA-N 360.413 2.970 30 40 FFEB N#CCCN(C(=O)COC(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 3517969 TZCDUCJUKXTXOA-UHFFFAOYSA-N 371.324 2.838 30 40 FFEB CCc1cc(N[C@H]2CCS(=O)(=O)C2)n2c(nc3ccccc32)c1C#N 5267767 FYVDTGNHCAFOMU-ZDUSSCGKSA-N 354.435 2.521 30 40 FFEB C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccc(N)cc1 4497999 ZVSRZFRPUJBQRQ-LICLKQGHSA-N 368.256 2.734 30 40 FFEB CN(C)/C=C(\C(=O)c1ccc(F)cc1F)c1nnnn1-c1ccccc1 4452645 VYGPEAILNMPSRC-RVDMUPIBSA-N 355.348 2.726 30 40 FFEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1CC 5516487 SXSZGCRYOKYGDB-QDASYUEBSA-N 366.508 2.651 30 40 FFEB N#CC1(NC(=O)COC(=O)c2ccc(-n3cccc3)cc2)CCCCC1 5703053 JOCAHJXIUZFYDV-UHFFFAOYSA-N 351.406 2.977 30 40 FFEB C=CCN1CCN([C@@H](c2ccccc2)c2nnnn2C2CCCC2)CC1 20121747 QCWHDQTURWDRRQ-IBGZPJMESA-N 352.486 2.681 30 40 FFEB CN(C(=O)COC(=O)c1ccc(Br)o1)C1(C#N)CCCCC1 9737600 BZJMDMXTODYJQP-UHFFFAOYSA-N 369.215 2.884 30 40 FFEB O=C(O)c1cccc(-n2cccc2/C=N/Nc2ccc([N+](=O)[O-])cn2)c1 409102471 ADXLBZBKIAJSHD-YBFXNURJSA-N 351.322 2.925 30 40 FFEB C=CCCc1ccccc1NC(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1 626555139 LVDDTORINZYEOM-OAHLLOKOSA-N 365.499 2.598 30 40 FFEB CCN(CC)C(=O)Nc1nn(-c2ccc(Cl)cc2)c(=O)c(C#N)c1C 5714984 IVMBDROMIQPJEW-UHFFFAOYSA-N 359.817 2.940 30 40 FFEB C=CCNC(=S)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OCC 5939109 CPQBGNYWAVZWCO-UHFFFAOYSA-N 371.528 2.588 30 40 FFEB COc1ccc(NC(=O)[C@@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1OC 4119712 SXIHYYRCAGGGOY-CRALRDPISA-N 372.343 2.752 30 40 FFEB Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2C#N)c(C)c1 3367975 UHEGKRFLJDPDSZ-UHFFFAOYSA-N 364.434 2.882 30 40 FFEB COC(=O)c1cc(NS(=O)(=O)c2cccc(C#N)c2)ccc1Cl 12914789 DUZIOKXFFVKDFN-UHFFFAOYSA-N 350.783 2.799 30 40 FFEB C=CCN1CCN([C@@H](CC(C)C)c2nnnn2Cc2cccs2)CC1 20141806 WIKIOCZHMBYZBL-KRWDZBQOSA-N 360.531 2.674 30 40 FFEB Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCN(c2ccccc2C#N)CC1 128437066 REPCVMLCYHNUQP-CQSZACIVSA-N 367.453 2.626 30 40 FFEB COc1cccc(C=Nn2c(O)nc3ccccc3c2=O)c1OC(C)C 409360597 QLFIVCBJHNZVEN-UHFFFAOYSA-N 353.378 2.780 30 40 FFEB COc1ccccc1-c1nnc(SCC(=O)NC2(C#N)CCCC2)n1C 5131138 WNQNCACBOJCNRM-UHFFFAOYSA-N 371.466 2.535 30 40 FFEB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)C(=O)O)cc1 218105246 WBWHPOVJCKOFNT-LNLFQRSKSA-N 371.414 2.538 30 40 FFEB CO[C@@H]1C=CC(=O)[C@](C)(c2ccc(S(=O)(=O)c3ccccc3)cc2)O1 1589064 BSMULYPUCAQMJS-OALUTQOASA-N 358.415 2.863 30 40 FFEB Cc1nc(-c2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccnn3C)c2)cs1 101821945 FVIVVRHYGPAPAN-CQSZACIVSA-N 365.418 2.813 30 40 FFEB C=CCn1c(C)nnc1SCC(=O)c1[nH]c(C)c(C(=O)OCC)c1C 6612876 JFXDJPXCNDHLIN-UHFFFAOYSA-N 362.455 2.869 30 40 FFEB CCOC(=O)c1cc(C)n(CC(=O)Nc2ccc(OCC#N)cc2)c1C 23789251 RPNULXXLWYMLKK-UHFFFAOYSA-N 355.394 2.823 30 40 FFEB N=C(N/N=C\c1cc(Cl)ccc1O)N/N=C\c1cc(Cl)ccc1O 104392481 IGWAWNDBEPRQQY-DWVBSFERSA-N 366.208 2.887 30 40 FFEB C=CCn1c(SCc2ccccc2C#N)nnc1[C@H]1CCS(=O)(=O)C1 12689643 MCBGYARFBJMYLS-HNNXBMFYSA-N 374.491 2.530 30 40 FFEB N#Cc1ccccc1OCc1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)o1 58178268 JZJAJDMRJQCERE-HNNXBMFYSA-N 351.406 2.697 30 40 FFEB Cc1cccc(C)c1-n1c(=O)c(C#N)cc2c(=O)n3cccc(C)c3nc21 6809454 QJZVNIGGAJBUCT-UHFFFAOYSA-N 356.385 2.796 30 40 FFEB N#Cc1ccccc1N1CCN(CC(=O)Nc2ccccc2Cl)CC1 32806369 QVHIUXGDPNCJTA-UHFFFAOYSA-N 354.841 2.972 30 40 FFEB N#Cc1ccccc1Cn1c(=O)nc2n1C(=O)N(c1ccc(Cl)cc1)C2 40287049 WILMFEJAWHCJLI-UHFFFAOYSA-N 365.780 2.606 30 40 FFEB Cn1ccnc1[C@@H](/N=C(/O)C1CCN(CC(F)F)CC1)C1CCOCC1 329202075 VWDWBYYOXNJTFT-INIZCTEOSA-N 370.444 2.821 30 40 FFEB CC1(C)OB(C2=CCN(C(=O)N[C@H]3CCO[C@H]3C3CC3)CC2)OC1(C)C 1776007632 QJNKGNXHFSWIPO-HOTGVXAUSA-N 362.279 2.527 30 40 FFEB Cc1onc(CC(=O)N2CCC(n3c(C)nc4ccccc43)CC2)c1C#N 619450661 LVUUHGNGXHLCQR-UHFFFAOYSA-N 363.421 2.919 30 40 FFEB O=C(/N=C1/NCCS1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 46115261 LNAUVTBTRQFYDX-GFCCVEGCSA-N 372.277 2.817 30 40 FFEB Cc1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)ncc(C#N)c2=O)cc1 49006180 XICXNFNHILQFGB-UHFFFAOYSA-N 362.364 2.868 30 40 FFEB CCNC(=O)c1ccc(Cl)cc1NCC(=O)N[C@](C)(C#N)C(C)C 55874478 JZNWBPYWIRRJKN-QGZVFWFLSA-N 350.850 2.556 30 40 FFEB Cc1ccc(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)o1 25161215 GLRBIOCENAKKKX-UHFFFAOYSA-N 367.384 2.729 30 40 FFEB C=CCn1c(S[C@@H](C(N)=O)c2ccccc2)nc2ccsc2c1=O 10783468 WXWPMHOUFYGBBP-CYBMUJFWSA-N 357.460 2.963 30 40 FFEB CC(C)CS/C(=N\N=C1\C(=O)Nc2ccccc21)NC[C@@H]1CCCO1 13128606 YLJJWSQWSRFBCF-ZDUSSCGKSA-N 360.483 2.857 30 40 FFEB COc1ccc(/C=C2\Oc3c(ccc(OS(C)(=O)=O)c3C)C2=O)cc1 13540539 UODCNOSEMORCMW-YBEGLDIGSA-N 360.387 2.958 30 40 FFEB CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(Cl)cc1 4844432 BDOACWCXQZMMID-MRXNPFEDSA-N 359.813 2.911 30 40 FFEB CCNC(=O)Nc1c[nH]nc1[C@H]1CCCN(c2cccc(F)c2C#N)C1 95999528 QZQCKWDYIIPZHT-LBPRGKRZSA-N 356.405 2.946 30 40 FFEB O=C(Cn1cc(/C=N\c2ccc(O)cc2)c2ccccc21)N1CCOCC1 408846491 KCQXSWVBFVPMAN-XKZIYDEJSA-N 363.417 2.956 30 40 FFEB C[C@H](C(=O)Nc1ncc(Cc2c(F)cccc2F)s1)n1cnc(C#N)n1 1131266364 ANUCWKRBMRUQTI-SECBINFHSA-N 374.376 2.675 30 40 FFEB C#CCN1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 42713949 CLSFQZMANGTOAY-HNAYVOBHSA-N 353.466 2.700 30 40 FFEB C=CCn1c(N2CCN(CC)CC2)nc2sc3c(c2c1=O)CCCC3 12322955 XBSWJKOTHZZUAV-UHFFFAOYSA-N 358.511 2.665 30 40 FFEB C[C@H]1CCCC[C@@H]1NC(=O)CN1C(=O)CS/C1=C\C(=O)C(C)(C)C 28915610 JCIRXHGMDKZXCS-KDQYPKSJSA-N 352.500 2.713 30 40 FFEB Cc1ccc(OCCN(C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1 25699668 UHKCOLQTRAHTLD-LJQANCHMSA-N 354.450 2.812 30 40 FFEB O=C(O/N=C1/C(=O)N(C(=O)c2ccco2)c2ccccc21)c1ccco1 4680360 RYXYUHJAVWKCQX-XDJHFCHBSA-N 350.286 2.621 30 40 FFEB C=CCNC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409025279 PBGAKBNCYLDGJH-OAHLLOKOSA-N 374.462 2.936 30 40 FFEB O=C(O)c1ccc(-n2cccc2/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1 409248599 LLKXROMPVIPZHH-YBFXNURJSA-N 351.322 2.925 30 40 FFEB NC(=O)Cn1cc(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc21 409386689 WRRHATZYHBMCMX-YDZHTSKRSA-N 362.433 2.714 30 40 FFEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 8008121 OLMQWKFNRRIFCU-NRFANRHFSA-N 365.433 2.935 30 40 FFEB C=CCN1CCC[C@]12CCCN(S(=O)(=O)c1ccc(F)c(F)c1)C2 96214839 QYBBADBQYSFHGW-QGZVFWFLSA-N 356.438 2.770 30 40 FFEB CC(C)(C)N1C(=O)CS[C@@H](C(=O)NC2CC2)[C@H]1c1cccc(C#N)c1 952964517 DWLWSRKLHPJNLG-IAGOWNOFSA-N 357.479 2.620 30 40 FFEB CCN(CC)C[C@H](C(=O)Nc1c(C)cccc1C)/C(C)=N/N=C(/N)S 5807632 XHWUYFYYKFGRCQ-HBBMIWKISA-N 363.531 2.820 30 40 FFEB COc1cc(N/C(N)=N\c2nc(-c3ccccc3)cc(=O)[nH]2)cc(OC)c1 20028233 HHZPHNRAVFZBEF-UHFFFAOYSA-N 365.393 2.512 30 40 FFEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2ccc(F)cc2)nc1 6786463 AKDBDVUIEKKCJH-YBFXNURJSA-N 350.419 2.697 30 40 FFEB C=CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 4094120 YWPUCGCACQQFOQ-VBKFSLOCSA-N 350.374 2.721 30 40 FFEB CCn1c2ccccc2c2cc(Nc3c(C#N)c(=O)n(C)c(=O)n3C)ccc21 14205642 JDGBCNVMBUHTFP-UHFFFAOYSA-N 373.416 2.827 30 40 FFEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cc3c(cc1Cl)OCO3)[C@H]1C=C[C@H]2CC1 408728173 IRZOYDNAYWDVLX-DJKHUFBLSA-N 358.781 2.600 30 40 FFEB C=CCN1CCN([C@H](c2ccccc2)c2nnnn2C2CCCC2)CC1 20121749 QCWHDQTURWDRRQ-LJQANCHMSA-N 352.486 2.681 30 40 FFEB C=CCn1c(SCC(=O)NC2CCC(C)CC2)nc2ncccc2c1=O 31614690 WHJVPDORRNJWHF-UHFFFAOYSA-N 372.494 2.765 30 40 FFEB O=C(O)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1F 102869433 RGRAKIIAMYJXFU-GROYHEBESA-N 369.348 2.722 30 40 FFEB CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)NCc2ccc(C#N)cc2)C1 56404968 RQEUFSSLVBGWMQ-INIZCTEOSA-N 358.442 2.757 30 40 FFEB Cn1nc([N+](=O)[O-])c([C@H](C#N)c2nc3ccccc3s2)c(Cl)c1=O 3251786 LRNCMXFAZDNGFN-ZETCQYMHSA-N 361.770 2.607 30 40 FFEB Cc1nc(C2(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)CCCCC2)no1 12920135 PBWFDRORULLVMN-ZDUSSCGKSA-N 354.410 2.993 30 40 FFEB COc1ccc(S(=O)(=O)/N=C(\O)[C@@H](C)NC(=O)OC(C)(C)C)cc1C 65655330 UHUANYPRPWAZQC-LLVKDONJSA-N 372.443 2.562 30 40 FFEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccccc1 6787091 AJUROQXBJKEADA-GROYHEBESA-N 354.406 2.653 30 40 FFEB CCOC(=O)c1cc(C#N)c(SCC(=O)N2CCCCCC2)nc1C 7149699 NIPLYIKXPWWXGN-UHFFFAOYSA-N 361.467 2.933 30 40 FFEB Cc1c(/C=C2/CCn3c2nc2cc(C(=O)O)ccc2c3=O)cc(C#N)n1C 96792816 DNRMDENCLIRUCU-GHXNOFRVSA-N 360.373 2.558 30 40 FFEB C#CCCNC(=O)NCC1(c2cc(Cl)ccc2OC)CCOCC1 72282444 YOILIKQEDPDKAM-UHFFFAOYSA-N 350.846 2.719 30 40 FFEB C=CCO[C@@H]1C=CC=C[C@@H]1[C@H](c1c(O)n[nH]c1C)c1c(C)nn(C)c1O 408920903 LOPNJSJKWJYGLS-JJRVBVJISA-N 356.426 2.617 30 40 FFEB CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224834397 WNGMTPZKRLXSES-UHFFFAOYSA-N 358.419 2.739 30 40 FFEB C=CCOc1cccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1 225375537 YDKJHYQFBIFEOP-UHFFFAOYSA-N 374.462 2.652 30 40 FFEB CC1(C)OB(c2ccc(-c3ncn([C@@H]4CCCCO4)n3)cc2)OC1(C)C 642882486 CQOWFWIYBQWCSE-INIZCTEOSA-N 355.247 2.943 30 40 FFEB Cc1ccc(-c2n[nH]c(/N=C(\O)c3cccc(S(C)(=O)=O)c3)n2)s1 58244735 QKQAFEQXNZAALJ-UHFFFAOYSA-N 362.436 2.881 30 40 FFEB CN1C(=O)N(c2ccccc2)[C@@H](/[N+]([O-])=C/c2ccc3nonc3c2)C1(C)C 2425834 OGEHXVNDVJTEML-NSTHGIQOSA-N 365.393 2.829 30 40 FFEB CC(=O)N1CCc2c(sc(NC(=O)Cc3ccc(F)cc3)c2C#N)C1 5268408 UANDEHJFFUWYAT-UHFFFAOYSA-N 357.410 2.845 30 40 FFEB Cc1cc(C)c(C#N)c(OC(=O)c2ccc(S(C)(=O)=O)cc2Cl)n1 1388260 MMGYSHNYTDHJND-UHFFFAOYSA-N 364.810 2.846 30 40 FFEB CCOC(=O)Oc1ccc(/C=N/n2c(S)nnc2CC)cc1OC 408867949 MWDBXLLCCRHOKQ-CXUHLZMHSA-N 350.400 2.555 30 40 FFEB CNC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O 4699855 BWYROBSTQRJQGT-XOMICKMZSA-N 353.447 2.954 30 40 FFEB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)O[C@H](C)C#N)cc2)cc1 5683413 ORVAOBXPCOZXDI-CQSZACIVSA-N 358.419 2.889 30 40 FFEB N#Cc1ccccc1CN(CCN1CCCS1(=O)=O)c1cccc(F)c1 72311953 MRGIANMTOIHLTB-UHFFFAOYSA-N 373.453 2.739 30 40 FFEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(N2CCCCC2)o1 408728513 NTWCDEIBPRWXLK-SBUOAMTPSA-N 353.422 2.801 30 40 FFEB C#C[C@H](Cc1ccccc1)OC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 95444250 NQYROHFVTMTSMW-VQTJNVASSA-N 362.429 2.722 30 40 FFEB Cn1cnc(CN2CCC[C@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)c1 585294976 XAISUMQKCDGJGD-SFHVURJKSA-N 360.425 2.557 30 40 FFEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1c(C)cccc1CC 16741118 ZZKLTXOGZYBTEF-IKZORZIJSA-N 366.508 2.569 30 40 FFEB C=CCc1cc(CN2C[C@@H]3CCCN3C[C@@H]2CCO)cc(OC)c1OCC 19531353 FTBHHPMJRYIYEZ-PMACEKPBSA-N 374.525 2.853 30 40 FFEB Cc1nn(C)c(Cl)c1/C=C/C(=O)O/N=C(\N)c1ccc(Cl)cc1 4284820 KVCAGFZDISRVLS-BQYQJAHWSA-N 353.209 2.912 30 40 FFEB C=CCN1C(=O)CCC12CCC(NC(=O)Cc1ccc(OC)c(F)c1)CC2 2055819383 ZJOIGKMUMDXXBR-UHFFFAOYSA-N 374.456 2.983 30 40 FFEB CCO/C(O)=N/c1nnc(SCC(=O)NCc2ccccc2)s1 32891708 SOGKZASNPRCKCD-UHFFFAOYSA-N 352.441 2.529 30 40 FFEB Cc1ccc(OCCOCCOc2ccccc2/C=N/n2cnnc2)cc1 2888162 ZJSAMVCEYJDYCQ-OEAKJJBVSA-N 366.421 2.943 30 40 FFEB CCOC(=O)/C(=N\Nc1sc2c(c1C(=O)OCC)CCCC2)C(C)=O 977795 KSUMQUCXGNUEKT-JXAWBTAJSA-N 366.439 2.724 30 40 FFEB CCOC(=O)N1CCC(C(=O)Oc2c(Cl)cc(C#N)cc2OC)CC1 24042948 UMFLCHOXIATDAV-UHFFFAOYSA-N 366.801 2.994 30 40 FFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc2c(s1)CN(C)CC2 24152579 WCTCUFRXOYOJLJ-UHFFFAOYSA-N 367.434 2.947 30 40 FFEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)cc(C)c1 101309326 ZHRHMSXBYWSJRA-UICBKRPASA-N 366.508 2.705 30 40 FFEB N#Cc1ccccc1OCC(=O)NCC1(c2ccc(F)cc2)CCOCC1 55454852 MTIJIDPECOHNBB-UHFFFAOYSA-N 368.408 2.941 30 40 FFEB C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(-n2ccnc2)cc1 12530460 PYXHMXWCZPYHQG-AWEZNQCLSA-N 352.419 2.783 30 40 FFEB CC[C@@H](C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCOCC1 2396445 HOCJTNGVHSXZMD-HUUCEWRRSA-N 368.437 2.663 30 40 FFEB Cc1ccccc1/C=N/Nc1nc(N2CCCC2)nc(N2CCCC2)n1 4178757 NWDXQLUDMWXCIK-XSFVSMFZSA-N 351.458 2.826 30 40 FFEB O=C1/C(=C/c2ccccc2F)Oc2c1ccc(O)c2CN1CCOCC1 4339700 CLEDBYBGMDKNGH-WQRHYEAKSA-N 355.365 2.980 30 40 FFEB C=CCN1C(=O)[C@@](O)(CC(=O)c2cc(OC)ccc2OC)c2ccccc21 4317839 XZYKVUPXJMWXBW-OAQYLSRUSA-N 367.401 2.697 30 40 FFEB O=C(NC(N1CCCC1=O)(C(F)(F)F)C(F)(F)F)c1ccccc1F 4857349 MSMFPKPXBMDETA-UHFFFAOYSA-N 372.240 2.999 30 40 FFEB C=CCO[C@@H]1C=CC=C[C@@H]1[C@@H](c1c(O)n[nH]c1C)c1c(C)nn(C)c1O 408920904 LOPNJSJKWJYGLS-VBQJREDUSA-N 356.426 2.617 30 40 FFEB N#Cc1nccnc1N1CCC(CNC(=O)c2ccc(F)cc2Cl)CC1 206602285 DYHKJCIZHJKYNU-UHFFFAOYSA-N 373.819 2.787 30 40 FFEB C=CCNc1oc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1C#N 12421183 BLEHQJXXOQCCNJ-UHFFFAOYSA-N 358.423 2.596 30 40 FFEB O=C(NCC#Cc1ccccc1)NCc1ccccc1CN1CCCC1=O 32802823 DRCMYTWMWGKFAN-UHFFFAOYSA-N 361.445 2.660 30 40 FFEB N#CCCCOc1cccc(NC(=O)C2CCN(C(=O)C3CC3)CC2)c1 55568289 KWBPARRRKPPZIK-UHFFFAOYSA-N 355.438 2.956 30 40 FFEB CC(C)N(Cc1ccccc1)C(=O)COC(=O)COc1ccc(C#N)cc1 3318954 BHYBPDRYOSJCLQ-UHFFFAOYSA-N 366.417 2.917 30 40 FFEB COc1ccc(CC(=O)/C=C2\NCCc3cc4c(cc32)OCO4)c(OC)c1 4090571 IRQYHEHKFYPJFS-NVMNQCDNSA-N 367.401 2.731 30 40 FFEB biogenic C=CCN1C(=O)S/C(=C/c2ccc(O[C@H](C)C(=O)O)c(OC)c2)C1=O 13880886 PBJVLEXIMBLPKH-GMROUXNLSA-N 363.391 2.769 30 40 FFEB O=C1Nc2ccccc2/C1=N\NC(=S)NC12CC3CC(CC(C3)C1)C2 4660230 HFOHZPJDIGAYMV-UHFFFAOYSA-N 354.479 2.776 30 40 FFEB Cc1nn(Cc2ccc(C#N)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 7025408 HCBZUFABHVMRLS-UHFFFAOYSA-N 372.494 2.841 30 40 FFEB O=c1c(/C=N/CCO)c(-c2ccccc2)[nH]n1-c1nc2ccccc2s1 18244369 KOTAUGLXQGCOTO-UDWIEESQSA-N 364.430 2.854 30 40 FFEB N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 49634690 CHLFDBRLTCKMET-SFHVURJKSA-N 350.378 2.617 30 40 FFEB N#Cc1cc(S(=O)(=O)Nc2cnn(Cc3cccnc3)c2)ccc1Cl 67890769 UNLUIQCKNCRHEC-UHFFFAOYSA-N 373.825 2.652 30 40 FFEB CCCN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(C#N)cc1 25654686 GCTYIOIBWBAOCO-MRXNPFEDSA-N 372.446 2.799 30 40 FFEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 19902895 YVLGHJZAWABXNK-SFHVURJKSA-N 368.408 2.966 30 40 FFEB COc1ccc(N/N=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1Cl 103429593 FEJFSRVGRNITOP-HYARGMPZSA-N 372.768 2.977 30 40 FFEB C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CCOc2cccc(C#N)c2)C1=O 47354333 JWESGHIJIUDRPI-IBGZPJMESA-N 371.343 2.682 30 40 FFEB CCN(CC(=O)NC(C)(C)C)C(=O)c1c(C)oc(-n2cccc2)c1C#N 9153932 TUMJSYDKZTXIFO-UHFFFAOYSA-N 356.426 2.627 30 40 FFEB Cc1ccc(-c2nnc(S)n2CC(=O)NCC#Cc2ccccc2)cc1 12763274 IUFNZMBJAACPKZ-UHFFFAOYSA-N 362.458 2.710 30 40 FFEB O=C(C[n+]1cn(/N=C/c2cccc(Br)c2)cn1)c1ccccc1 69701190 PYCNJJRPSVOKTD-VXLYETTFSA-N 370.230 2.698 30 40 FFEB COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C#N)cc1 5505026 JMJNSEOUAZKZFO-GOSISDBHSA-N 362.389 2.833 30 40 FFEB N/C(=N/Cc1csc2ccccc12)N1CCN(c2nccs2)CC1 95948332 HAQPQXQNQWMDEZ-UHFFFAOYSA-N 357.508 2.995 30 40 FFEB COC(=O)COc1ccccc1/C=N/n1c(S)nnc1-c1ccccc1 409056319 COKLCLBGPNLGFB-YBFXNURJSA-N 368.418 2.668 30 40 FFEB CCN(CCC#N)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 72312214 NMXOCGBHEVQWLZ-UHFFFAOYSA-N 351.306 2.628 30 40 FFEB C=CCS/C(N)=N\N=C\c1cc(Br)cc([N+](=O)[O-])c1O 13638709 SLHJHSKSGYFSFY-MKMNVTDBSA-N 359.205 2.631 30 40 FFEB COc1ccc(COCc2nn(C)c(C)c2B2OC(C)(C)C(C)(C)O2)cc1 1857776014 MOKZLNVPSPAZJM-UHFFFAOYSA-N 372.274 2.753 30 40 FFEB COc1ccc(NS(=O)(=O)c2ccc(/N=C/c3ccco3)cc2)nn1 100364342 GZLBNBKSYGJKLI-GZTJUZNOSA-N 358.379 2.630 30 40 FFEB C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1nc2ccccc2n1CCC 41146217 OQINPGJEWFPLMC-INIZCTEOSA-N 354.410 2.803 30 40 FFEB COc1ccc(-c2ccc(/C=N/n3c(C)nnc3S)o2)c([N+](=O)[O-])c1 6523599 MHKOFVOTUFNXMQ-LZYBPNLTSA-N 359.367 2.934 30 40 FFEB O=C1C=C/C(=N\S(=O)(=O)c2ccc(Cl)cc2)C=C1Br 101416892 FWDSHJPFVAVWIK-OQLLNIDSSA-N 360.616 2.887 30 40 FFEB O=C(O)C[C@@H]1S/C(=N/N=C\c2ccco2)N(c2ccc(F)cc2)C1=O 9189564 QLQPMTNUNYPAMW-FACYZAEOSA-N 361.354 2.732 30 40 FFEB Cc1ccc(C)c(S(=O)(=O)N/N=C/c2c(C)nc3scc(C)n23)c1 23219801 NQUILCVAGITMHV-CAOOACKPSA-N 362.480 2.942 30 40 FFEB CCOc1ccccc1/C(O)=N/S(=O)(=O)Cc1ccc(Cl)nc1 58152959 BGSKXEYCMIGPOC-UHFFFAOYSA-N 354.815 2.968 30 40 FFEB Cc1nc(NC(=O)c2ccc(-n3ccnc3)nc2)sc1SCC#N 48363465 NTLICHUUDXHQTA-UHFFFAOYSA-N 356.436 2.900 30 40 FFEB CC(C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 5376907 PPEPWAIYOHHOIV-OJVXUPTESA-N 372.899 2.597 30 40 FFEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(F)cc1 5445189 WHQPQRKVIJWIAD-SELCWUDQSA-N 368.408 2.809 30 40 FFEB C=CCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 8705381 WARAMAIXZXRPAJ-UHFFFAOYSA-N 360.435 2.511 30 40 FFEB C=CCOc1ccccc1CN1C(=O)/C(=N\O)c2cc([N+](=O)[O-])ccc21 46084749 POPJVYDDDAMSCV-ZPHPHTNESA-N 353.334 2.885 30 40 FFEB CC(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)o1 622981466 YYUSZNDTQNJKGF-UHFFFAOYSA-N 357.391 2.572 30 40 FFEB CC(C)n1cc([C@H]2OCC[C@@H]2NC(=O)NCc2ccc(C#N)c(F)c2)cn1 1615556377 VQYADEPPBKMDNE-ZWKOTPCHSA-N 371.416 2.804 30 40 FFEB C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O 574749017 CUJWYVTXDRLSOF-QRQLOZEOSA-N 371.481 2.805 30 40 FFEB Cc1nc(COc2ccccc2/C=C/C(=O)N2CCOC[C@H]2C#N)cs1 78879077 KFFLBFVUYYJPSN-DKRLNXSXSA-N 369.446 2.795 30 40 FFEB Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)c(C)o1 48051739 VPEFJNAKUHSMOB-UHFFFAOYSA-N 352.394 2.758 30 40 FFEB Cc1c(C#N)c(NC(=O)CSc2nccn2C)n(C[C@H]2CCCO2)c1C 8458707 CUSHUTZBNXSMOO-CQSZACIVSA-N 373.482 2.620 30 40 FFEB CCOC(=O)c1ccc(/N=C2\S/C(=C/C(=O)OC)C(=O)N2C2CC2)cc1 4699801 LYEPXFCIVVWELG-FKBPFZLZSA-N 374.418 2.646 30 40 FFEB CC(C)c1n[nH]c(/N=C(\O)CCN2C(=O)C[C@](C)(c3ccccc3)C2=O)n1 72405694 IXFRGIAMYBDFGU-LJQANCHMSA-N 369.425 2.623 30 40 FFEB C[C@H](Nc1nc2c(cc1C#N)CCCC2)c1cccc(S(N)(=O)=O)c1 95349012 OAGASYNRPOJSOA-LBPRGKRZSA-N 356.451 2.653 30 40 FFEB O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1cccc(Br)c1 169690749 VOZDCUJQJWMUDR-PIQZMFROSA-N 359.223 2.980 30 40 FFEB COc1ccccc1C(=O)Nc1sc2c(c1C#N)CCN(C(C)=O)C2 4275215 KEAXDZUMXOVABZ-UHFFFAOYSA-N 355.419 2.785 30 40 FFEB C=C(C)CN(CC)C(=O)CSc1nc(=O)cc(O)n1C1CCCC1 104378794 UFNIOWSGNVHEET-UHFFFAOYSA-N 351.472 2.581 30 40 FFEB C[C@@H]1C(=O)N(CCOc2cccc(C#N)c2)C(=O)N1c1ccc(F)cc1 47349469 IGKHKGZRGQJMHT-CYBMUJFWSA-N 353.353 2.933 30 40 FFEB CCCc1nc(C#N)c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)o1 26841706 JDICLHKCIWYFFF-UHFFFAOYSA-N 354.410 2.550 30 40 FFEB COC(=O)c1sc(NC(=O)c2cc(OC)cc(OC)c2)c(C#N)c1C 4537770 VMNAORHHOMDXMY-UHFFFAOYSA-N 360.391 2.984 30 40 FFEB C[C@H]1CN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@H]23)C[C@@H](C)O1 20111338 ADDHZWLTSYXUMP-LAXRUJBYSA-N 363.498 2.621 30 40 FFEB COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)Nc1ccc(C#N)cc1 5939449 BKUIVAGYITUJIU-GFCCVEGCSA-N 352.394 2.964 30 40 FFEB CCC(=O)/N=C1/NC(=O)/C(=C/c2ccc(OC)c(OC(=O)CC)c2)S1 17150111 UYBDZZGTMLMPPH-LCYFTJDESA-N 362.407 2.507 30 40 FFEB Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 29888498 DINBMUTUVCWQMX-UHFFFAOYSA-N 367.409 2.844 30 40 FFEB C[C@H](C#N)OC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 3337480 IVRHUWIWIPPKKU-LLVKDONJSA-N 356.831 2.583 30 40 FFEB N#CCCN(C(=O)Cn1nc(-c2cccs2)oc1=O)c1ccc(F)cc1 12971229 ICEJKRJFZINSRS-UHFFFAOYSA-N 372.381 2.651 30 40 FFEB O=C(C[C@@H]1S/C(=N\C2CCCC2)NC1=O)NCc1ccc(Cl)cc1 8513824 JKFWBRCRANAVGW-AWEZNQCLSA-N 365.886 2.877 30 40 FFEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1C 5516229 DLUWRMPUTQEMSV-RGHHBTPQSA-N 372.899 2.660 30 40 FFEB N#Cc1ccc(NC(=O)Cn2nnc(-c3cccc(F)c3)n2)cc1Cl 6850344 CSIHTJLNEPWGSN-UHFFFAOYSA-N 356.748 2.643 30 40 FFEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccccc2N2CCOCC2)c1O 32115267 RVKBTJHEVWQMFF-XDHOZWIPSA-N 357.366 2.896 30 40 FFEB CN(C)/C=C(\C(=O)C(Cl)(Cl)Cl)c1nnnn1-c1ccccc1 5197552 IVBYHWGGWHZRTM-CSKARUKUSA-N 360.632 2.504 30 40 FFEB C=CCOc1ccc(C(=O)N2CCC3(CC2)C[C@H](N(C)C)CCO3)cc1 1614938767 GJQZWGYVMMPXPD-GOSISDBHSA-N 358.482 2.967 30 40 FFEB Cc1ccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2CCCN(C)C)o1 104228745 UXGLPOUZYDPUOZ-IBOXJLQUSA-N 358.394 2.554 30 40 FFEB N#C[C@@H](/C(=N\NC(N)=S)C(=O)Nc1cccc(Cl)c1)c1ccccc1 104280094 KSMVUWUHXZQXOA-CVZTXRPJSA-N 371.853 2.775 30 40 FFEB C=C(C)CN(CC)C(=O)c1cccc(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)c1 58216093 AOFFSPCPJXMSHS-ZWKOTPCHSA-N 367.449 2.685 30 40 FFEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(N2CCCC2)c(F)c1 409347959 PEGRBRDJVORFKQ-UHFFFAOYSA-N 352.369 2.724 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)NCCC1CCCCC1 408709931 ZQUXRFLHDYXJGC-UHFFFAOYSA-N 357.454 2.628 30 40 FFEB CC(=O)N1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C#N)C1 4275173 XLNNCWZKMPBLHC-UHFFFAOYSA-N 370.390 2.685 30 40 FFEB C(=N/Nc1nnnn1-c1cccc2ccccc12)\c1ccc2c(c1)OCO2 4380215 VTDCSKXQEUULRF-RGVLZGJSSA-N 358.361 2.990 30 40 FFEB COc1cc(/C=N/c2ccc3c(c2)n(C)c(=O)n3C)ccc1OC(C)=O 17993471 ZXUCIQYWBHIIME-RGVLZGJSSA-N 353.378 2.562 30 40 FFEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccccc1F 102877624 ARMFINHJIRAUQD-IBOXJLQUSA-N 359.353 2.877 30 40 FFEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@H]2c2ccc(OC)cc2)cc1 103522514 XCLAWXHLGMEDIK-HVESIFNPSA-N 353.374 2.755 30 40 FFEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)N1CCN(Cc3cnn(CC)c3)CC1)C2 100730976 RRVTWMHLIZYARK-NQIIRXRSSA-N 356.514 2.930 30 40 FFEB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1cccc(C#N)c1 26326248 XULMBDGAUHNZSO-OAHLLOKOSA-N 362.433 2.754 30 40 FFEB COc1ccc(C(=O)/C=C/c2ccc3c(c2)OCCO3)cc1CC(=O)O 13066823 VJYHOJGSQCWNFL-GORDUTHDSA-N 354.358 2.990 30 40 FFEB Cc1cc(C)nc(/N=C2\NCCN2C(=S)Nc2ccc(C)c(C)c2)n1 18153548 CIESSXOCCMAQRH-UHFFFAOYSA-N 354.483 3.000 30 40 FFEB CCNC(=S)N/N=C/c1ccc(OCCOc2cccc(OC)c2)cc1 4576279 NZZOKWNKHXHDLA-KGENOOAVSA-N 373.478 2.971 30 40 FFEB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cn(CC#N)c3ccccc23)C1=O 409072174 MGHBHDSDGLHZKU-BTAWCLGRSA-N 369.402 2.763 30 40 FFEB CC(=O)c1ccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 408741504 QBZZGMHLGWRLCX-MBTVCVBTSA-N 365.414 2.656 30 40 FFEB CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)cc1 32504558 AOXKYAADJHMDHQ-LQBMZVQASA-N 366.508 2.643 30 40 FFEB COC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 218154177 NIVOSQLITCKFAG-GBESFXJTSA-N 371.414 2.511 30 40 FFEB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)CO)cc1 225653842 UXFDVQWDMPUCPL-UFYCRDLUSA-N 355.459 2.999 30 40 FFEB CN(C)c1nc(N2CCCC2)nc2c1CN(Cc1cccc(C#N)c1)CC2 96253970 WVYSCXCUKVNKLS-UHFFFAOYSA-N 362.481 2.573 30 40 FFEB Cc1cccnc1CN1CCC[C@H]1c1c[nH]c(=Nc2ccc(C#N)nc2)cn1 585294691 UCKMSZNIUPOSJZ-FQEVSTJZSA-N 371.448 2.949 30 40 FFEB COC(=O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(F)c1 5445563 SUXICDVSLJNVOW-QGZVFWFLSA-N 369.348 2.577 30 40 FFEB COc1ccc(N/C=C2\C(=O)ON=C2c2ccccc2F)c([N+](=O)[O-])c1 101662118 UQCCXTMELNQJKH-XFXZXTDPSA-N 357.297 2.999 30 40 FFEB CCNC(=O)Cc1ccc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 25730215 NIXQTNMZKHZZDA-UHFFFAOYSA-N 370.840 2.941 30 40 FFEB Cc1nc(C/C(N)=N\OCC(=O)N2c3ccccc3CC[C@H]2C)cs1 65522948 SQBCOEIXSFDEBE-GFCCVEGCSA-N 358.467 2.651 30 40 FFEB C[C@](C#N)(NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N)C1CC1 5626655 LBBMKCPCPGZOQZ-OAHLLOKOSA-N 356.209 2.541 30 40 FFEB C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1F 5800239 HSZXRSVFPWWVTD-YVEFUNNKSA-N 355.365 2.785 30 40 FFEB C#C[C@@]1(O)CCCC[C@@H]1NCc1cc2c(cc1Br)OCO2 226097774 UUEZHLQJANLCBX-JKSUJKDBSA-N 352.228 2.574 30 40 FFEB CC1CCN([C@H](C/N=C(/O)N2CC[C@](F)(CO)C2)c2cccs2)CC1 328711673 RLFJDYWNAVUJDU-CRAIPNDOSA-N 369.506 2.841 30 40 FFEB CC1(C)OB(c2cccc(OCC(=O)NC3CCCCC3)c2)OC1(C)C 1772718392 DXKSXWLZUMICCD-UHFFFAOYSA-N 359.275 2.814 30 40 FFEB C=CCN1C(=O)/C(=C\c2c(OC)ccc3ccccc23)C(=O)NC1=S 15722712 LEDXWCGPBBGQOQ-PTNGSMBKSA-N 352.415 2.661 30 40 FFEB CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1cnn(-c2ccccc2)n1 209862776 KZSYSRZCIVLRLS-MFOYZWKCSA-N 356.451 2.799 30 40 FFEB C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1c(F)cccc1Cl)CC(=O)N2 4944267 GTBWTBVQZDPSIP-QMMMGPOBSA-N 363.801 2.762 30 40 FFEB C#CCOc1ccc(OC)cc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 6736024 IKZLWEFFGKBWGK-WOJGMQOQSA-N 370.321 2.970 30 40 FFEB N#Cc1ccsc1NC(=O)COC(=O)c1cncn1-c1ccc(F)cc1 12547823 JSJQOJRUDATDPQ-UHFFFAOYSA-N 370.365 2.740 30 40 FFEB CC/N=C1\S/C(=C\[C@@H]2C(=O)N(c3ccccc3)N=C2C)C(=O)N1CC 103843014 MFVOQCOOQDBMNY-QFKWWTCRSA-N 356.451 2.880 30 40 FFEB C#CCN(Cc1ccc(C)cc1)Cc1nnc2n(C)c(=O)c3ccccc3n12 58182868 IMIXUHNLOGOCSV-UHFFFAOYSA-N 371.444 2.525 30 40 FFEB CN(CC(=O)Nc1ccccc1Cl)CC(=O)NC1(C#N)CCCCC1 12916202 JHMHSURNFXOLJT-UHFFFAOYSA-N 362.861 2.553 30 40 FFEB CCCCS(=O)(=O)c1nnc(/N=C(\O)c2ccc([N+](=O)[O-])cc2)s1 17044912 KZBRIBCVZCYWFE-UHFFFAOYSA-N 370.412 2.656 30 40 FFEB COCCCN1C(=O)CS/C1=N\c1cnn(Cc2ccccc2F)c1 17074543 QROOGXKAWLLGMK-JZJYNLBNSA-N 362.430 2.670 30 40 FFEB Cc1cccc(-n2c(C)nnc2SCC(=O)NC2(C#N)CCCC2)c1 5360355 BKKSRYYQXKAQBW-UHFFFAOYSA-N 355.467 2.929 30 40 FFEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(F)c3)[C@@]2(C#N)C(=O)O)cc1 218441128 IJMPGUAVXGJYOI-SOLBZPMBSA-N 359.378 2.668 30 40 FFEB Cc1ccc(CN2C[C@H]3CN(C(=O)c4ccc(C#N)cc4)CCN3C2=O)cc1 96269095 IYGMAXSELWILNT-HXUWFJFHSA-N 374.444 2.629 30 40 FFEB biogenic,in-vitro CN1CCC[C@H](C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)C1 90730342 YDATXNBNWVAMJQ-AWEZNQCLSA-N 354.372 2.546 30 40 FFEB Cn1ccnc1CN1CCC[C@@H]1c1cccc(N=c2[nH]cc(C#N)s2)n1 585293798 MGHONALPUWXZEG-OAHLLOKOSA-N 365.466 2.646 30 40 FFEB CN/C(S)=N/N=C\c1cc(Br)c(O)c(Br)c1 12374322 NTJVOTHXYGNFPK-PQMHYQBVSA-N 367.066 2.756 30 40 FFEB CCCCCCCCC(=O)c1c(OC)oc(/C=N/NC(N)=S)cc1=O 1766838 JSXMWMDEGVWBGJ-YBFXNURJSA-N 367.471 2.749 30 40 FFEB C=CCOc1ccccc1/C=C1/SC(=O)N(CN2CCOCC2)C1=O 20036458 CKARSPKMFOOIPT-FOWTUZBSSA-N 360.435 2.577 30 40 FFEB CN(Cc1cccc(C#N)c1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] 30522517 YITSFGJCTRFLGB-UHFFFAOYSA-N 350.378 2.995 30 40 FFEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccccn4)[C@H]3[C@H]3O[C@@]132 100777544 HBHDWNFMXMZZLP-OIIJNKDNSA-N 356.466 2.697 30 40 FFEB biogenic Cc1ccccc1N1/C(=N\C(=O)C(C)(C)C)S[C@H]2CS(=O)(=O)C[C@H]21 101311994 IIJHTVDNQDWORU-KRGDBVFUSA-N 366.508 2.643 30 40 FFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1 7538658 JNFUFYGMDSXPCX-KUHUBIRLSA-N 364.401 2.889 30 40 FFEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(O)cc1 103960870 LEXCUALCSLRXQM-GHNGSUTGSA-N 367.401 2.850 30 40 FFEB O=[N+]([O-])c1cc2c(cc1/C=N/n1c(-c3ccccn3)n[nH]c1=S)OCO2 12485498 HHUIEVIKOSGJDI-REZTVBANSA-N 370.350 2.522 30 40 FFEB CCN(CC)c1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1 3182094 VPRDFUOKBLSRAS-RCCKNPSSSA-N 359.495 2.842 30 40 FFEB COc1ccc(-c2[nH]c(N3CCc4ccccc4C3)nc(=O)c2C#N)cc1 3649591 DCULXMKGOUMBRY-UHFFFAOYSA-N 358.401 2.880 30 40 FFEB COC(=O)/N=C/c1c(NCc2ccccc2)nc2c(C)cccn2c1=O 13685615 WIFXGNNGEACWED-CIAFOILYSA-N 350.378 2.800 30 40 FFEB COc1ccccc1CNC(=O)/C=C/c1ccc(OCC#N)c(OC)c1 6288652 LXLAVSSPZMWHRS-CSKARUKUSA-N 352.390 2.936 30 40 FFEB COc1cccc(NS(=O)(=O)/N=C(\O)c2cn(C)c3ccccc23)c1 84459825 YGKCTCUPZZUTQF-UHFFFAOYSA-N 359.407 2.848 30 40 FFEB CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)ccc1OC 408729260 YTCMWXUODFBCAD-VDABXWBLSA-N 354.406 2.625 30 40 FFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@@]2(C#N)C(=O)O)cc1 218441201 IJMPGUAVXGJYOI-LZLYRXPVSA-N 359.378 2.668 30 40 FFEB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)C(=O)O)cc1 218357892 VSUFQRGPXVZPND-AOIWGVFYSA-N 355.415 2.838 30 40 FFEB Cc1ccc2ncn(CC(=O)N(CCC#N)c3ccccc3F)c(=O)c2c1 40127936 VMQRDHNOKNDADG-UHFFFAOYSA-N 364.380 2.791 30 40 FFEB CCOc1ccc(/C=N/n2cnnc2-n2nc(C)cc2C)c(OCC)c1 5953530 MJRJRLUWNZXHJM-RGVLZGJSSA-N 354.414 2.760 30 40 FFEB C[C@](C#N)(NC(=O)CNc1cc(Cl)ccc1C(=O)N1CCCC1)C1CC1 40135335 VBLKAJCSTIDKIL-LJQANCHMSA-N 374.872 2.796 30 40 FFEB COc1cccc(/C=N/n2c(N3CCOCC3)nc3ccccc32)c1OC 3186201 KERBBMYTFSWEBW-KGENOOAVSA-N 366.421 2.772 30 40 FFEB N#Cc1ccccc1NC(=O)CN1CCC(C(=O)O)(c2ccccc2)CC1 408546978 HZJAKZDOQFEWMM-UHFFFAOYSA-N 363.417 2.615 30 40 FFEB COc1cc([N+](=O)[O-])ccc1-n1c(N)c(C#N)c2nc3ccccc3nc21 5446730 XAVXFVOGSHBBGF-UHFFFAOYSA-N 360.333 2.944 30 40 FFEB C[C@@H](C(=O)N(C)C1(C#N)CCCCC1)N(C)CC(=O)Nc1ccc(F)cc1 8750588 UMLRRWMSUZATNT-HNNXBMFYSA-N 374.460 2.769 30 40 FFEB N#Cc1cccnc1N1C[C@@H]2CN(c3ncnc4cc(F)ccc34)C[C@H]2C1 2087045433 SNCDJKKWZODTDI-HUUCEWRRSA-N 360.396 2.608 30 40 FFEB Cc1cc[n+](CC(=O)CCc2ccc(C(=O)C[n+]3ccc(C)cc3)cc2)cc1 1559970 GXJIMXZNGIRFKA-UHFFFAOYSA-N 374.484 2.963 30 40 FFEB N#Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 7407958 GCUANZAVRXWYNA-UHFFFAOYSA-N 366.345 2.572 30 40 FFEB O=C(ON1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O)c1ccco1 103704501 IMUAEQNWNGAKJK-UHFFFAOYSA-N 352.258 2.709 30 40 FFEB N#Cc1cccc(NC(=O)C2CCN(Cc3nc(C4CC4)no3)CC2)c1 58227256 KLMNMFHOMNNLIJ-UHFFFAOYSA-N 351.410 2.669 30 40 FFEB COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C#N)cc1 5505025 JMJNSEOUAZKZFO-SFHVURJKSA-N 362.389 2.833 30 40 FFEB CN(CCC#N)C(=O)CSc1nnc(Nc2ccccc2F)s1 6788211 YVHZDUKQRNKAFT-UHFFFAOYSA-N 351.432 2.885 30 40 FFEB Cc1ccc(-n2c(=O)c(C#N)cc3c(=O)n4cc(C)ccc4nc32)c(C)c1 6809460 RMZUSOMRWOWZAI-UHFFFAOYSA-N 356.385 2.796 30 40 FFEB O=C(C[C@@H]1S/C(=N\Cc2ccco2)NC1=O)Nc1ccc(F)cc1F 7785086 ZWWOUUUJHVYEBQ-ZDUSSCGKSA-N 365.361 2.674 30 40 FFEB CC(C)Oc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c(O)c1 408586923 DBYUGWQZRAKSPL-HAGXJWPFSA-N 366.417 2.566 30 40 FFEB CCC/C=C\[C@H](O)[C@@H](COP(=O)(O)O)NC(=O)CCCCCCC 299888237 BDLMAKNUEZQMJE-IFCOSYQSSA-N 365.407 2.658 30 40 FFEB COc1cc2c(cc1OC)CN(CC(=O)Nc1cccc(C#N)c1)CC2 5350533 STTXPJDFCYFSFE-UHFFFAOYSA-N 351.406 2.572 30 40 FFEB CCC/N=C1/NC(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)S1 6888122 TUTZSGAMHUCZDW-LBPRGKRZSA-N 355.847 2.675 30 40 FFEB CCc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)cc1 26725848 OMRHWZUIKNMCJH-UHFFFAOYSA-N 364.405 2.991 30 40 FFEB COc1cc(OC)c(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)cc1Cl 408589924 NMLZHXDVKLQSQV-LJMMMIJBSA-N 374.824 2.888 30 40 FFEB O/C(=N/C[C@@H]1CCCn2ccnc21)N1CCCN2c3ccccc3C[C@@H]2C1 329634936 XKWFRDMDQDUIGP-ZWKOTPCHSA-N 365.481 2.812 30 40 FFEB CN(C(=O)c1cc(Cl)cc(Cl)c1)C1CN(c2nccnc2C#N)C1 1775973660 MLQTVLVBZCWGEY-UHFFFAOYSA-N 362.220 2.616 30 40 FFEB C#CCOc1c(Cl)cc(/C=C2/NC(=S)N(CCC)C2=O)cc1OC 15255704 RVGOVKMAPHNPST-UKTHLTGXSA-N 364.854 2.828 30 40 FFEB COc1ccccc1OCC(=O)Nc1sc2c(c1C#N)CCN(C)C2 1225032 MUJMBSFCSYODPH-UHFFFAOYSA-N 357.435 2.634 30 40 FFEB COc1ccc(S(=O)(=O)NC2CC2)cc1NCc1ccc(C#N)cc1 36730964 ZVKBIQJCWSQAQZ-UHFFFAOYSA-N 357.435 2.620 30 40 FFEB C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)CCCC(C)C)c1 13003281 KLBZZOHVSSPDGX-HNNXBMFYSA-N 350.484 2.543 30 40 FFEB C=CCN(CC(=O)N[C@@H]1CCCC[C@H]1C)S(=O)(=O)c1ccc(C)cc1 13130949 OKVSQNMBWCFNNX-SJLPKXTDSA-N 364.511 2.867 30 40 FFEB O=c1c(/C=N/CCCO)c(C(F)(F)F)[nH]n1-c1nc2ccccc2s1 4476852 GJGACWWDMWMSPS-UFWORHAWSA-N 370.356 2.595 30 40 FFEB N#CC1(NC(=O)COC(=O)c2cc(O)c3ccccc3c2O)CCCCC1 4414262 YAOXUIRMNLBAGB-UHFFFAOYSA-N 368.389 2.750 30 40 FFEB COCCn1c(S[C@@H](C)C#N)nc2ccc(Br)cc2c1=O 7136913 JIZXTUQYLLFCJC-VIFPVBQESA-N 368.256 2.810 30 40 FFEB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc(C#N)cc1 7374197 DPJVSSOIHKNUCO-QUCCMNQESA-N 367.474 2.863 30 40 FFEB C[C@@]1(/N=C(/O)C2CCN(C(=O)COc3ccccc3)CC2)CCCOC1 329140552 FXTXADBGMBEXMZ-HXUWFJFHSA-N 360.454 2.830 30 40 FFEB CCN(CC)CC#CCOC(=O)[C@@](O)(c1ccccc1)c1cccs1 3642998 YDVLSGWXSXZBLZ-HXUWFJFHSA-N 357.475 2.872 30 40 FFEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1cccc(O)c1 103885155 MVYKHPCANMRMMA-GROYHEBESA-N 371.389 2.752 30 40 FFEB Cc1cc(C)cc(N(CC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)c1 20236799 JNLMHTKLECLYGQ-UHFFFAOYSA-N 371.462 2.774 30 40 FFEB Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)[nH]c(=O)n3C)cc1 44973934 HSWUJAXETNRDHS-HNNXBMFYSA-N 365.433 2.583 30 40 FFEB CCOc1cc(/C=N/NC(N)=S)ccc1OCc1ccccc1C#N 408976842 UGHOVHHALCYWNG-SRZZPIQSSA-N 354.435 2.703 30 40 FFEB CCOc1cc(/C=N/NC(=S)NC)ccc1OCCOc1ccccc1 4549786 RYAQPPUPCABKEJ-KGENOOAVSA-N 373.478 2.971 30 40 FFEB CCCc1cc(=O)[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1 9645423 YARPGMCVOVAWLP-UHFFFAOYSA-N 374.491 2.875 30 40 FFEB O=C1C=C[C@H]2[C@@H](S(=O)(=O)c3ccccc3)C[C@@H]1N2Cc1ccccc1 55236616 WNGVMMCXHOLEQG-BJLQDIEVSA-N 353.443 2.611 30 40 FFEB O=C1C=C[C@@H](Nc2ccccc2[N+](=O)[O-])[C@@H]1Nc1ccccc1[N+](=O)[O-] 5487631 AXTFFAGFVLSOTN-DYVFJYSZSA-N 354.322 2.903 30 40 FFEB COC1=CC(=O)C=C(C)[C@@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O 3132634 ISLYVROQSJYFAZ-QGZVFWFLSA-N 350.754 2.730 30 40 FFEB biogenic,in-vitro C=CCn1c(SCC(=O)NCCC)nc2c([nH]c3ccccc32)c1=O 5106713 LDWVHKIKIWNTOJ-UHFFFAOYSA-N 356.451 2.682 30 40 FFEB Cc1nc(N2CCC(Nc3nccnc3C#N)CC2)cc(C(F)(F)F)n1 575617644 VTUNMPZNNDWAQK-UHFFFAOYSA-N 363.347 2.546 30 40 FFEB COCCNC(=S)N/N=C/c1sc(Nc2ccccc2)nc1Cl 2658319 PRLICHOCQFSJMO-RQZCQDPDSA-N 369.903 2.985 30 40 FFEB COc1cc(Cl)c(/C=N/NS(=O)(=O)c2ccccc2)cc1OC 658066 PXHAZASZDONJMB-LICLKQGHSA-N 354.815 2.670 30 40 FFEB C=CCNC(=O)c1c(N)n(/N=C/c2ccccc2)c2nc3ccccc3nc12 2264931 FYZLCFYTIYONKL-ZMOGYAJESA-N 370.416 2.965 30 40 FFEB N#CCCN1CCN(C2=NC(=O)/C(=C/c3ccccc3Cl)S2)CC1 13388769 WPSPLZVZUIIAIT-QINSGFPZSA-N 360.870 2.842 30 40 FFEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 5516324 KPEQTZRZUOPQFM-TWWIOWFMSA-N 372.899 2.742 30 40 FFEB C=CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 223114046 YMDWWIRYGPDYSF-UHFFFAOYSA-N 360.435 2.511 30 40 FFEB C=CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)c(C)c1 224220756 COADXQASYGULFG-UHFFFAOYSA-N 374.462 2.745 30 40 FFEB N#CC1(NC(=O)COc2cccc(I)c2)CCCC1 21105687 PWHVLXSNHBJSRI-UHFFFAOYSA-N 370.190 2.623 30 40 FFEB C#CCNC(=O)c1ccccc1NS(=O)(=O)c1c(C)cc(C)cc1C 32751591 LIXUFVQZNVCYSF-UHFFFAOYSA-N 356.447 2.776 30 40 FFEB C[C@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)N(C)c1ccccc1 7564469 YSWCTTFQMQYMDD-AWEZNQCLSA-N 365.389 2.747 30 40 FFEB COc1ccc(/C=N/OCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1OC 107445660 SPACYFSIIMZRTO-ANHQIBFUSA-N 360.454 2.995 30 40 FFEB CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1cccc(F)c1 58232277 ALADYWLWNCTPIS-UHFFFAOYSA-N 363.396 2.954 30 40 FFEB Cc1ccc(NC(=O)N2CCN(C(=O)CSCC#N)CC2)cc1Cl 58226521 HFEDVSKSBLTPJF-UHFFFAOYSA-N 366.874 2.581 30 40 FFEB CC(C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl 5377328 KQTIDLDDQCRDPU-OJVXUPTESA-N 372.899 2.597 30 40 FFEB CSc1nc(O)c(C(=O)N2Cc3ccccc3OC[C@H]2C)cc1C#N 541133236 GYTCLQMPVMJGFA-LLVKDONJSA-N 355.419 2.804 30 40 FFEB N#C[C@]1(C(=O)O)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218055603 RSPDIOUVWQPMMV-VYDXJSESSA-N 361.806 2.874 30 40 FFEB N#C[C@]1(C(=O)O)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242649042 RSPDIOUVWQPMMV-INMHGKMJSA-N 361.806 2.874 30 40 FFEB Cc1cccc(NC(=O)[C@@H]2CC(=O)N=C(N/N=C\c3ccco3)S2)c1 5755548 PIYYFPYNWFVVPO-KPYNCUPYSA-N 356.407 2.538 30 40 FFEB C=CCN(C(=O)c1ccc(=O)n(C)n1)c1nc(-c2ccccc2)cs1 14169287 MZUUSXXKGCRACR-UHFFFAOYSA-N 352.419 2.737 30 40 FFEB N#Cc1cc(N2C[C@@H]3CN(c4ncccc4C(F)(F)F)C[C@H]3C2)ccn1 1888868544 AORLHCSTSIUJLH-CHWSQXEVSA-N 359.355 2.940 30 40 FFEB CC1(C)Cc2c(ccc3ccccc23)C2=C(C(=O)N3CCCC3)C(=O)C(=O)N21 2504131 RXGBUQBDVWZDMM-UHFFFAOYSA-N 374.440 2.919 30 40 FFEB COc1cc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3ncnn32)cc(OC)c1OC 9087069 NHOWQSUJEXBSLN-BMLIUANNSA-N 370.409 2.572 30 40 FFEB C#CCNS(=O)(=O)c1ccc(C(=O)Oc2ccc(Cl)cc2C)cc1 40079737 CWDDGRQQQCPKCY-UHFFFAOYSA-N 363.822 2.779 30 40 FFEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 102613826 OBAWDXJIPXEOCV-IBOXJLQUSA-N 368.345 2.655 30 40 FFEB N#C[C@H](/C(=N\NC(N)=S)C(=O)Nc1cccc(Cl)c1)c1ccccc1 104280099 KSMVUWUHXZQXOA-UGHXVNEISA-N 371.853 2.775 30 40 FFEB C#CCN1CCC(C(=O)N2CCN([C@@H](C)c3ccccc3Cl)CC2)CC1 58203372 UGPBBZSWZJNDLV-KRWDZBQOSA-N 373.928 2.890 30 40 FFEB C=CCn1c(SCCN2C(=O)c3ccccc3C2=O)nnc1C1CC1 12856944 NBXNMNKAJDHXQP-UHFFFAOYSA-N 354.435 2.730 30 40 FFEB C=CCNc1nc(C(=O)OCC(=O)NCCCc2ccccc2)cs1 3508768 AIBIBTJKZAVMCU-UHFFFAOYSA-N 359.451 2.647 30 40 FFEB C#CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 408819895 YWSRPBUQEJAHJG-QGOAFFKASA-N 374.396 2.982 30 40 FFEB N#Cc1c(NC(=O)c2ccc(-n3cnnn3)cc2)sc2c1CCCC2 5034664 YSNQJHOYHXIGOO-UHFFFAOYSA-N 350.407 2.727 30 40 FFEB Nc1ccc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1[N+](=O)[O-] 5173036 UWWVGQCRYVHOEC-UHFFFAOYSA-N 370.202 2.741 30 40 FFEB C[C@H]1C[C@H]2[C@@H]3CC[C@]4(OCC4=O)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]2(C)C=CC(=O)C=C12 118936675 UAELTFMDOIYQJQ-UURSJGAGSA-N 374.452 2.941 30 40 FFEB Cc1[nH]c(=O)c(C#N)c(C)c1CC/C(O)=N/c1nc(C(F)(F)F)c[nH]1 84005438 YVJGWORUDGDUKR-UHFFFAOYSA-N 353.304 2.826 30 40 FFEB Cc1ccc(C#N)cc1S(=O)(=O)N(C)c1cccc(CCC(=O)O)c1 95464679 MMZMMOQTCMLAAO-UHFFFAOYSA-N 358.419 2.709 30 40 FFEB N[C@@H](CCCCNOC(=O)Cc1ccccc1)C(=O)OCc1ccccc1 95754767 QZOGJHLWKHJDPK-IBGZPJMESA-N 370.449 2.518 30 40 FFEB C=CCN(C)S(=O)(=O)c1ccc(NCc2nc(-c3ccco3)no2)cc1 55863159 OBCUCDOFUYQRMS-UHFFFAOYSA-N 374.422 2.748 30 40 FFEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)C)cc1 101302496 ZRZODZDQTRQKGZ-WPIBOPBSSA-N 366.508 2.821 30 40 FFEB N#Cc1c(OCCN2CCOCC2)nc(-c2ccco2)c2c1CCCC2 20714241 KZESWMZOPIBFOI-UHFFFAOYSA-N 353.422 2.803 30 40 FFEB Cc1ccccc1N1/C(=N\C(=O)C(C)(C)C)S[C@H]2CS(=O)(=O)C[C@@H]21 101311996 IIJHTVDNQDWORU-HJUNTIBCSA-N 366.508 2.643 30 40 FFEB C=C(C)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 10975492 RCKSQFLCXNZEBI-UHFFFAOYSA-N 363.479 2.695 30 40 FFEB COc1ccc(/C=C/C(=O)c2ccc(OCC(=O)N(C)C)cc2)cc1O 6337466 UXLCBAYZZQUSGS-ONNFQVAWSA-N 355.390 2.764 30 40 FFEB C[C@@H](OC[C@@H]1CCCCO1)C(=O)N1CCCN(c2ccccc2C#N)CC1 65493994 BOQMJLYQHDGKAH-MJGOQNOKSA-N 371.481 2.571 30 40 FFEB Cc1nnc(=O)[nH]c1N/N=C/c1ccc(OCc2ccccc2F)cc1 4422720 CEBDULAZYWRHGQ-KEBDBYFISA-N 353.357 2.637 30 40 FFEB NC(=O)[C@@H]1CC(=O)N(Cc2cccs2)/C(=N/c2ccc(F)cc2)S1 4476094 FGPUJTFFHKKVBA-LAVFMPCWSA-N 363.439 2.894 30 40 FFEB C=CCOc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 7266518 BUARLRAEJFEREV-OAHLLOKOSA-N 367.449 2.809 30 40 FFEB N#Cc1c(NC(=O)CN2CSCC2=O)sc2c1-c1ccccc1CC2 95364850 ZFRPRSOYIABTJM-UHFFFAOYSA-N 369.471 2.857 30 40 FFEB C/N=C1/S/C(=C/c2ccc(I)cc2)C(=O)N1C 408929867 PBJLBZUMZPIYCT-ZZZNDOSKSA-N 358.204 2.823 30 40 FFEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccnc1 409302260 CLETUHRLGHTVDZ-UHFFFAOYSA-N 357.211 2.999 30 40 FFEB Cc1nnc(/N=C(\O)CN2CC(c3nc(-c4cccs4)no3)C2)s1 49484613 CXQZLPRBLUFZGE-UHFFFAOYSA-N 362.440 2.645 30 40 FFEB N#C[C@]1(CO)COCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 253614393 XLBGAJAZHCIDHP-ZDUSSCGKSA-N 368.277 2.811 30 40 FFEB O=[N+]([O-])c1ccc(NN=C2CN3CCN(C2)c2ccccc23)c([N+](=O)[O-])c1 5593899 WOOWYQDBGKSNNC-UHFFFAOYSA-N 368.353 2.611 30 40 FFEB N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@@H](C(N)=O)N2C=Cc3ccccc3[C@@H]21 16037472 HVCZTRFWMLVDJU-CEXWTWQISA-N 358.376 2.838 30 40 FFEB CN1C(=O)C[C@H](C(=O)O)S/C1=N/c1ccc(OC(F)(F)Cl)cc1 100092585 SNTDSRXXMBLHDI-OTIXUJTRSA-N 364.757 2.891 30 40 FFEB Cc1cccc(C)c1/N=C1\NN=C(c2ccc(O)c(C(N)=O)c2)CS1 12644916 XWFRKZGQTJBIBP-UHFFFAOYSA-N 354.435 2.836 30 40 FFEB N#CC1(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)CCCCCC1 36700361 NIMXZSINHIRFFU-UHFFFAOYSA-N 364.405 2.875 30 40 FFEB COc1cc(C#N)ccc1OCC(=O)Nc1ccccc1N1CCCC1=O 13001002 DYNFWFJECGISLQ-UHFFFAOYSA-N 365.389 2.711 30 40 FFEB CC(=O)Nc1ccc(C(=O)/C=C2\NCCc3cc4c(cc32)OCO4)cc1 4090511 HEVRWKUAYCTKCY-YVLHZVERSA-N 350.374 2.743 30 40 FFEB biogenic Oc1ccc(/C=N/Nc2ncnc3c2ncn3Cc2ccccc2)cc1O 5443411 FCDDGJOIBPAXKD-NUGSKGIGSA-N 360.377 2.732 30 40 FFEB CCOc1cc(C#N)ccc1OCC(=O)Nc1cccc2nsnc12 19079132 WGLAKDXUFBQFQY-UHFFFAOYSA-N 354.391 2.979 30 40 FFEB C=CCOC(=O)c1nnc2c(-c3ccc(F)cc3)c(COC)nn2c1C 40372731 FBAOYUYBIHCDMT-UHFFFAOYSA-N 356.357 2.728 30 40 FFEB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)C(=O)O)cc1 252516721 WBWHPOVJCKOFNT-ZHALLVOQSA-N 371.414 2.538 30 40 FFEB C=CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 13688662 ZNTRHNITSSNDOH-UHFFFAOYSA-N 374.462 2.819 30 40 FFEB Cc1cccc(C(=O)N2CCCC2)c1NS(=O)(=O)c1ccccc1C#N 40090975 GHELKVSRBJMAIH-UHFFFAOYSA-N 369.446 2.904 30 40 FFEB C=C(C)CN(CC)CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1 40161504 HBOQKPLUUHKYAP-GOSISDBHSA-N 357.454 2.756 30 40 FFEB CCOC(=O)COc1ccc(/C=N/NCc2ccccc2OC)cc1OC 20762954 SBAWLDQIHXLUEP-CIAFOILYSA-N 372.421 2.769 30 40 FFEB C=CCn1c(S[C@@H](C)C(=O)OC)nnc1[C@@H]1COc2ccccc2O1 11428503 UOEIHPZSKGIHTI-FZMZJTMJSA-N 361.423 2.630 30 40 FFEB C/C(=N\NC(=S)[C@H]1COc2ccccc2O1)[C@H]1COc2ccccc2O1 5215486 IXXRBARQCKUKDD-LNSJNNGNSA-N 370.430 2.959 30 40 FFEB COc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1Br 409362691 GDHKDUOVLJMABH-UHFFFAOYSA-N 374.194 2.755 30 40 FFEB Cc1ccc(N2CCC[C@H](/N=C(/O)N3CCCC[C@H]3c3cc[nH]n3)C2)nn1 329461863 SXGCWZQFSONLIR-RDJZCZTQSA-N 369.473 2.618 30 40 FFEB C=CCN1CCC2(CC1)C[C@@H](NC(=O)c1c[nH]cn1)c1ccccc1O2 96079807 JDGMIVGGUBWQIS-MRXNPFEDSA-N 352.438 2.684 30 40 FFEB COc1ccc(CCNC(=O)NCC#CCOc2ccccc2OC)cc1 90730192 ASOHERPWKUYXAK-UHFFFAOYSA-N 368.433 2.628 30 40 FFEB NC(=S)N/N=C\c1nc2c3cccnc3ccc2n1Cc1ccccc1 6080105 MKJZSJPUQVBQHG-JJFYIABZSA-N 360.446 2.800 30 40 FFEB C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1F 5800274 HSZXRSVFPWWVTD-SJKOYZFVSA-N 355.365 2.785 30 40 FFEB COc1ccccc1Oc1cc(-n2nc(SC)c(C#N)c2N)ncn1 632613 KCEVDPGHOYSBMH-UHFFFAOYSA-N 354.395 2.639 30 40 FFEB C[C@@H](C(=O)Nc1sccc1C#N)N1CCN(c2ccc(F)cc2)CC1 57407569 UTJNLWYHMLPYBL-ZDUSSCGKSA-N 358.442 2.908 30 40 FFEB Cc1nn(CC(=O)c2cc(C)n(CC(F)(F)F)c2C)c(=O)c(C#N)c1C 7442358 OVWMEAXXVVRAEP-UHFFFAOYSA-N 366.343 2.595 30 40 FFEB COc1cc(OC)cc(-c2nnc(SCc3ccc(C#N)cc3)n2N)c1 7782039 KIYZQSPQXWZXCP-UHFFFAOYSA-N 367.434 2.840 30 40 FFEB COc1ccccc1-n1nc(C(=O)O)c(/C=C/c2ccccc2)c(C#N)c1=O 409195859 RGNKJHWYNOGTAG-VAWYXSNFSA-N 373.368 2.981 30 40 FFEB O=C[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218187131 XFKTYRPAPSMLMI-COXVUDFISA-N 364.806 2.824 30 40 FFEB C=CCOc1ccc(NS(=O)(=O)Cc2ccc(C(=O)OC)cc2)cc1 44839072 RBBDNUVSOKJTBO-UHFFFAOYSA-N 361.419 2.980 30 40 FFEB C#CCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N(CC)CC 226279063 FGXYCGMFPCRIJK-UHFFFAOYSA-N 356.344 2.848 30 40 FFEB COc1ccccc1/C=N\N1CCN(/N=C\c2ccccc2OC)CC1 4990745 UQZOCFQZJNFZPY-BMJUYKDLSA-N 352.438 2.689 30 40 FFEB C=CCNC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 10356900 PWQLPECHJUNCHM-UHFFFAOYSA-N 362.426 2.708 30 40 FFEB COc1ccc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1N 2088031 ZCNBOBHUYUUGJN-UHFFFAOYSA-N 355.231 2.842 30 40 FFEB Cc1ccc(NC(=O)/C=N/OCC(=O)N2c3ccccc3C[C@H]2C)cc1 3285049 JUFJFNDEDWHZEL-VRCTWVPOSA-N 351.406 2.914 30 40 FFEB C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2ccc(F)cc2)CC1 58158074 GWSDRTJLJKHRDK-HNNXBMFYSA-N 352.413 2.847 30 40 FFEB C=CCNC(=O)CSc1nc2sc(CC)cc2c(=O)n1CCC 11064717 FZDDWVACFRGNKV-UHFFFAOYSA-N 351.497 2.825 30 40 FFEB CCc1ccccc1N(C(C)=O)c1nc(Cn2cnc(C#N)n2)cs1 12902708 GJGBURZETRKFJF-UHFFFAOYSA-N 352.423 2.902 30 40 FFEB Cc1nc2c3c(ncn2n1)OC1=C(C(=O)CC(C)(C)C1)[C@H]3c1cccnc1 5345268 FJZUAWMUENRECM-OAHLLOKOSA-N 361.405 2.995 30 40 FFEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CCOc2ccccc2F)C1=O 14242300 DIQKRDJWKXYUQC-LJQANCHMSA-N 353.353 2.543 30 40 FFEB C#CCn1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c2ccccc21 112265130 MAQJTHBQMNTUDO-NAMSLIHLSA-N 357.413 2.806 30 40 FFEB C[C@@](C#N)(NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N)C1CC1 5626656 LBBMKCPCPGZOQZ-HNNXBMFYSA-N 356.209 2.541 30 40 FFEB COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)Nc1ccc(C#N)cc1 5939446 BKUIVAGYITUJIU-LBPRGKRZSA-N 352.394 2.964 30 40 FFEB COc1cc(C)c(CN(C)S(=O)(=O)c2ccccc2C#N)cc1OC 7668108 IXLLYPGOPKXCIP-UHFFFAOYSA-N 360.435 2.705 30 40 FFEB Cc1c(C#N)c(NC(=O)COC(=O)C2CCC2)n(Cc2ccco2)c1C 20032050 LNKVCLWIRDZFSF-UHFFFAOYSA-N 355.394 2.900 30 40 FFEB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1sc3c(c1C#N)CCCC3)CS2 69086625 LQABPRWILCYERQ-PXAZEXFGSA-N 361.492 2.891 30 40 FFEB N#Cc1cccc(S(=O)(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1 22475613 XYFPKYYSEDPXKI-UHFFFAOYSA-N 364.430 2.913 30 40 FFEB O=C(O)c1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccccc32)cc1 223717920 SKTGTFGWLQBRBI-SILNSSARSA-N 353.403 2.663 30 40 FFEB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2ccc(F)cc2C#N)C1 548664821 ACFXQEWIIINFDA-SFHVURJKSA-N 358.442 2.700 30 40 FFEB COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@H](O)C3)c(F)c2)cc1 209527490 QBCRLDPMQHPGIM-KRWDZBQOSA-N 353.393 2.831 30 40 FFEB N#Cc1ccc(N2C[C@@H]3CCN(C(=O)c4ccccc4Cl)[C@@H]3C2)nc1 1040612042 WZJPAYLNTRQTNH-WMLDXEAASA-N 352.825 2.958 30 40 FFEB CCOC(=O)[C@@H](CNC(=O)CNc1ccc(C#N)cc1)Cc1ccccc1 58014593 RUFHINAGMIUCMM-GOSISDBHSA-N 365.433 2.508 30 40 FFEB O=S1(=O)N=C(N/N=C/c2ccc(Br)cc2)c2ccccc21 2121177 AIDQFPRNYHRGEM-CXUHLZMHSA-N 364.224 2.522 30 40 FFEB COc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2ccc(C)c(C)c2)C1=O 408537994 YFRUOJMEIKIDDD-OAHLLOKOSA-N 365.389 2.914 30 40 FFEB CC1(C)Cc2c(sc(NC(=O)C(=O)NCc3ccccc3)c2C#N)CO1 6754822 UBVPBQKTWHIMJU-UHFFFAOYSA-N 369.446 2.726 30 40 FFEB N#Cc1ccccc1CN1Cc2ccnn2C[C@H](CNc2ccccn2)C1 306125035 CFEPCFUUCFDRJB-QGZVFWFLSA-N 358.449 2.894 30 40 FFEB Cc1ccc(S(=O)(=O)NCC#CCN(C)Cc2ccccc2)c(C)c1 85470662 YQAKYTNVVAFDIT-UHFFFAOYSA-N 356.491 2.717 30 40 FFEB CCOc1ccc(S(=O)(=O)/N=C(\O)[C@@H]2CC(=O)Nc3ccccc32)cc1 48452303 BCRKEANKYYNGMG-OAHLLOKOSA-N 374.418 2.857 30 40 FFEB C[C@@H](C#N)Oc1ccc(CN2CCC(c3ccnn3CCO)CC2)cc1 92811182 UWKJIDRLVJBYEH-INIZCTEOSA-N 354.454 2.546 30 40 FFEB COc1ccc(C(=O)/C=C\N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 1547138064 ARSZJSLBICRBET-HXNUIPBLSA-N 350.418 2.673 30 40 FFEB C#CCNC(=O)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 12219312 ZRMFAADTYGEFES-UHFFFAOYSA-N 360.360 2.709 30 40 FFEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 19902896 YVLGHJZAWABXNK-GOSISDBHSA-N 368.408 2.966 30 40 FFEB N#C[C@@H](C(=O)COc1ccc2oc3c(c2c1)CCCC3)C(=O)NC1CC1 103504790 LXXDZRGCCLJCFZ-INIZCTEOSA-N 352.390 2.678 30 40 FFEB O=C(Nc1ccccc1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 35392526 NQNMWDYOGNYIIU-UHFFFAOYSA-N 358.423 2.801 30 40 FFEB Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1C1CC1 7235290 LUGRTQDZSYHKOI-UHFFFAOYSA-N 359.480 2.845 30 40 FFEB CCCC(=O)Nc1cccc(NCC(=O)N(CCC#N)CCC#N)c1C 75110895 VZXRCEHDCVMKSJ-UHFFFAOYSA-N 355.442 2.801 30 40 FFEB COc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccccc3Cl)C2=O)cc1 408528514 BLOMRSOHNKQZOF-CYBMUJFWSA-N 371.780 2.950 30 40 FFEB N#C[C@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 218607631 YSUXMOJVPFRMHW-HRCADAONSA-N 350.802 2.640 30 40 FFEB COc1nccnc1N(C)CC1CCN(Cc2cccc(C#N)c2)CC1 1775975878 PFXDZZYSNUXOKC-UHFFFAOYSA-N 351.454 2.705 30 40 FFEB Cc1ncn(CC2CCN(c3nc4c(cc3C#N)CCC4)CC2)c(=O)c1C 585631709 NQCGJYGCPXQOFX-UHFFFAOYSA-N 363.465 2.532 30 40 FFEB C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[C@@H](C#N)C(=O)c1nccn1C 101735944 FHDFQSHFHWOGLF-GHMZBOCLSA-N 365.311 2.798 30 40 FFEB COc1cc(C)ccc1OCC(=O)O[C@@H](C)C(=O)Nc1sccc1C#N 24068662 NVSHATFBVIJYNB-LBPRGKRZSA-N 374.418 2.886 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1/N=C/c1ccc(Br)cc1)C31CC1 100562850 QMTDZAVNWVAJSX-DBZNJLBHSA-N 371.234 2.980 30 40 FFEB COc1ccc(OC)c(/C=C2/Oc3cc(OCC(=O)O)ccc3C2=O)c1 2136528 HYEAJWVKPRJCBG-CAOOACKPSA-N 356.330 2.783 30 40 FFEB COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1C[C@@H](C)C[C@H](C)C1 12808099 OTBPOSDEPPIZPW-GJZGRUSLSA-N 360.502 2.930 30 40 FFEB N#CCn1cc(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc21 39369651 OEYXJXRIRMJPFM-WQRHYEAKSA-N 356.410 2.935 30 40 FFEB CC[C@@H](O/N=C/C(=O)Nc1cccc(C)c1C)C(=O)Nc1cc(C)on1 16339355 IVEGJJKHGAQIHG-GDXCHIGESA-N 358.398 2.958 30 40 FFEB CCn1nnnc1SCC(=O)Nc1ccccc1S[C@@H](C)CC#N 95953374 QEZSWDWXGULKCZ-NSHDSACASA-N 362.484 2.818 30 40 FFEB C=CCn1c2cc(C)sc2c2cnn(CC(=O)N3CCCC3)c(=O)c21 12113499 VBPLSNUJACCZJG-UHFFFAOYSA-N 356.451 2.530 30 40 FFEB CC(C)Cc1nc(N2CCN(C(=O)C(C)C)CC2)c(C#N)c2c1CCC2 20171671 FEELDFWFVOLQLB-UHFFFAOYSA-N 354.498 2.945 30 40 FFEB COc1c2c(c(C(=O)/C=C/c3cccn3C)c3c1OCO3)CCN(C)C2 20112876 LAQCMTRFWGAUTH-VOTSOKGWSA-N 354.406 2.646 30 40 FFEB biogenic N#Cc1ccc(CN2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 23752684 IVWAAKDSDCVULI-UHFFFAOYSA-N 364.405 2.815 30 40 FFEB NC(=O)[C@H]1CC(=O)N(Cc2cccs2)/C(=N/c2ccc(F)cc2)S1 12468493 FGPUJTFFHKKVBA-KMJMQOOCSA-N 363.439 2.894 30 40 FFEB C=CCNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 22273938 XKAMNIULEZHTTE-UHFFFAOYSA-N 358.463 2.801 30 40 FFEB Cc1cc(C(=O)N2CCN(C(=O)Nc3cccc(C#N)c3)CC2)c(C)o1 48052702 ORRCIPNVKCRUFR-UHFFFAOYSA-N 352.394 2.758 30 40 FFEB N#Cc1c(-c2ccccc2)nc(SCc2cccc(C(N)=O)c2)[nH]c1=O 29170919 COVPTQBPGGJVKI-UHFFFAOYSA-N 362.414 2.700 30 40 FFEB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1cccc(C#N)c1 11557958 ZIZPQZRHWWLYQN-UHFFFAOYSA-N 374.326 2.813 30 40 FFEB C=CCN1C(=O)/C(=C/c2cc(C(C)C)c(OC)cc2C)C(=O)NC1=S 408902311 HHKBEEKOQZSDTK-XNTDXEJSSA-N 358.463 2.940 30 40 FFEB C=CCc1cc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc(OC)c1OC 8704991 ZVBQWWCPHZLZLB-UHFFFAOYSA-N 365.393 2.660 30 40 FFEB C#CCN1CCC(C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1 65512971 DASJMYKBNWMKJB-INIZCTEOSA-N 359.901 2.628 30 40 FFEB CC(C)CNC(=O)CN(c1ccccc1)S(=O)(=O)c1cccc(C#N)c1 14183741 GYOGVKXBXLJJHM-UHFFFAOYSA-N 371.462 2.526 30 40 FFEB C[C@H]1Oc2ccccc2N(CCC(=O)OCc2ccc(C#N)cc2)C1=O 16191428 JIUKZEWNUCXGHQ-CQSZACIVSA-N 350.374 2.806 30 40 FFEB C=CCOc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OCC 409403923 JMPRCGGAEPWFRQ-STEAMIEHSA-N 366.417 2.791 30 40 FFEB CCN(CC)c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 222319891 ZJFAFNLKQZZYEM-ZGYXWAKRSA-N 363.461 2.920 30 40 FFEB Cc1ncc(-c2ccccc2)cc1N=C(O)N1C[C@H]2[C@@H](C1)OCCN2C 328853595 WDMNOHNHMOILNM-RBUKOAKNSA-N 352.438 2.617 30 40 FFEB C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)Cc1ccc(OC)cc1)C2 96077098 DBVQSOVFEMODRN-NRFANRHFSA-N 356.466 2.797 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1cccc(OC)c1 102805556 KSSLRLCLWUVXLL-SELCWUDQSA-N 367.401 2.763 30 40 FFEB C=CCON1C(=O)[C@H]2[C@H](C1=O)[C@]1(Cl)C[C@]2(Cl)C(Cl)=C1Cl 104085537 OUJMQUZNSJGMOH-OHWVOJQTSA-N 357.020 2.767 30 40 FFEB N#Cc1cc(F)ccc1NC(=O)N[C@H](CN1CCOCC1)c1ccccc1 12927631 QAJFYGZMJQZPMG-LJQANCHMSA-N 368.412 2.892 30 40 FFEB COc1cccc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 14165535 YOTNADDTYZMWCQ-IBGZPJMESA-N 353.397 2.857 30 40 FFEB C=CCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 7266517 BUARLRAEJFEREV-HNNXBMFYSA-N 367.449 2.809 30 40 FFEB CCOc1ccc(/C=C2/SC(N3CCN(CCC#N)CC3)=NC2=O)cc1 20057544 HRIQWPMKEUCEOK-SAPNQHFASA-N 370.478 2.587 30 40 FFEB Cc1noc(C)c1C[C@H](C)NC(=O)N1CCN(c2ccccc2C#N)CC1 128437280 REPCVMLCYHNUQP-AWEZNQCLSA-N 367.453 2.626 30 40 FFEB C#CCN(C)Cc1nc(C2(O)CCN(Cc3ccc(F)cc3)CC2)cs1 225469555 LLWUHXXDVJXRST-UHFFFAOYSA-N 373.497 2.831 30 40 FFEB biogenic,in-vitro C/C(CC(O)(C/C(C)=N/O)C1CCN(C(=O)OC(C)(C)C)CC1)=N\O 601014396 JBXGXXBKCWQNES-KLCVKJMQSA-N 357.451 2.845 30 40 FFEB CCc1nc(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)co1 153102707 BTECBODAXYZHOH-UHFFFAOYSA-N 361.405 2.619 30 40 FFEB C=CCN1C(=O)[C@@H](CC)S/C1=N/S(=O)(=O)c1ccc(Cl)s1 4538179 KTBMDQWXWPVFHL-AQUFRFDZSA-N 364.901 2.986 30 40 FFEB N#Cc1c(NCCN2CCOCC2)nc(-c2ccco2)c2c1CCCC2 20573706 RSIKTRKGWZUBFC-UHFFFAOYSA-N 352.438 2.836 30 40 FFEB Cc1[nH]c(=O)nc(SCC(=O)N[C@@H](c2cccs2)C(C)C)c1C#N 32858422 NSXPNCDPFGOIIC-CQSZACIVSA-N 362.480 2.617 30 40 FFEB N#Cc1cccnc1NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 12986788 DYCPTUKZYSKIIN-UHFFFAOYSA-N 356.451 2.740 30 40 FFEB C#CCn1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c2ccccc21 409368547 BKCYUOYZNFSMQF-POPCPUAGSA-N 369.424 2.662 30 40 FFEB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2ccc(C#N)cc2)c1C 4329080 PQZWWURBIQTXGH-CYBMUJFWSA-N 353.378 2.890 30 40 FFEB O=C1C(Cl)=C(N2CCN(c3ccccn3)CC2)C(=O)c2ccccc21 18271135 PKYQQSMTTNJNAQ-UHFFFAOYSA-N 353.809 2.733 30 40 FFEB N#Cc1cnn2c(O)cc(CN3CCSC[C@H]3c3ccccc3)nc12 1652516530 XRRKIZZJXZINEJ-INIZCTEOSA-N 351.435 2.597 30 40 FFEB NC(=S)N/N=C1\CCCC[C@@H]1C(O)(C(F)(F)Cl)C(F)(F)Cl 17723564 AWCNYHYGKNOLOT-DEEYFDOXSA-N 370.199 2.760 30 40 FFEB N#Cc1ccc(N2C[C@@H]3CN(C(=O)Cn4ccc5ccccc54)C[C@H]3C2)nc1 1888914310 RXAIZYCLCIWEJY-RTBURBONSA-N 371.444 2.503 30 40 FFEB C=CCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2[N+](=O)[O-])SC1=S 1218948 XODLEJGIJLBUTJ-NTUHNPAUSA-N 366.420 2.999 30 40 FFEB C#Cc1cccc(NC(=O)N[C@H]2CCCN(c3ccccc3OC)C2=O)c1 72288015 XLGSKUDIUKOLGJ-KRWDZBQOSA-N 363.417 2.994 30 40 FFEB COc1cc(Cl)c(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)cc1OC 408586107 BIXJJNKIUYTGIO-LJMMMIJBSA-N 374.824 2.888 30 40 FFEB C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(c2nnc3ccccn23)CC1 67443026 AKFJMOOKHHWFHG-OAHLLOKOSA-N 374.448 2.808 30 40 FFEB CCN1/C(=C(/C)NC(=O)c2ccccc2)C(=O)c2ccccc2S1(=O)=O 9183861 AGDSRXRPAIBJTF-LGMDPLHJSA-N 370.430 2.555 30 40 FFEB COc1cccc(/C=N\NC(=S)Nc2ccccc2)c1O[C@H](C)C(=O)O 409237718 BJFJWVBHCWVKHG-ZDFPAGSVSA-N 373.434 2.868 30 40 FFEB N#Cc1ccc(CN2CC[C@H](NC(=O)c3cc(F)ccc3Cl)C2=O)cc1 506877924 XCKQLFHWYJLQMK-KRWDZBQOSA-N 371.799 2.882 30 40 FFEB N#CCCNC(=O)c1cc(-c2cnc(N3CCCC3)nc2)cn1CC1CC1 96037696 AVDMOEYMQZHJLN-UHFFFAOYSA-N 364.453 2.599 30 40 FFEB C=CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3c(c1)OCO3)C2 96039674 VWKRNTXDXNMMSX-QUCCMNQESA-N 359.422 2.629 30 40 FFEB CCNc1nc(NCC)nc(N/N=C/c2ccc(Br)cc2)n1 4193010 XMLCWQGHCCGGKQ-GIJQJNRQSA-N 364.251 2.944 30 40 FFEB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(C#N)cc2)cc1 6378417 WWYNRYWDQWEGHL-GOSISDBHSA-N 362.389 2.833 30 40 FFEB CC(C)(C)c1cn2nc(N3CCN(c4ccnc(C#N)c4)CC3)ccc2n1 1888890423 CRKUBVGPWPODAR-UHFFFAOYSA-N 361.453 2.620 30 40 FFEB C=CCN1CCO[C@@H]2CN(C(=O)c3cc(OC)ccc3Cl)CC[C@@H]2C1 1565550619 CPKGCQPJGICPQU-RDTXWAMCSA-N 364.873 2.698 30 40 FFEB CC1=CC(=O)/C(=C/Nc2ccc(I)cc2)C(=O)O1 100835271 CJTLGONKLCLHOQ-XFFZJAGNSA-N 355.131 2.617 30 40 FFEB COc1cc(OC)c(C2=CCN(C(=O)CSCC#N)CC2)c(OC)c1 32918959 DDRAOQDFNHOZDO-UHFFFAOYSA-N 362.451 2.585 30 40 FFEB O=C(CCNC(=O)c1ccco1)NCC#Cc1cccc(C(F)(F)F)c1 32900383 GBTQFUZSVJHAGA-UHFFFAOYSA-N 364.323 2.586 30 40 FFEB COC(=O)c1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1 3252720 UUHOVFLIVHHKDL-UHFFFAOYSA-N 365.414 2.800 30 40 FFEB COCC/N=C(/N)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 58112162 DOSFRVZAWVFDGV-UHFFFAOYSA-N 367.428 2.729 30 40 FFEB CC(=O)N1c2ccc(S(=O)(=O)Oc3ccccc3C#N)cc2C[C@H]1C 12968452 BNQJYSMENYKPPI-GFCCVEGCSA-N 356.403 2.623 30 40 FFEB COC(=O)C1=C(C(=O)c2ccco2)[C@H](c2ccccc2)N(C)C(=O)N1C 12900898 MUVRYXMDLDEKBG-HNNXBMFYSA-N 354.362 2.628 30 40 FFEB C[C@H]1CN(C)[C@H](C)C[C@]1(O)C#CCOc1ccc(Br)cc1 13540653 BZEJSCRBMDUORW-JJRVBVJISA-N 352.272 2.923 30 40 FFEB Cc1c(C#N)c(NC(=O)CN2CCCC[C@H]2C)n(C[C@@H]2CCCO2)c1C 8338718 DNIXNUVBBVJQOI-PBHICJAKSA-N 358.486 2.969 30 40 FFEB CN(C)c1ccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 408743031 YRVGRBMTXQXQBI-DORSJAEJSA-N 366.446 2.519 30 40 FFEB CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C 32506682 YAIUEQOOISCNKR-XMDRHCPOSA-N 366.508 2.643 30 40 FFEB C=CCOc1cccc(NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)c1 225771180 SUECAXOTNDVUBY-GOSISDBHSA-N 374.462 2.823 30 40 FFEB N#Cc1ccc(N[C@@H]2CCN(C3CCOCC3)C2=O)cc1C(F)(F)F 610479561 BYKHWFUEAXHFKQ-OAHLLOKOSA-N 353.344 2.769 30 40 FFEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1C 5516225 DLUWRMPUTQEMSV-TWWIOWFMSA-N 372.899 2.660 30 40 FFEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(N3CCOCC3)cc2)c1O 4750635 KQHDZRGPASOCHI-XDHOZWIPSA-N 357.366 2.896 30 40 FFEB COc1cccc([C@H]2O[C@]3(C)OC(=N)[C@]2(C#N)C(C#N)(C#N)[C@@H]3C)c1OC 100938802 HMNONSNRPYFUCY-RQPMFHSKSA-N 366.377 2.678 30 40 FFEB CC(=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 118933640 UJCIAYKVFFBSLE-AXSQLCHVSA-N 364.457 2.757 30 40 FFEB N#Cc1ccc(OCC(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)cc1 13172923 CKHKEZWJCCOQGP-INIZCTEOSA-N 358.781 2.923 30 40 FFEB C=CCNc1nnc(S[C@@H](C)C(=O)NC(=O)Nc2ccccc2)s1 9498505 GDHGZGRCIRBWHE-JTQLQIEISA-N 363.468 2.965 30 40 FFEB CCOc1ccc2nc(NCCNC(=O)c3cccnc3)c(C#N)cc2c1 35311792 KOOAXVXVXNTPRW-UHFFFAOYSA-N 361.405 2.742 30 40 FFEB COCc1nn2c(ncc3c(=O)n(CCS)ccc32)c1-c1ccccc1 40396376 KYOKBYDJGFLXQV-UHFFFAOYSA-N 366.446 2.787 30 40 FFEB N#Cc1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCC2 225747609 RYXMVXQAXNBIMW-NEBZKDRISA-N 360.435 2.705 30 40 FFEB Cc1cc(C)cc(OCC/N=C(/O)N2CCO[C@@](C)(c3cnn(C)c3)C2)c1 329954725 OMSSJABQESNWTK-HXUWFJFHSA-N 372.469 2.577 30 40 FFEB C[C@H](C(=O)ON1C(=O)CCC1=O)c1cccc(C(=O)c2ccccc2)c1 139398806 OMFLPBGGADISFE-ZDUSSCGKSA-N 351.358 2.628 30 40 FFEB C=CCSc1nnc(COc2ccc(=O)n(-c3ccccc3)n2)n1CC 5674664 JDZZUKXOZDESKG-UHFFFAOYSA-N 369.450 2.701 30 40 FFEB CCn1nnc2cc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3C#N)ccc21 5805167 IWOCBZINIUTUDI-LBPRGKRZSA-N 363.377 2.507 30 40 FFEB C=CCc1cc(CN2C[C@H]3CCCN3C[C@@H]2CCO)cc(OC)c1OCC 19531355 FTBHHPMJRYIYEZ-UXHICEINSA-N 374.525 2.853 30 40 FFEB C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3[C@](C)(CO)C=CC(=O)[C@@]3(C)[C@@H]1C2 514288137 QRLARCRZOSOGMO-APMGFHOFSA-N 360.450 2.925 30 40 FFEB biogenic,in-vitro CCCCc1ccc(N2/C(=N\C(C)=O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 100937019 BIJXVTPAEJMRHK-WHROQEIASA-N 366.508 2.651 30 40 FFEB Cc1cccc(C)c1N1/C(=N/C(=O)C(C)C)S[C@H]2CS(=O)(=O)C[C@@H]21 100937937 CTIYBHNXYCNETR-IKZORZIJSA-N 366.508 2.561 30 40 FFEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 104137254 RNCHUHNVDOWFHK-IBOXJLQUSA-N 368.345 2.655 30 40 FFEB Cc1ccc(C(=O)OCC(=O)N(C)Cc2cc(C#N)ccc2F)c(O)c1C 52115070 LSOARTFKTGFOLS-UHFFFAOYSA-N 370.380 2.835 30 40 FFEB N#C[C@@H]1CN(C(=O)NCCOc2ccccc2-c2ccccc2)CCO1 106335757 STICVOUKANWBOA-QGZVFWFLSA-N 351.406 2.666 30 40 FFEB N#Cc1ccc(CS(=O)(=O)NCCSCc2ccsc2)cc1 12887987 KQGLTPICQWGFKN-UHFFFAOYSA-N 352.506 2.973 30 40 FFEB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1/C=N/c1cccnc1 408741039 JNTFFYPUBLOQSI-PFHXIJNMSA-N 358.810 2.501 30 40 FFEB Cc1cc(S(=O)(=O)NCC#CCN2CCCC2)c(Cl)cc1Cl 75164726 HNFOUTFVBQEZOK-UHFFFAOYSA-N 361.294 2.679 30 40 FFEB C=CCOc1ccc(NC(=O)C2(C3(C(=O)N4CCOCC4)CC3)CC2)cc1 225926942 RAZONQXPSBGWHD-UHFFFAOYSA-N 370.449 2.609 30 40 FFEB C=CCN(Cc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc(Cl)cc1 14303629 MJEAVXKRWZXGET-UHFFFAOYSA-N 364.854 2.816 30 40 FFEB COc1nccnc1N(C)CC1CCN(Cc2ccc(C#N)cc2)CC1 1888860438 GIAYEUZQCSSQPD-UHFFFAOYSA-N 351.454 2.705 30 40 FFEB N#CCCNC(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O 31673073 QXXAZBQVSPELTE-UHFFFAOYSA-N 372.837 2.808 30 40 FFEB N#Cc1c(-c2ccccc2F)n2cnnc2n(Cc2ccccc2F)c1=O 4753501 HBQTWJSBKZFBKD-UHFFFAOYSA-N 363.327 2.756 30 40 FFEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OC)c(OC)c1)CC(=O)N2 4944346 UYQNBWWCAZOJSO-NSHDSACASA-N 373.434 2.539 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1ccccc1F 102799819 AULQLGJKZZRNII-UYTDBDHRSA-N 359.353 2.795 30 40 FFEB O=C(/N=C1/N=C2C=CC(Cl)=CN2Cc2ccccc21)c1cc[n+]([O-])cc1 103442677 UYLYVAOUHOXDJT-RELWKKBWSA-N 364.792 2.771 30 40 FFEB COC(=O)c1c(NC(=O)COc2ccccc2C#N)sc2c1CCC2 3290703 IZVWERBJCKCRFO-UHFFFAOYSA-N 356.403 2.913 30 40 FFEB CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1ncccc1C#N 59577461 WENRYQRIMKUFAQ-CQSZACIVSA-N 351.328 2.848 30 40 FFEB CC(=O)Nc1ccc(/C=C/C(O)=N/S(=O)(=O)c2cccc(C#N)c2)cc1 48599615 MULIGJIWHHNRMR-JXMROGBWSA-N 369.402 2.875 30 40 FFEB C#CCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)c2ccccn2)C=C1C 30881417 CQWZQQZKISLYHS-FHWLQOOXSA-N 367.493 2.806 30 40 FFEB biogenic,in-vitro N#CC1(c2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)CC1 225875043 DXPFRQBUZPHOFB-UHFFFAOYSA-N 359.385 2.867 30 40 FFEB CCn1c(=O)c(/C=N/c2ccc(C(=O)O)c(O)c2)c(O)c2ccccc21 6176655 ZBNOTMNAGJTFOU-KEBDBYFISA-N 352.346 2.881 30 40 FFEB NC(=O)c1cncc(C#CC2(NC(=O)[C@H]3CC=CCC3)CCCCC2)c1 12337531 ISGRUWWRVRTYSY-KRWDZBQOSA-N 351.450 2.707 30 40 FFEB Cc1cc(N2CCN(Cc3ccc(C#N)cc3)CC2)nc(N2CCCC2)n1 1889119485 XLMVUXLVFSPXRE-UHFFFAOYSA-N 362.481 2.579 30 40 FFEB CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 101317410 PPEPWAIYOHHOIV-LTUGMUNRSA-N 372.899 2.597 30 40 FFEB C[C@H](C(=O)N(CCC#N)c1ccccc1F)N1C(=O)c2ccccc2C1=O 3265609 VTHZSMKCLQOESU-CYBMUJFWSA-N 365.364 2.757 30 40 FFEB C=CCn1c(S[C@H](C)C(N)=O)nc2sc3c(c2c1=O)CC[C@@H](C)C3 3458731 JHKUSOFHGNGPNH-NXEZZACHSA-N 363.508 2.735 30 40 FFEB COc1cc(/C=C/c2nc(C#N)c(NCCN(C)C)o2)cc(OC)c1OC 8374226 NAZFAJPLHZKISR-VOTSOKGWSA-N 372.425 2.716 30 40 FFEB Cc1cc(C#N)ccc1S(=O)(=O)NC1CCN(c2ccccc2)CC1 77387015 RPSOOLSKKGMEJT-UHFFFAOYSA-N 355.463 2.814 30 40 FFEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)c(C)c1 32508254 VNAFUGIGPYXIDZ-NHYXNVPJSA-N 366.508 2.705 30 40 FFEB N#Cc1cccc(C(=O)N2CCC[C@@H](c3nnc(C(F)(F)F)o3)C2)c1 75165239 PDVUNPVEINEMMA-GFCCVEGCSA-N 350.300 2.980 30 40 FFEB C=CCOc1cccc(/C=C2\C(=O)N(CCOC)C(C)=C2C(=O)OCC)c1 75260695 UIWVOLLBFVQXKH-JXAWBTAJSA-N 371.433 2.961 30 40 FFEB COc1ccccc1-c1nc(C#N)c(N2CC[C@H](c3nc(C)no3)C2)o1 585152249 GNXKQVFCLCVDGZ-LBPRGKRZSA-N 351.366 2.907 30 40 FFEB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1cc([N+](=O)[O-])ccc1Cl 1529454203 GNGLISLAPJLWTP-AESFGFFXSA-N 371.780 2.635 30 40 FFEB Cc1cccc(C(=O)Oc2ccc(/C=N/NC3=NC(=O)CS3)cc2)c1 5619499 BHDGXWYWHJMCEQ-VXLYETTFSA-N 353.403 2.767 30 40 FFEB N#Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 5866871 PFQCCNTYVPSQQO-UHFFFAOYSA-N 369.446 2.985 30 40 FFEB N#Cc1ccccc1N1CCCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 53212133 BCNYCXYJZJBFAJ-UHFFFAOYSA-N 356.407 2.880 30 40 FFEB Cc1ccc([C@H](CNC(=O)Nc2ccc(CC#N)cc2)N2CCOCC2)o1 76084850 AUADWXIAOTZMOL-SFHVURJKSA-N 368.437 2.849 30 40 FFEB O=C(N/C=N/O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 3189802 SGNODDPQRZGBJQ-UHFFFAOYSA-N 360.210 2.716 30 40 FFEB C=CCN1C[C@H]2CN(C(=O)c3cnoc3C)CC[C@]2(c2ccccc2)C1 107260169 LHFQJSWEJIARBD-GHTZIAJQSA-N 351.450 2.885 30 40 FFEB C=CCNC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Cl 408701966 IGOQQEUHVQNGDC-UHFFFAOYSA-N 356.875 2.676 30 40 FFEB COc1ccc(/C=N/n2cnc3c([nH]c4ccc(F)cc43)c2=O)cc1OC 5252437 HMEVKZXRMXASEQ-LSFURLLWSA-N 366.352 2.916 30 40 FFEB N#Cc1cc([N+](=O)[O-])cn(Cc2csc(-c3ccc(F)cc3)n2)c1=O 14846287 PYASRCHBSUOZKC-UHFFFAOYSA-N 356.338 2.939 30 40 FFEB N#Cc1ccc(CS(=O)(=O)/N=C(O)/C=C/c2ccc3c(c2)CCO3)cc1 84403266 JUQOBCORONIAOT-SOFGYWHQSA-N 368.414 2.993 30 40 FFEB C=CCN1C(=O)N/C(=C\c2cc(Br)c(OC)c(OC)c2)C1=O 409140403 RQLAKHVHCIGLJA-XFFZJAGNSA-N 367.199 2.545 30 40 FFEB N#Cc1cccc(OCc2ccoc2C(=O)N2CCc3cncnc3C2)c1 95396042 WITHKZXULSCDBC-UHFFFAOYSA-N 360.373 2.719 30 40 FFEB COc1ccccc1-c1n[nH]c(/N=C(\O)C[C@H]2NC(=O)c3ccccc32)n1 95477918 MLKOMRDRIRTHOP-CQSZACIVSA-N 363.377 2.943 30 40 FFEB CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)cc1 36638597 AOXKYAADJHMDHQ-NRLKNGLESA-N 366.508 2.643 30 40 FFEB CC[C@]12OC(=N)[C@](C#N)([C@H]1C)C(C#N)(C#N)[C@H](c1cccc([N+](=O)[O-])c1)O2 5076590 IAGWJPOMLYEFDO-ASZQFPGMSA-N 365.349 2.960 30 40 FFEB COc1ccc(S(=O)(=O)N2CCC(C#N)(c3ccccc3)CC2)cc1 5527045 YOOAGTHLZAKPNY-UHFFFAOYSA-N 356.447 2.941 30 40 FFEB N#Cc1c(F)cccc1N1CCC(NS(=O)(=O)c2ccccc2)CC1 30771285 AQAOUWSXPNICMW-UHFFFAOYSA-N 359.426 2.645 30 40 FFEB C=CCO[C@H]1CCN(C(=O)Cc2ccc(F)cn2)[C@H]1Cc1cccnc1 1565544656 NJIODEORFKJOHH-OALUTQOASA-N 355.413 2.573 30 40 FFEB C=CCCO[C@H](C)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 60307024 AFNZMXVBONEXRS-OAHLLOKOSA-N 362.495 2.724 30 40 FFEB CCc1nc(C)c(C#N)c(SCC(=O)Nc2ccc3c(c2)OCCO3)n1 32754640 SLTWFUVVBXGLCA-UHFFFAOYSA-N 370.434 2.721 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1ccccc1F 102799823 AULQLGJKZZRNII-IBOXJLQUSA-N 359.353 2.795 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccc(OC)cc1 102874678 YOZUOXRHRDWWGD-IBOXJLQUSA-N 373.430 2.825 30 40 FFEB CC(C)C(=O)Nc1cccc(CNS(=O)(=O)c2cccc(C#N)c2)c1 24451624 SOYXSTDMCTVWST-UHFFFAOYSA-N 357.435 2.631 30 40 FFEB N#C[C@H](COC(=O)c1ccc(N2CCNC2=O)cc1)Cc1ccc(F)cc1 58393520 XGLMVJYNORIKIL-OAHLLOKOSA-N 367.380 2.895 30 40 FFEB COc1cccc(/C=N/O[C@@H](C)C(=O)NCc2ccc(F)cc2)c1OC 15392731 KIWVCTCDRZAFMB-AEOXGOBCSA-N 360.385 2.898 30 40 FFEB C=CCN(CC(=O)Nc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1F 9908619 XAZMCOZCMXAXPC-UHFFFAOYSA-N 373.409 2.513 30 40 FFEB Cc1ccc(N2C(=O)[C@@H](/C=N/OCc3ccccc3)C(=O)NC2=S)cc1 408767011 UTGWCJLWVMGTBP-YODDIOPGSA-N 367.430 2.562 30 40 FFEB N#Cc1nccnc1O[C@H]1CCCN(C(=O)NCc2ccc(Cl)cc2)C1 225488886 UHMYLSWCRGLVJL-HNNXBMFYSA-N 371.828 2.755 30 40 FFEB Cc1cc(C)c(S(=O)(=O)Nc2c(C#N)cnn2C2CCOCC2)s1 573318471 LKGYCHPRWKSLED-UHFFFAOYSA-N 366.468 2.585 30 40 FFEB CN1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](Cc2ccccc2)C1 593090470 XUPCGPZMZBUVPG-HXUWFJFHSA-N 373.460 2.967 30 40 FFEB CC(=O)Nc1ccc(C#CC2(NC(=O)c3cccnc3)CCCCC2)cn1 12144115 UJSSTVVCYFLSRB-UHFFFAOYSA-N 362.433 2.919 30 40 FFEB COC[C@H]1CCCN1C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12 4084942 REILRXPTAKYZGI-UJXCDSABSA-N 363.498 2.624 30 40 FFEB COC[C@H]1CCCN1C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12 4084946 REILRXPTAKYZGI-KJZYVHILSA-N 363.498 2.624 30 40 FFEB C=CC[C@H]1N(c2ccc(Cl)cc2)C(=O)[C@@H]2[C@@H](C(=O)OC)[C@@H]3C=C[C@]21O3 100617019 RQCWAQWAWPQZFH-ZHEXZJMTSA-N 359.809 2.744 30 40 FFEB O=C1/C(=C/c2cccc(F)c2)Oc2c1ccc(O)c2CN1CCOCC1 2348043 UEPFSGGLFCRBDW-WQRHYEAKSA-N 355.365 2.980 30 40 FFEB COc1ccc([C@H]2C3=C(Nc4[nH]c(N)nc(=O)c42)c2ccccc2C3=O)cc1 2431375 FALNPNWWOLJMAK-AWEZNQCLSA-N 372.384 2.526 30 40 FFEB C#CCOc1cc(F)ccc1NC(=O)CCNC(=O)/C=C/c1ccco1 72295525 OSBVARPXKZVQFZ-SOFGYWHQSA-N 356.353 2.589 30 40 FFEB C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(C#N)cc1 7658163 CFTZEYBLULWMOK-LBPRGKRZSA-N 353.334 2.579 30 40 FFEB N#Cc1nccnc1O[C@H]1CCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 225802286 XHEGWURTHHGJTI-VFQAQYNWSA-N 354.797 2.695 30 40 FFEB CCCCCCCCCCCC[S@](=O)[C@H]1CS(=O)(=O)C[C@@H]1O 95870233 SYBGQUOWIDTOOE-CKJXQJPGSA-N 352.562 2.814 30 40 FFEB C/C(=N/N=C1\NC(=O)[C@H](CC(=O)O)S1)c1ccc(OCC(C)C)cc1 33913013 NAJLIGAGWHNXGW-KVMVOAJRSA-N 363.439 2.508 30 40 FFEB CCN(CC)[C@H](CNS(=O)(=O)c1cccc(C#N)c1)c1ccsc1 30435336 BBRSJQAJYYITPL-QGZVFWFLSA-N 363.508 2.981 30 40 FFEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(Br)cc1)[C@H]1C=C[C@H]2CC1 105644782 IZRILHKBMOEXNE-YCJUXAPISA-N 359.223 2.980 30 40 FFEB CC(C)OCc1cc(/C(O)=N/S(=O)(=O)c2cccnc2)ccc1F 76760924 PSVBAPFRXYSCLY-UHFFFAOYSA-N 352.387 2.839 30 40 FFEB CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 56032321 LWNCGCDBWBGEDM-UHFFFAOYSA-N 360.826 2.909 30 40 FFEB CC(=O)Nc1ccc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1 3262124 LEHIWXPOYMQJSJ-UHFFFAOYSA-N 365.389 2.749 30 40 FFEB O=[N+]([O-])c1ccc([C@H](O)/C(=N\O)c2nc3ccc(Cl)cc3nc2O)cc1 104295137 BUNZELLKAVADAP-HYTQYMIGSA-N 374.740 2.809 30 40 FFEB C=CCNC(=O)CN1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 11284710 UBJIOKBNGKCWFK-HNNXBMFYSA-N 356.466 2.948 30 40 FFEB C=CCOc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 224832500 UUCVJSLVQBTVEQ-GOSISDBHSA-N 374.462 2.823 30 40 FFEB Cn1nc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c2ccccc21 529519771 OWFWAXLGWMTYKJ-UHFFFAOYSA-N 360.417 2.881 30 40 FFEB N#Cc1cccnc1OC1CCN(C(=O)Cc2noc3ccccc23)CC1 96119264 GTJZYPGIYOKVKB-UHFFFAOYSA-N 362.389 2.707 30 40 FFEB CCN1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccncc2)C3=O)CC1 20533472 DTJLNOOZHIYFJQ-UYRXBGFRSA-N 365.433 2.541 30 40 FFEB CCn1nc(C(=O)OCc2cn3ccccc3c2C#N)c2ccccc2c1=O 32682331 OSJKVOCPAPJKSB-UHFFFAOYSA-N 372.384 2.898 30 40 FFEB C=C1[C@H]2CC[C@@]3([C@H]4C[C@H]5[C@@]6(CCC[C@@]5(C)CN(CCO)[C@@H]6O4)[C@@H]3C2)[C@@H]1O 4097733 RLXRCZIALRMBJR-QSRLNDOYSA-N 359.510 2.549 30 40 FFEB biogenic,in-vitro CCc1ccc(-c2nnn(CC(=O)[C@@H](C#N)c3nc(C)cs3)n2)cc1 23107002 KAQRPQZBUDYPNW-CQSZACIVSA-N 352.423 2.544 30 40 FFEB CCN(CC(=O)Nc1cccc(C#N)c1)S(=O)(=O)c1ccc(C)cc1 54229198 QNCRVKAWFLSSIG-UHFFFAOYSA-N 357.435 2.516 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 100301674 PYFMQUCYIDMEMK-YDWZMJPVSA-N 371.780 2.635 30 40 FFEB O=c1c2[nH]c3ccc(Br)cc3c2ncn1/N=C/c1cccnc1 2272600 DHCZIPDTMNRWTJ-DNTJNYDQSA-N 368.194 2.918 30 40 FFEB C=CCNC(=O)c1cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 2203686 MSVSODJPBRITRG-UHFFFAOYSA-N 358.401 2.613 30 40 FFEB C=CCNC(=O)[C@@H](C)Sc1nnc(N2CCCC2)n1-c1ccc(C)cc1 11135432 AXOXYNORVOVWPT-OAHLLOKOSA-N 371.510 2.959 30 40 FFEB CC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 6347862 XSHNEQCMLCBBQD-GFCCVEGCSA-N 351.362 2.701 30 40 FFEB C=CCN1C(=O)/C(=C/c2cccn2-c2ccc(C)c(C)c2)C(=O)NC1=S 408965363 KRABFULBAKAGFX-SFQUDFHCSA-N 365.458 2.907 30 40 FFEB COc1nccnc1N(C)CC1CCN(Cc2ccc(C#N)cc2F)CC1 1776009580 KDRNYRLEYSRMFJ-UHFFFAOYSA-N 369.444 2.844 30 40 FFEB CC(C)(C)N1C(=O)CS[C@H](C(=O)NC2CC2)[C@@H]1c1ccc(C#N)cc1 952964697 MFBSNHXIFBBQPL-IRXDYDNUSA-N 357.479 2.620 30 40 FFEB CCn1cc(C#N)c(=O)n(CCCOc2ccc(C(C)(C)C)cc2)c1=O 31794692 CFIIZTKQNPQOPR-UHFFFAOYSA-N 355.438 2.668 30 40 FFEB COc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2cccc(Cl)c2)C1=O 408537699 WRQAZTFVHCNBQY-ZDUSSCGKSA-N 371.780 2.950 30 40 FFEB COc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3ccccc3C)C2=O)cc1 408534658 MMYPJTDVPDZQQZ-HNNXBMFYSA-N 351.362 2.605 30 40 FFEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccccc1 13127321 AVUMYLIDAJXAKA-GOSISDBHSA-N 365.433 2.612 30 40 FFEB CCCC[C@H](CC)CNC(=O)CN(C)S(=O)(=O)c1ccccc1C#N 29431668 WJDAFCCLDMOJGG-HNNXBMFYSA-N 365.499 2.511 30 40 FFEB COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccnc1 100562968 UTNCWPZYKRNCTH-SFHVURJKSA-N 370.449 2.875 30 40 FFEB N#CC(=O)c1ccccc1N1CC[C@H](NC(=O)c2ccc(F)cc2F)C1 101204222 XIYLMSNJRMRNJJ-ZDUSSCGKSA-N 355.344 2.680 30 40 FFEB N#Cc1ccc(CN2CCCN(C[C@@H](O)c3ccc(F)cc3)CC2)cc1 25304061 RKFIMHJAGJEKGI-OAQYLSRUSA-N 353.441 2.939 30 40 FFEB COc1cccc(C/C(O)=N/S(=O)(=O)Cc2ccc(Cl)nc2)c1 58151260 FZMYGBGDJZZSJC-UHFFFAOYSA-N 354.815 2.773 30 40 FFEB CCOc1ccc(S(=O)(=O)N/N=C(\C)Cc2ccc(OC)cc2)cc1 4863912 FLBUEFCBDKWYKN-XMHGGMMESA-N 362.451 2.991 30 40 FFEB COc1ccc(OC)c([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C)nn32)c1 22608115 WPOVEXVHUYARHD-XTZNXHDOSA-N 354.410 2.872 30 40 FFEB Cc1cc(C)n(-c2ccc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nn2)n1 8754493 CPCPZRREWIBJGS-RDTXWAMCSA-N 372.498 2.814 30 40 FFEB C=CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1(F)CC1)C2 585107553 ZNYITTGIJFCGJW-FQEVSTJZSA-N 352.413 2.808 30 40 FFEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cc(F)cc(F)c2)CC1 40087059 VJSBTMMAHKCASZ-UHFFFAOYSA-N 358.348 2.664 30 40 FFEB N#Cc1ccc(CN2CCC(NS(=O)(=O)c3ccccc3)CC2)c(F)c1 25050714 XXFJPLZLLAAWES-UHFFFAOYSA-N 373.453 2.640 30 40 FFEB CN1CCN(CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](c2ccccc2)C1 108057023 ZWCFENGPGMEJJH-LJQANCHMSA-N 354.498 2.660 30 40 FFEB CN(C(=O)Cc1csc(NC(=O)c2ccccc2)n1)C1(C#N)CCC1 58416277 MTVNQFLWOFOHSG-UHFFFAOYSA-N 354.435 2.843 30 40 FFEB N#Cc1cccc(S(=O)(=O)N2CCC(OCc3ccccc3)CC2)c1 8944415 CKRRFTJTOFMUMC-UHFFFAOYSA-N 356.447 2.928 30 40 FFEB COc1cc2ccccc2cc1C(=O)N(C)CCCc1n[nH]c(N)c1C#N 8012634 JARUMBHXTWENOG-UHFFFAOYSA-N 363.421 2.730 30 40 FFEB COc1ccccc1-c1n[nH]c(/N=C(\O)[C@@H](C)NC(=O)c2cccs2)n1 52778886 XTAHSDVDQGYWMC-SNVBAGLBSA-N 371.422 2.948 30 40 FFEB N#Cc1cccc(NC(=O)CCn2c(=S)[nH]c3ccccc3c2=O)c1 11372760 OUDHBXCGKPUEKH-UHFFFAOYSA-N 350.403 2.960 30 40 FFEB C=CC(C)(C)c1[nH]c2ccccc2c1C[C@H]1NC(=O)[C@@H]2CCCN2C1=O 13415191 KUGNSEAHJVSMAJ-SJORKVTESA-N 351.450 2.663 30 40 FFEB biogenic C#CC(C)(C)OC(=O)[C@H]1CC(C)=CC[C@H]1C(=O)n1nnc2ccccc21 1065852 QQAHOTGQLOWOKM-CABCVRRESA-N 351.406 2.999 30 40 FFEB COC(=O)C(=O)C/C(=N/Nc1ncnc2ccccc12)c1ccc(F)cc1 9704713 JITOWRMBJWGCIH-KQWNVCNZSA-N 366.352 2.717 30 40 FFEB COc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(C)cc3)C2=O)c1 408529981 DNTCWAJIKLOYHF-INIZCTEOSA-N 351.362 2.605 30 40 FFEB CN(C)[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)c1ccccc1Cl 47213418 GEMGJZSNDHVOIB-KRWDZBQOSA-N 363.870 2.793 30 40 FFEB O=C(NCC#Cc1cccc(F)c1)[C@H]1CCCN(C(=O)NC2CCCC2)C1 669926474 URODDOHILGEBLS-KRWDZBQOSA-N 371.456 2.658 30 40 FFEB O=C1C=CC(=NOS(=O)(=O)c2ccc3c4c(cccc24)C(=O)S3)C=C1 5234917 ZPYSZUXBVWBWHI-UHFFFAOYSA-N 371.395 2.842 30 40 FFEB CCS(=O)(=O)c1ccc2c(c1)N/C(=C\C(=O)c1ccccc1)C(=O)O2 102881476 NEZFQSJOOKYJPF-PTNGSMBKSA-N 357.387 2.578 30 40 FFEB N#Cc1ccccc1OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10445551 UPFWGYMLCRYZQC-UHFFFAOYSA-N 363.417 2.814 30 40 FFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(C)CC(OC)OC)[C@H]3C[C@@H]12 35361866 YHZOBPBMQMCRTE-YNIGFRRXSA-N 351.487 2.851 30 40 FFEB biogenic Cc1ccc(/C=N/N2CC(=O)N3Cc4[nH]c5ccccc5c4C[C@H]3C2=O)cc1 2095119 KMQNYGOBEPDMAH-BLXMRYOQSA-N 372.428 2.606 30 40 FFEB N/C(Cc1ccccc1Cl)=N/OCC(=O)N1CCc2ccccc2C1 58498001 JBKNADMZFGSILN-UHFFFAOYSA-N 357.841 2.756 30 40 FFEB CS(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 5219738 GEEQEOWXWMHDQU-NVNXTCNLSA-N 361.331 2.549 30 40 FFEB C=CCNc1nc(C(=O)O[C@H](C)C(=O)NC(=O)Nc2ccccc2)cs1 9156211 FDKNUGJVSBBXJS-LLVKDONJSA-N 374.422 2.635 30 40 FFEB Cc1ccc(N2C(=O)[C@H](/C=N\c3ccc(F)cc3)C(=O)NC2=S)cc1 408756377 UTAHTRDLQACJPB-RKQRPNFGSA-N 355.394 2.901 30 40 FFEB C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 594335418 NLJJXUBYZBNUIU-HNAYVOBHSA-N 361.445 2.938 30 40 FFEB CC(=O)NCc1ccc(C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 1776007804 XXPSBWXFMHMFJK-KRWDZBQOSA-N 372.274 2.631 30 40 FFEB Cc1ccccc1N1/C(=N\C(=O)C(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@H]21 101312001 IIJHTVDNQDWORU-QJGXAYKQSA-N 366.508 2.643 30 40 FFEB N#CCCN1C(=O)[C@H](O)N=C(c2ccccc2F)c2cc(Cl)ccc21 1533874 XAXMYHMKTCNRRZ-KRWDZBQOSA-N 357.772 2.895 30 40 FFEB world C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC#N)c1 3478240 LTRYOGKPMKRGIQ-UHFFFAOYSA-N 356.403 2.748 30 40 FFEB O=S(=O)(/N=C(O)/C=C/c1ccc2c(c1)OCCO2)c1ccccc1F 48587799 BZJSBZOZJPPYIZ-SOFGYWHQSA-N 363.366 2.956 30 40 FFEB Cc1ccnc(NC(=O)c2cccc(S(=O)(=O)OCC(F)(F)F)c2)c1 8747116 OAVAEKXRLYCKMQ-UHFFFAOYSA-N 374.340 2.910 30 40 FFEB Cc1ccc(-c2noc(CN3CCN(c4ncccc4C#N)CC3)n2)cc1 14138575 GSXKPJZZTPXHBM-UHFFFAOYSA-N 360.421 2.634 30 40 FFEB C[C@@H](OC(=O)c1ccc(Br)o1)C(=O)NC1(C#N)CCCCC1 6620056 IPBWAFZTCWKKSF-SNVBAGLBSA-N 369.215 2.930 30 40 FFEB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1ccc(C#N)cc1)CC(O)=N2 71279892 BKQWIWLVVJJENO-HUUCEWRRSA-N 370.434 2.546 30 40 FFEB CC(C)N(C[C@H](O)c1ccc(O)c(O)c1)C(=O)Nc1cccc(C#N)c1 95976754 OLCMNTTYDCRNIZ-SFHVURJKSA-N 355.394 2.945 30 40 FFEB CC(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1ccc2c(c1)OCO2 67341977 UCOZPOIJMYDMKO-VZCXRCSSSA-N 366.329 2.793 30 40 FFEB COc1ccc(-n2nc(C(=O)O)c(/C=C/c3ccccc3)c(C#N)c2=O)cc1 409206507 PDMDYBPLSACFJE-KPKJPENVSA-N 373.368 2.981 30 40 FFEB CCCc1cc(O)nc(-n2nc(C)cc2NC(=O)c2ccc(C#N)cc2)n1 38741216 UXKVRTRWJWGENS-UHFFFAOYSA-N 362.393 2.753 30 40 FFEB C#CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2cc(F)cc(F)c21 100877790 NUYOMZMNWFPUKC-SDXDJHTJSA-N 363.301 2.857 30 40 FFEB CN(C)C[C@@H](CNC(=O)Nc1ccc(C#N)cc1)[C@@H](O)c1ccccc1 40088343 AFULFGCSWGBZJM-MJGOQNOKSA-N 352.438 2.591 30 40 FFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)COCC(F)(F)F 58377506 XXQZHEOUFLKTSY-JTQLQIEISA-N 355.316 2.948 30 40 FFEB COc1cccc(S(=O)(=O)/N=C(\O)[C@H]2CC(c3ccccc3)=NO2)c1 58187796 IUVBKMICUVJMSG-MRXNPFEDSA-N 360.391 2.534 30 40 FFEB COc1ccccc1NC(=O)CO/N=C(\N)c1cccc(C(F)(F)F)c1 8718845 STSZSLUQRBRLKR-UHFFFAOYSA-N 367.327 2.990 30 40 FFEB C=CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1Br 4185166 CVMSUHXPFGHSHY-ZDUSSCGKSA-N 367.268 2.971 30 40 FFEB CCN(CC)c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 222319785 ZJFAFNLKQZZYEM-JUYFOMCASA-N 363.461 2.920 30 40 FFEB N=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1nonc1N 2200946 YQMFAOPXHQNDOR-ZVBGSRNCSA-N 370.800 2.833 30 40 FFEB COc1ccccc1OCCNC(=O)COc1ccc(C#N)cc1Cl 7857828 IMVMFOCUTJNZHX-UHFFFAOYSA-N 360.797 2.794 30 40 FFEB CCOc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1OCC 104738656 LYDZOLYKZOJSCW-FPHLNOBYSA-N 354.406 2.625 30 40 FFEB COc1ccc(C)cc1-n1nnnc1SCC(=O)c1ccc(C#N)cc1 3221483 OOBACFZVKLVCDQ-UHFFFAOYSA-N 365.418 2.826 30 40 FFEB COc1cc(/C=C/C(=O)c2ccc(-n3cncn3)cc2)cc([N+](=O)[O-])c1O 35336628 CSCOGDFUVXCHIN-FARCUNLSSA-N 366.333 2.786 30 40 FFEB C[C@H](C(=O)Nc1sccc1C#N)N1CCN(c2ccc(F)cc2)CC1 57407571 UTJNLWYHMLPYBL-CYBMUJFWSA-N 358.442 2.908 30 40 FFEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccccc2Cl)C1=O 10024487 VQRGWXXBBHWLQM-LJQANCHMSA-N 367.792 2.862 30 40 FFEB Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)Cc1ccc2c(c1)OCO2 24050313 HMCOSMSRKVGZKG-UHFFFAOYSA-N 368.437 2.734 30 40 FFEB CC(C)(C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1C#N 12775220 XNZIOTRJLDXWJC-UHFFFAOYSA-N 371.462 2.668 30 40 FFEB COc1ccc(S(=O)(=O)/N=C(\O)c2ccc(OC(C)C)nc2)cc1 48585546 GBUFNNBNQHXRSV-UHFFFAOYSA-N 350.396 2.571 30 40 FFEB C=CCOc1cc(Br)c(/C=C2/NC(=O)NC2=O)cc1OCC 409040336 GIRVOWRZRQFNCG-IZZDOVSWSA-N 367.199 2.593 30 40 FFEB C/C(=N\OCC(=O)Nc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 6593037 WODBVSUIVHEBQU-LPYMAVHISA-N 351.362 2.709 30 40 FFEB N/C(=N/OCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 5866313 FSKIFHSUSTZYDF-UHFFFAOYSA-N 351.450 2.805 30 40 FFEB C=CCn1c(SCc2ccc(C#N)cc2)nnc1[C@H]1CCS(=O)(=O)C1 21999012 IAQLMYCBKKHFAC-HNNXBMFYSA-N 374.491 2.530 30 40 FFEB CSc1ccccc1NC(=O)CN(C)C(=O)COc1ccccc1C#N 8292461 GSRJOSNDKGCLMZ-UHFFFAOYSA-N 369.446 2.756 30 40 FFEB CC(=O)c1cc(CCC(=O)OCC(=O)Nc2sccc2C#N)oc1C 8541814 BSHDRPJFPZKXEY-UHFFFAOYSA-N 360.391 2.838 30 40 FFEB N#CCOc1ccc(Cl)cc1C=Nn1c(O)nc2ccccc2c1=O 409355982 FVEGDDWPDQCVOI-UHFFFAOYSA-N 354.753 2.540 30 40 FFEB C[C@H](/N=C(/O)N1CCN2CCOC[C@H]2C1)c1ccc(-c2ccncc2)cc1 329770608 GDMDUARYPNZNDR-OXJNMPFZSA-N 366.465 2.740 30 40 FFEB Cc1cc([N+](=O)[O-])cc2c1N(C)C(=O)/C2=N\Nc1ccc([N+](=O)[O-])cc1 5005954 RGPVOFDZVCBBTK-JXAWBTAJSA-N 355.310 2.604 30 40 FFEB N#Cc1ccc(N2C[C@@H]3CN(c4ncccc4C(F)(F)F)C[C@H]3C2)cn1 1888868574 JQEMGJCQOBGDNL-CHWSQXEVSA-N 359.355 2.940 30 40 FFEB C[C@](O)(C#Cc1ccccc1)CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 3168837 BKXXFEZVQGBLIP-UNMCSNQZSA-N 362.429 2.556 30 40 FFEB O=S(=O)(c1ccc(N/N=C/c2ccc(F)cc2)nc1)N1CCCCC1 6784351 WKFNNEGHQIXUQQ-UDWIEESQSA-N 362.430 2.841 30 40 FFEB CN(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc2c(c1)OCCO2 24926314 IRWLSAGHHFJZQC-UHFFFAOYSA-N 351.406 2.790 30 40 FFEB Cn1ncc(Br)c([C@@H](C#N)c2nc3ccccc3s2)c1=O 28114847 AVESAWZAHWRIQF-MRVPVSSYSA-N 361.224 2.808 30 40 FFEB CCc1n[nH]c(=S)n1/N=C/c1cc(Br)c(O)c(OC)c1 2428508 WIKVVSRVINTEHW-MKMNVTDBSA-N 357.233 2.862 30 40 FFEB Cc1ccc(NC(=O)[C@H]2CC(=O)N=C(N/N=C/c3ccco3)S2)cc1C 9087599 SMESDSSDEALFHS-GDXCHIGESA-N 370.434 2.847 30 40 FFEB Cc1cc(C=Nn2c(O)nc3ccccc3c2=O)c(C)n1-c1ccncc1 409348055 QAPCPGBSUWLMOA-UHFFFAOYSA-N 359.389 2.787 30 40 FFEB COc1cc(/C=N\N2CCN(Cc3ccccc3)CC2)cc(OC)c1OC 31841307 QOCUDWITGDNBBA-JCMHNJIXSA-N 369.465 2.864 30 40 FFEB Cc1noc(C)c1CN1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 96238886 XJOOMTINMLBOHE-HXUWFJFHSA-N 350.422 2.792 30 40 FFEB COc1ccccc1-c1ccc(N2CC(N(C)c3ccc(C#N)nc3)C2)nn1 1888897914 PDDYPKZMGVMPHG-UHFFFAOYSA-N 372.432 2.744 30 40 FFEB N#Cc1ccc(CSc2nc3ccccc3c(=O)n2CCCO)cc1 6366403 CLTJSAWDKMBDOB-UHFFFAOYSA-N 351.431 2.943 30 40 FFEB COc1ccc(N2C(=O)[C@@H](CC(=O)O)S/C2=N/N=C\c2ccco2)cc1 100142828 ODWNBXVKCZGQQF-SQFLZQICSA-N 373.390 2.601 30 40 FFEB CN(CC(=O)N(CCC#N)CCC#N)Cc1csc(Br)c1 69947871 ADKRXHLJOHFUJY-UHFFFAOYSA-N 369.288 2.598 30 40 FFEB Cc1ccc(-c2nc(Cn3c(=O)c(C#N)cn(C4CC4)c3=O)co2)c(C)c1 48332971 PFXBAFVJJFCIFC-UHFFFAOYSA-N 362.389 2.537 30 40 FFEB O=S(=O)(/N=C(\O)Cn1ccc2ccccc21)c1ccc2c(c1)OCCO2 71820763 QGNWDKNWUPCBJH-UHFFFAOYSA-N 372.402 2.758 30 40 FFEB C/N=C1/S/C(=C\c2cc(Br)cc(OC)c2OC)C(=O)N1C 408849956 BOZPPEXKHPFGPO-HKVQIXTNSA-N 371.256 2.998 30 40 FFEB COC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1OC 49545096 MCFVBMJAYLNRGA-KRWDZBQOSA-N 353.378 2.700 30 40 FFEB CC(C)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]c(=O)[nH]c(=O)c32)cc1 18199481 RPJQTESELDDTQF-OAHLLOKOSA-N 351.406 2.751 30 40 FFEB COc1ccc(S(=O)(=O)N2CCC(C#N)(c3ccccc3)CC2)cc1N 4661211 NWIBHMMFYYEHJV-UHFFFAOYSA-N 371.462 2.523 30 40 FFEB C=CCOC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)c2c(O)n[nH]c2C[C@]1(C)O 4908741 LUAULMSEBPVYAT-SIIHOXLZSA-N 362.813 2.553 30 40 FFEB CCc1nnc(NC(=O)CSc2nc(C)cc(COC)c2C#N)s1 3127198 UMOGQLXHHOVHBX-UHFFFAOYSA-N 363.468 2.553 30 40 FFEB N#Cc1cccc(OCCN2CCC(NC(=O)c3cccs3)CC2)c1 58178579 JNSXRIYGCDZECY-UHFFFAOYSA-N 355.463 2.893 30 40 FFEB CCOC(=O)c1nc[nH]c1N/N=C(C#N)\C(O)=N\c1ccc(Cl)cc1 18152803 FPEWIRRZGABGET-NHDPSOOVSA-N 360.761 2.819 30 40 FFEB Cc1ncc(CO)c(/C=N/NC(=S)Nc2cccc(Cl)c2)c1O 13865743 YFJGFVLHZQRZCR-CNHKJKLMSA-N 350.831 2.562 30 40 FFEB C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c1C 4515088 HMUQSLQXYBNUEB-ZUOKHONESA-N 357.454 2.974 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(C)cc2)cc1 9110864 WHZKHECMQZSJAH-SFHVURJKSA-N 367.401 2.574 30 40 FFEB Cc1ccc(NC(=O)[C@H]2CC(=O)N/C(=N/N=C/c3ccco3)S2)cc1 9330013 DNLLHOPMMOFRON-YFEUJDIGSA-N 356.407 2.538 30 40 FFEB CCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1C#N 19940143 MGWXXGDGVOMGNW-UHFFFAOYSA-N 368.418 2.738 30 40 FFEB CCNC(=S)N/N=C/c1ccc(OCc2ccccc2C#N)c(OC)c1 409373914 WVHQHAQFGWRJOF-WSDLNYQXSA-N 368.462 2.964 30 40 FFEB COc1ccccc1N=C[C@@H]1C(=O)NC(=O)N(c2cccc(C)c2)C1=O 408538006 YJDBZZWKNWTVQA-CQSZACIVSA-N 351.362 2.605 30 40 FFEB C#C[C@@]1(O)CCCC[C@H]1NCc1cc2c(cc1Br)OCO2 226097795 UUEZHLQJANLCBX-HZPDHXFCSA-N 352.228 2.574 30 40 FFEB CC(C)(CO)[C@@H](NC[C@@H](O)COc1ccccc1C#N)c1cccs1 599420159 CFCRNXLLGTUDHZ-QAPCUYQASA-N 360.479 2.709 30 40 FFEB Cc1cc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)ncc1C#N 582225952 SAAZVYOPVPXEJM-UHFFFAOYSA-N 360.461 2.925 30 40 FFEB COc1ccc(/C=C/C(=O)c2ccccc2C(=O)O)c(C(=O)O)c1OC 5916569 JRBWIIFTBRVKCW-VQHVLOKHSA-N 356.330 2.996 30 40 FFEB biogenic C=CCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4)n[nH]3)cc2C1=O 12601603 NBKMVXBBJICVOB-UHFFFAOYSA-N 373.372 2.506 30 40 FFEB O/N=C1\Cc2ccccc2[C@@H]1N1CCN(Cc2ccc3c(c2)OCO3)CC1 19683261 FQUIZYFMERBDPI-VUZMPXBXSA-N 365.433 2.661 30 40 FFEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1cccc(Br)c1 100175766 VOZDCUJQJWMUDR-SWBGEZJRSA-N 359.223 2.980 30 40 FFEB N#Cc1ccc(CN2CCC3(CC2)C[C@@H](NC(=O)C2CC2)CCO3)cc1 108533672 MYBOUNDRXCMIKA-IBGZPJMESA-N 353.466 2.598 30 40 FFEB COc1c2c(cc3c1OCO3)CCN(C)C(C(=O)c1ccc(N)cc1)=C2 49543132 GMPPIFPXQDEKKS-UHFFFAOYSA-N 352.390 2.718 30 40 FFEB biogenic O=c1c2ccccc2nc(O)n1N=Cc1cc(Br)cs1 409364215 WBNSFZVAVSEGKM-UHFFFAOYSA-N 350.197 2.808 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)O/N=C\c1ccccc1O 8382524 FBJUIDUTVRSKBK-BXSODOALSA-N 367.405 2.686 30 40 FFEB N#Cc1ccc(C2=CCN(C(=O)CN3Cc4ccccc4C3=O)CC2)cc1 503845691 YEMNIIAOEOJPFZ-UHFFFAOYSA-N 357.413 2.830 30 40 FFEB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)C=O)cc1 218104220 NUBHEBBYQNIHIF-GUDVDZBRSA-N 355.415 2.652 30 40 FFEB CC1(C)CC(=O)C2=C(C1)Oc1ncn3[nH]c(=N)nc3c1[C@@H]2c1cccs1 329788080 KWLYKALLGYSWAM-CYBMUJFWSA-N 367.434 2.766 30 40 FFEB N=C1S/C(=C\c2ccc(N3CCOCC3)o2)C(=O)[C@H]1c1nccs1 137627728 GUJVAEREAXSJGV-DLHDDUCRSA-N 361.448 2.991 30 40 FFEB CN(C(=O)OC(C)(C)C)[C@H](CN=c1ccc(C#N)n[nH]1)Cc1ccccc1 585139174 GLDTVUMBIMOPQT-KRWDZBQOSA-N 367.453 2.660 30 40 FFEB N#Cc1cccc(N2CCOC[C@]3(CCCN(C(=O)C4(F)CCC4)C3)C2)c1 1565544892 UMUQHROMBLBMAZ-HXUWFJFHSA-N 371.456 2.896 30 40 FFEB O=C(OCCNC1=C(Cl)C(=O)c2ccccc2C1=O)c1ccccc1 100897355 YNXDQPWNFANOOC-UHFFFAOYSA-N 355.777 2.963 30 40 FFEB N#Cc1c(CCCNC(=O)c2ccsc2)nn(-c2ccc(F)cc2)c1N 25162255 KFSHQHWWFUMCPE-UHFFFAOYSA-N 369.425 2.889 30 40 FFEB Cc1nnc(NC[C@@H](c2cccc(F)c2)N2CCOCC2)c(C#N)c1C 58191003 MPJYYLAXPLBCTG-SFHVURJKSA-N 355.417 2.590 30 40 FFEB Cc1noc2ncc(C(=O)N3CCCN(c4ccccc4C#N)CC3)cc12 48221115 WONWAYMBHQQGCK-UHFFFAOYSA-N 361.405 2.755 30 40 FFEB N#CCOc1ccccc1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 409089086 LSVAYLRQPMSLGO-OJNRTJSBSA-N 360.460 2.969 30 40 FFEB Cc1c(C#N)c(NC(=O)CN2CCCCCC2)n(C[C@H]2CCCO2)c1C 8119153 UMYGHSUBOQCBQY-QGZVFWFLSA-N 358.486 2.970 30 40 FFEB CS(=O)(=O)N1CCCc2cc(C(=O)COc3cccc(C#N)c3)ccc21 8332900 YJDUGONSHNPOGR-UHFFFAOYSA-N 370.430 2.532 30 40 FFEB O=S(=O)(/N=C(\O)OC[C@@H]1CCCN2CCCC[C@@H]12)c1ccc(F)cc1 19857512 PPYNBSFRXMRRLN-BBRMVZONSA-N 370.446 2.710 30 40 FFEB CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](C(=O)OC(C)(C)C)c1ccccc1 95418873 KWSRNICDTSNRCR-XLIONFOSSA-N 359.470 2.713 30 40 FFEB CN(C)c1ccc(/C=N\NC(=S)N/N=C/c2ccc(N(C)C)cc2)cc1 38799022 MBUQGKAMDXBKEA-IWXNDQKYSA-N 368.510 2.651 30 40 FFEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CCOc2cccc(F)c2)C1=O 41701921 UVNGQHMAEKFBRD-LJQANCHMSA-N 353.353 2.543 30 40 FFEB COc1ccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccccc3)S2)cc1 6027298 XMXYJEHQTCXVCX-OAHLLOKOSA-N 355.419 2.943 30 40 FFEB CSc1ccccc1C(=O)N1C[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]2C1 2298212797 NVEFVYGQNYDXLR-IYBDPMFKSA-N 364.474 2.884 30 40 FFEB CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 102787736 WOEWADTZTWXHJV-SYLQMPFCSA-N 361.467 2.794 30 40 FFEB COC(=O)C1=C(C(=O)c2cccs2)[C@@H](c2ccccc2)n2ncnc2N1 102420632 IFZNOGDLRRYZFL-OAHLLOKOSA-N 366.402 2.665 30 40 FFEB C=CCN(Cc1cccs1)C(=O)/C=C/c1ccc(OCC(N)=O)cc1 48300916 HGJDDSDZDHYRIB-JXMROGBWSA-N 356.447 2.840 30 40 FFEB Cc1ccc(C[C@@H](C#N)Sc2nnc(CCC(N)=O)n2CC(C)C)cc1 8128881 JNXPPOXOSHZACC-INIZCTEOSA-N 371.510 2.887 30 40 FFEB Cc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2cccc([N+](=O)[O-])c2)C1=O 408537846 XQBFXKNOHPAZLX-CQSZACIVSA-N 366.333 2.505 30 40 FFEB C=CCN1C(=O)N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O 409123439 HAXHHRVOYJHKOK-GXDHUFHOSA-N 369.333 2.942 30 40 FFEB CCOC[C@@]1(C#N)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Br)cc1 218190527 CKGXFOMIYWVMJF-MELADBBJSA-N 358.257 2.506 30 40 FFEB C=CCOc1ccc(C(=O)N2CC[C@H]3CN(C(C)C)CCO[C@@H]3C2)cc1 1565545299 CWBXZUWNCSEBPU-AZUAARDMSA-N 358.482 2.823 30 40 FFEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccccc1 13127320 AVUMYLIDAJXAKA-SFHVURJKSA-N 365.433 2.612 30 40 FFEB Cc1cc(C)nc(-n2nc(C)c(C#N)c2NC(=O)NC2CCCCC2)n1 10382135 BLILCSBPMQNCPO-UHFFFAOYSA-N 353.430 2.913 30 40 FFEB C[C@@H]1Sc2ccc(C(=O)[C@@H](C#N)C(=O)NC3CCCCC3)cc2NC1=O 103503909 IJCRTPFSXRGPBV-SMDDNHRTSA-N 371.462 2.891 30 40 FFEB N#Cc1ccc(CSCC(=O)N2CCN(c3nccs3)CC2)cc1 47798951 XCONXJXZKDCWBA-UHFFFAOYSA-N 358.492 2.597 30 40 FFEB O=C1C2=C(C=C/C1=C1\Nc3ccccc3C1=O)C(=O)c1ccccc1[C@H]2O 100643779 HNSCANPQNGSUPL-PHKMIBKXSA-N 355.349 2.914 30 40 FFEB N#CC1(NC(=O)CSc2nncn2Cc2ccco2)CCCCCC1 12821183 UWICYUGDFIRXRI-UHFFFAOYSA-N 359.455 2.744 30 40 FFEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(N3CCCCC3)o1)[C@H]1C=C[C@H]2CC1 408728511 NTWCDEIBPRWXLK-JGEHDZGRSA-N 353.422 2.801 30 40 FFEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1c(C)cccc1C 5338812 KRSNXWFYRSSFDA-IKZORZIJSA-N 366.508 2.705 30 40 FFEB N#Cc1ccc(NC(=O)COC(=O)[C@@H]2COc3ccccc3O2)cc1Cl 6583171 LWQHNGQAUYCTSO-INIZCTEOSA-N 372.764 2.533 30 40 FFEB CC(=O)/C(=N\Nc1cc([N+](=O)[O-])ccc1C(=O)O)C(=O)c1ccccc1 6508484 UHLNQESOJZXHSZ-XDJHFCHBSA-N 355.306 2.533 30 40 FFEB CCOc1cc2c(cc1CNS(=O)(=O)c1ccc(C#N)cc1)O[C@H](C)C2 7973327 WWBRUCHJCURJQE-CYBMUJFWSA-N 372.446 2.759 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)NCc1cccc(Cl)c1 408708882 MSGRIXSKDQYHAO-UHFFFAOYSA-N 371.824 2.511 30 40 FFEB O=C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252516847 XFKTYRPAPSMLMI-XYPHTWIQSA-N 364.806 2.824 30 40 FFEB O=C1Nc2ccc(Br)cc2/C1=N/N=Cc1ccc(O)cc1O 254626594 IKMJRKRTMOFAFF-UHFFFAOYSA-N 360.167 2.636 30 40 FFEB N#CC1(C(=O)N2CCC3(CC2)CCN(c2cccnc2)C3=O)CCCC1 1565550750 IFOOSKODNZFYEB-UHFFFAOYSA-N 352.438 2.511 30 40 FFEB CCOC(=O)[C@H]1C(=O)C=C(C)[C@H](C(=O)OCC)[C@H]1c1ccc(OC)cc1 102687172 AVFICRAHJIFRSB-KSZLIROESA-N 360.406 2.666 30 40 FFEB CCNC(=O)c1ccc(Cl)cc1NCC(=O)N[C@@](C)(C#N)C(C)C 55874477 JZNWBPYWIRRJKN-KRWDZBQOSA-N 350.850 2.556 30 40 FFEB CC(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 101301143 ZYKOEFYZHAJQSR-YXEAAEFPSA-N 372.899 2.597 30 40 FFEB C[C@@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1cccc(C#N)c1 6509352 YSEADFNCJQFDKF-GFCCVEGCSA-N 364.430 2.924 30 40 FFEB C#C[C@H](OC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)C1CC1 89261384 OGVAEUJWKMPILV-DOMZBBRYSA-N 362.223 2.757 30 40 FFEB N/C(=N/OCC(=O)N1CCC(c2ccccc2)=N1)c1cccc(Cl)c1 65540378 ZRFLVFUTHAENML-UHFFFAOYSA-N 356.813 2.614 30 40 FFEB C=CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(C)=O 223257954 WFIJUGGCULLKOY-OAQYLSRUSA-N 366.461 2.957 30 40 FFEB CC(C)NC(=O)N1CCC[C@]2(COCCN(c3cccc(C#N)c3)C2)C1 96229011 VWKFNVMBATUAIP-HXUWFJFHSA-N 356.470 2.595 30 40 FFEB N#Cc1ccc(OC2CCN(C(=O)c3cnc4ccccc4n3)CC2)nc1 90607639 SFFRFRYXYADFPG-UHFFFAOYSA-N 359.389 2.580 30 40 FFEB C=CCN(CC(F)(F)F)C(=O)c1ccc(C)c(NS(C)(=O)=O)c1 58380733 YVXOQRYVUHBUKI-UHFFFAOYSA-N 350.362 2.557 30 40 FFEB N#CCC[C@@H](NC(=O)NCc1ccnc(-n2cncn2)c1)c1ccccc1 1224538340 RWEXTEOLMNOTOZ-QGZVFWFLSA-N 361.409 2.507 30 40 FFEB Cc1ccc(N(CCC#N)C(=O)CSc2nc3ncccn3n2)cc1C 10079691 RLGFCTNRJGKJGN-UHFFFAOYSA-N 366.450 2.780 30 40 FFEB CCOC(=O)[C@@](NC(=O)Nc1ccc(C#N)cc1)(OCC)C(F)(F)F 2317201 DHQZZZLBNJNOGV-CQSZACIVSA-N 359.304 2.538 30 40 FFEB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C#N)c3)n2N)cc1 3500148 BRFBCVWOCDGSLW-UHFFFAOYSA-N 364.434 2.570 30 40 FFEB CCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1=O 6651173 SRFJEVVFADQWAV-KRWDZBQOSA-N 362.817 2.651 30 40 FFEB Cc1cc(N2CC[C@@]3(NC(=O)c4cncs4)CCC[C@@H]23)c(C#N)cn1 1615610531 DKQWCWHJCCWRTB-AEFFLSMTSA-N 353.451 2.650 30 40 FFEB COc1cccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(OC)c(OC)c2)c1 5408839 UXGUXRNQLSPAAI-KRWDZBQOSA-N 369.373 2.578 30 40 FFEB COC(=O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F 5445577 JNBUMAHXBOHFGT-KRWDZBQOSA-N 369.348 2.577 30 40 FFEB O=C1/C(=C\c2ccc(C(=O)O)cc2)CNC/C1=C/c1ccc(C(=O)O)cc1 16952805 OFXHXWJTICAGGD-XFQWXJFMSA-N 363.369 2.722 30 40 FFEB C=CCSCC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 57264528 NIOTVVMXFKPJEN-UHFFFAOYSA-N 353.875 2.831 30 40 FFEB Cc1noc(CCC/C(O)=N/S(=O)(=O)C2=Cc3ccccc3CC2)n1 58041711 YPWQPJMWVJGNDF-UHFFFAOYSA-N 361.423 2.974 30 40 FFEB COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccccc3F)c2)c1 5861908 KCBFSCRHQAENPL-UHFFFAOYSA-N 364.332 2.793 30 40 FFEB C#CCOc1ccc(Br)cc1/C=N/n1cnnc1SC 408811076 KITSZQKMQOKJSM-LZYBPNLTSA-N 351.229 2.657 30 40 FFEB O=C(Cc1ccccc1Cl)NCC#CCOc1ccc2c(c1)OCO2 90730859 XUDQTANPKPIPQX-UHFFFAOYSA-N 357.793 2.810 30 40 FFEB CC1(C)CC(=O)C2=C(C1)N1CCc3ccccc3[C@@H]1C/C2=N\NC(N)=S 4026863 LYUHTCXXPZHRBX-WXUSHSQQSA-N 368.506 2.822 30 40 FFEB biogenic COC(CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccs1)OC 5445589 VVVSRNQNPYXVEI-MRXNPFEDSA-N 373.430 2.945 30 40 FFEB C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc(-n2ccnc2)cc1 7050232 RWYFXRCXEWSQIS-CQSZACIVSA-N 352.419 2.783 30 40 FFEB COc1ccccc1/C(N)=N\OCC(=O)N1c2ccccc2CC[C@H]1C 54193468 POYSEYICRHVFPQ-CQSZACIVSA-N 353.422 2.700 30 40 FFEB NC(N)=N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 59399017 UUEKNQASXLBPTP-DNTJNYDQSA-N 351.193 2.820 30 40 FFEB CCC(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)OC 100117012 FFOIJJALOMHBBR-UHFFFAOYSA-N 358.181 2.639 30 40 FFEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4cccnc4)[C@H]3[C@@H]3O[C@@]132 3999688 SDMKAJVSPMROMN-NWXZCIDWSA-N 356.466 2.697 30 40 FFEB biogenic C=C(C)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)=O)cc1 6719132 YFBCMBBDBQMASI-CVEARBPZSA-N 364.492 2.540 30 40 FFEB CN(C)c1cccc(C(=O)NCC2CCN(c3ncccc3C#N)CC2)c1 70929132 QHUGCTFOWOFVKR-UHFFFAOYSA-N 363.465 2.666 30 40 FFEB COc1cccc(N2CCO[C@@H]2c2cn(Cc3ccccc3C#N)nn2)c1 216765182 FILGAASXYYEQGW-HXUWFJFHSA-N 361.405 2.742 30 40 FFEB CN(Cc1ccc(F)c(C#N)c1)C[C@@H]1CCCN(C)[C@H]1c1cncn1C 585804545 KDOYIPGXARGHSQ-OXJNMPFZSA-N 355.461 2.946 30 40 FFEB COc1cc2c(cc1OC)CN([C@@H](C)C(=O)Nc1cccc(C#N)c1)CC2 3407535 PXNVTDIQABDMMW-AWEZNQCLSA-N 365.433 2.961 30 40 FFEB CCOc1ccc2nc(NC(=O)C(=O)[C@@H](C#N)CC(C)(C)C=O)sc2c1 1627825 SGVGPNDCXOUEIX-LLVKDONJSA-N 373.434 2.958 30 40 FFEB C=CCn1c(=O)n(-c2ccccn2)c(=O)c2c3c(sc21)COC(C)(C)C3 9060729 AZOKFCLYCADDKT-UHFFFAOYSA-N 369.446 2.646 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)CCn1c(=O)oc2ccccc21 15609566 YRGXMRZLNDHOOP-UHFFFAOYSA-N 365.389 2.539 30 40 FFEB N#Cc1nccnc1O[C@H]1CCN(C(=O)C2(c3cccs3)CCCC2)C1 225800672 XICZDWWYBBCUSE-AWEZNQCLSA-N 368.462 2.901 30 40 FFEB CC1CCN(C(=O)[C@@H](C)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 40025410 VNYPDXUYICXNLE-LJQANCHMSA-N 368.525 2.713 30 40 FFEB COc1cccc(C(=O)N2CCCN(c3ncc(C#N)cc3Cl)CC2)c1 60372312 MNLKWSXWVRXKOQ-UHFFFAOYSA-N 370.840 2.968 30 40 FFEB N#Cc1ccc(CN2CCN(C(=O)c3ccc(O)c(Cl)c3)CC2)cc1 32986511 SJICFXXZPBPJQX-UHFFFAOYSA-N 355.825 2.875 30 40 FFEB C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 8073590 BKTNIQRUNRZKGO-UHFFFAOYSA-N 366.417 2.976 30 40 FFEB CCn1nnc2cc(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c3ccccc3)ccc21 103503747 WVWLDSPQOIJBGZ-CZUORRHYSA-N 361.405 2.651 30 40 FFEB C=C(C)COc1ccc2c(C)c(CCC(=O)N3CCOCC3)c(=O)oc2c1 62001385 PXTGJQJDWUMDLZ-UHFFFAOYSA-N 371.433 2.848 30 40 FFEB biogenic C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)NC1CCCCC1 14160835 ZQLJAAFTZIOXPO-OAQYLSRUSA-N 367.449 2.600 30 40 FFEB CCNC(=S)N/N=C/c1cccc(OCCOc2ccccc2OC)c1 4550321 QLLLCXBITRUVAZ-KGENOOAVSA-N 373.478 2.971 30 40 FFEB C=CCN1CCN([C@H](c2ccccc2F)c2nnnn2C2CCCC2)CC1 20139113 AVDCIPOIHIYWPD-LJQANCHMSA-N 370.476 2.820 30 40 FFEB Cc1cc(C#N)ccc1S(=O)(=O)N1Cc2ccccc2N(C)C[C@@H]1C 81075456 YMRDECMKTZAQBX-HNNXBMFYSA-N 355.463 2.896 30 40 FFEB C[C@@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCCC2 69284198 DLJOOBLZZOTTOQ-CZUORRHYSA-N 367.467 2.795 30 40 FFEB Cn1cc(CN2CCN([C@H](C#N)c3ccccc3)CC2)c(-c2cccnc2)n1 95430345 CXGIJAFPNCLEHO-OAQYLSRUSA-N 372.476 2.865 30 40 FFEB CSc1nc(O)c(C(=O)N2Cc3ccccc3OC[C@@H]2C)cc1C#N 541133239 GYTCLQMPVMJGFA-NSHDSACASA-N 355.419 2.804 30 40 FFEB COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](C)CN(C)c2ccccc21 185669407 HZZRHIKDHRCTFJ-AWEZNQCLSA-N 371.462 2.848 30 40 FFEB C=CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225008054 WOQVGKNIURPSPD-UHFFFAOYSA-N 363.351 2.884 30 40 FFEB C=CCN1CCC[C@@]12CCCN(S(=O)(=O)c1ccc(F)c(F)c1)C2 96214837 QYBBADBQYSFHGW-KRWDZBQOSA-N 356.438 2.770 30 40 FFEB C=CCn1c(=S)[nH]c(O)c([C@H]2NCCc3c2[nH]c2ccccc32)c1=O 20411762 HXEVDNDJEKHDSF-OAHLLOKOSA-N 354.435 2.514 30 40 FFEB biogenic CCOCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 100583997 DAHJLJDIQUXYSV-ZWOKBUDYSA-N 356.527 2.874 30 40 FFEB Cc1csc([C@@](O)(CC(=O)NCc2ccc(C#N)cc2)C(F)(F)F)n1 58297305 HSALTWBZBIMQLG-HNNXBMFYSA-N 369.368 2.780 30 40 FFEB COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccc(O)c1 6786038 FKAGEVZCRDIHQN-MRXNPFEDSA-N 357.362 2.600 30 40 FFEB COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)Nc1ccccc1C#N 7057930 CCILZSUOYHIBCQ-LBPRGKRZSA-N 352.394 2.964 30 40 FFEB CSc1nc(NCCCN2CCOCC2)c(C#N)c(-c2ccccc2)n1 19820808 RXJYLYOGWLCQOC-UHFFFAOYSA-N 369.494 2.871 30 40 FFEB N#Cc1nccnc1O[C@@H]1CCN(C(=O)c2cc3ccccc3s2)C1 225802534 ACVNHRFBQBHYCT-CYBMUJFWSA-N 350.403 2.856 30 40 FFEB N#Cc1cc2cccnc2nc1NC[C@]1(O)CCN(Cc2ccccc2)C1 596145019 KHCULAJQOPOBSA-OAQYLSRUSA-N 359.433 2.550 30 40 FFEB Cc1cc(-c2ncn([C@@H]3CCCCO3)n2)ncc1B1OC(C)(C)C(C)(C)O1 642882466 BZGCKYLLWGOIPI-INIZCTEOSA-N 370.262 2.647 30 40 FFEB C[C@H]1C[C@](O)(C#CCOc2ccc(Br)cc2)[C@H](C)CN1C 5440242 BZEJSCRBMDUORW-JKIFEVAISA-N 352.272 2.923 30 40 FFEB Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(N)[nH]c(=O)c32)s1 17073635 NKXQLIYESIFDJA-ZDUSSCGKSA-N 356.451 2.923 30 40 FFEB Cc1c(Cl)cccc1N/N=C1/C(=O)N(C(N)=S)N=C1c1ccccc1 18286579 MWJFPFKEKWZSFU-RCCKNPSSSA-N 371.853 2.906 30 40 FFEB COc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C)nn32)cc1OC 22608109 BWZFWAVMLSCTEX-YPMLDQLKSA-N 354.410 2.872 30 40 FFEB COCCN(CCOC)Cc1c(O)ccc2c1O/C(=C\c1ccco1)C2=O 20503678 KCJLWGAOJIQURZ-PDGQHHTCSA-N 373.405 2.696 30 40 FFEB C#Cc1cccc(NC(=O)CN(C)C(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 47194436 XQYCJKKKGAJEEH-VAWYXSNFSA-N 363.373 2.686 30 40 FFEB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)N1CCN(c3cc(C#N)ccn3)CC1)C2 107491386 HPSXCHOMFMIBHS-FIKGOQFSSA-N 367.497 3.000 30 40 FFEB CN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cc(Br)ccc1F 58201902 RYTCNQRLFLKEGW-INIZCTEOSA-N 368.250 2.828 30 40 FFEB O=C(/C=C/c1ccc(Cl)cc1)c1c(O)[nH]c(=O)n(-c2ccccc2)c1=O 17015585 VOMHACOBXCAVQJ-DHZHZOJOSA-N 368.776 2.781 30 40 FFEB CC(C)(C)c1cc(O)c(O)c(CN2CCN(c3ncccc3C#N)CC2)c1 9952973 RJPAQQKJNDTMPI-UHFFFAOYSA-N 366.465 2.984 30 40 FFEB CCN(CC(=O)Nc1ccc(CC#N)cc1)S(=O)(=O)c1ccc(C)cc1 226071724 AAJAUXNULNQKLK-UHFFFAOYSA-N 371.462 2.710 30 40 FFEB CN(CC(C)(C)C#N)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 590493402 JJWJRNJYMNQGSO-UHFFFAOYSA-N 354.859 2.654 30 40 FFEB O=C(CSc1ccc(F)cc1)NCC#CCOc1ccc2c(c1)OCO2 90730869 QJMJYSDFIZUNJB-UHFFFAOYSA-N 373.405 2.845 30 40 FFEB CCOC(=O)c1cc(-c2ccc(/C=N/Nc3nnn[nH]3)o2)ccc1Cl 4150957 FVIDIUSPIAMYBT-CAOOACKPSA-N 360.761 2.736 30 40 FFEB COc1ccccc1-n1cc(C(=O)c2cc(C)ccc2O)cc(C#N)c1=O 3251008 RSHKAZCHIPVQPI-UHFFFAOYSA-N 360.369 2.963 30 40 FFEB CN1CCC(=NNc2nc(Nc3ccccc3)nc(N3CCCC3)n2)CC1 6388585 SBDJJZORVQSXPQ-UHFFFAOYSA-N 366.473 2.709 30 40 FFEB Cc1ccsc1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 34863172 KXLPZTGRVWCIDX-UHFFFAOYSA-N 363.464 2.779 30 40 FFEB O=C1Nc2cc(SCc3ccccc3)ccc2/C1=N/N1CCOCC1 43913157 XEFZNPVDEMTLDS-UHFFFAOYSA-N 353.447 2.967 30 40 FFEB CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 118933641 UJCIAYKVFFBSLE-LWWSSTOXSA-N 364.457 2.757 30 40 FFEB C[C@@H](O)c1ccc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1 12896583 CPHWUMXMUBTWBO-CQSZACIVSA-N 350.422 2.862 30 40 FFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](CC(=O)O)c1ccc(F)cc1 13178011 UMELNAGCKZSUAU-SJKOYZFVSA-N 356.353 2.797 30 40 FFEB C=CCN1C(=O)N/C(=C/c2cc(Br)ccc2OCC)C1=O 409137935 XIWOETOAHDSHPT-FMIVXFBMSA-N 351.200 2.927 30 40 FFEB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C#N)cc1O 9497510 AGZUXNRVQDTXBH-LLVKDONJSA-N 369.333 2.665 30 40 FFEB O=S(=O)(/N=C(\O)c1cnc([C@H]2CCCO2)s1)c1ccc(F)cc1 89963784 BRJNNGRXCSCCLD-LLVKDONJSA-N 356.400 2.827 30 40 FFEB COc1cccc(N2CC[C@H](C/N=C(/O)N3CCOCC4(CCC4)C3)C2)c1 329554365 GRLBOHOFCFICFT-QGZVFWFLSA-N 373.497 2.938 30 40 FFEB COc1cccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(OC)cc2OC)c1 5408840 JGRNGXSCNRRJQZ-KRWDZBQOSA-N 369.373 2.578 30 40 FFEB O=C(C[C@H]1S/C(=N\c2ccccc2)N(CCO)C1=O)Nc1ccccc1 18188042 PKJXWDSYNWYWFJ-BSBNDGSWSA-N 369.446 2.639 30 40 FFEB C=CCNc1oc(-c2ccc(S(=O)(=O)N(CC)CC)cc2)nc1C#N 12421057 ANAVSZWQGXCSEI-UHFFFAOYSA-N 360.439 2.842 30 40 FFEB N#Cc1ccccc1NC(=O)CN1CCC(C(=O)N2CCCCCC2)CC1 12767593 AMXNJPMZDPVPCN-UHFFFAOYSA-N 368.481 2.611 30 40 FFEB C/C(=C\C(=O)c1ccc(Cl)cc1)NCc1ccc(S(N)(=O)=O)cc1 6652298 UJUIHFPTPYDYQI-ZRDIBKRKSA-N 364.854 2.864 30 40 FFEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1/C=N/Cc1ccccc1 408538236 ZLDWEVVIUJVFGO-BBJIBYMTSA-N 355.781 2.810 30 40 FFEB C=CCOc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(F)cc2)cc1 224925323 BHSMEDJHZNBWQT-UHFFFAOYSA-N 365.382 2.670 30 40 FFEB C=CCN1C(=O)/C(=C/c2cccn2-c2ccc(C)cc2)C(=O)NC1=S 220523445 PXJUXBBUNWOOEA-FOWTUZBSSA-N 351.431 2.598 30 40 FFEB O=C(O)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F 17251006 VXACKQBNPITTFH-KRWDZBQOSA-N 369.348 2.879 30 40 FFEB COc1ccc(-n2c(=O)[nH]c(O)c(/C=N\c3ccccc3Cl)c2=O)cc1 101760773 YYPDEPOGXYLNGA-JMIUGGIZSA-N 371.780 2.644 30 40 FFEB Cc1[nH]c(=O)nc(SCC(=O)Nc2ccccc2C(C)(C)C)c1C#N 32776380 PZXYBPVRHPLIMD-UHFFFAOYSA-N 356.451 2.978 30 40 FFEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1c(C)cccc1C 101309895 KRSNXWFYRSSFDA-AUVQNDJMSA-N 366.508 2.705 30 40 FFEB CC[C@@H](C)/N=C(/N)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 58213958 GNTPYFFVEJLPJY-GFCCVEGCSA-N 358.408 2.745 30 40 FFEB Cc1oc(-c2ccccc2)nc1CC(=O)N(CCC#N)CCCN(C)C 69576408 WZPAGNVOCWAPSX-UHFFFAOYSA-N 354.454 2.887 30 40 FFEB Cc1cc(C)nc(N/N=C(/c2cccc([N+](=O)[O-])c2)c2nccn2C)n1 4864881 WAFDKTZCCYAMSQ-QNGOZBTKSA-N 351.370 2.600 30 40 FFEB C[C@H](NS(=O)(=O)c1cnn(Cc2ccccc2)c1)c1ccc(C#N)cc1 119960388 YWOWVQVIDAHQOK-HNNXBMFYSA-N 366.446 2.843 30 40 FFEB N#Cc1ccc(CN2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)cc1 40105799 FJAWFYPDBIRJTR-UHFFFAOYSA-N 366.421 2.663 30 40 FFEB CO[C@@H]1CCC[C@@H]1CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 579743877 MZTRYKAOLPQPSD-VQIMIIECSA-N 359.445 2.845 30 40 FFEB COCCOc1cc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)ccn1 253472772 PIDCCOKBTOLXPQ-UHFFFAOYSA-N 365.433 2.804 30 40 FFEB COc1ccc(OC)c([C@@H]2NC(=O)C(O)=C2C(=O)c2ccc(C)cc2)c1 4901558 ZMQDINYFJAHYEV-KRWDZBQOSA-N 353.374 2.878 30 40 FFEB Cc1nc(NC(=O)CNC(=O)c2ccccc2F)sc1SCC#N 53650044 MFJOLHLTJLACGG-UHFFFAOYSA-N 364.427 2.575 30 40 FFEB Cc1ccc(NNc2nc3nonc3nc2N/N=C\c2ccco2)cc1 107645372 QEDPVCLCXHMUJA-MFOYZWKCSA-N 350.342 2.799 30 40 FFEB Cc1c(/N=C/c2cccc([N+](=O)[O-])c2O)c(=O)n(-c2ccccc2)n1C 2269953 FWFFZVCINGDNQW-YBFXNURJSA-N 352.350 2.849 30 40 FFEB C=CCn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C 4103002 PCDOGCCIKFSLNB-UHFFFAOYSA-N 362.842 2.555 30 40 FFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 65814131 ORNPIOCPWZFNCZ-RYTJFDOTSA-N 353.466 2.833 30 40 FFEB CNC(=O)N(O)[C@H]1N(/N=C/c2ccccc2F)C(=S)SC1(C)C 4795128 FQFXYXRWBLMMHW-SXGUVYOMSA-N 356.448 2.629 30 40 FFEB CCOc1cc(/C=N/NC(N)=S)ccc1Oc1nc(Cl)ncc1F 5906598 ZUKZLORLVDSFJJ-KPSZGOFPSA-N 369.809 2.627 30 40 FFEB CCOC[C@@]1(C#N)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)CC 218201841 YVECZIITEUXQBV-ILXRZTDVSA-N 372.284 2.896 30 40 FFEB C=CCN1CCN(c2nc(SC)c(C#N)c3c2COC(C)(C)C3)CC1 95472062 XUSGHEFWXBHUTE-UHFFFAOYSA-N 358.511 2.834 30 40 FFEB CCSc1ccccc1C(=O)NCC#CCOc1ccccc1C(N)=O 90610536 JNRKYBWQMCNKIN-UHFFFAOYSA-N 368.458 2.710 30 40 FFEB Cc1cc(S(=O)(=O)N2CCCN(c3ccccc3)CC2)ccc1C#N 618176579 XYYDEOOQASNLTP-UHFFFAOYSA-N 355.463 2.768 30 40 FFEB C=CCc1cc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)ccc1OC 14398942 GNHHNNTZTPFCGR-UHFFFAOYSA-N 351.406 2.866 30 40 FFEB N#Cc1cc(Br)cnc1N1CCC[C@H](COc2cnccn2)C1 2298188901 FEJCCYIHWHRLMD-LBPRGKRZSA-N 374.242 2.801 30 40 FFEB CCOc1ccccc1N1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 35334021 PIBSXLSZUHUTKB-UHFFFAOYSA-N 370.497 2.550 30 40 FFEB CCOc1cc(/C=N/n2c(SC)nnc(C(C)(C)C)c2=O)ccc1O 26441906 RRVZJVNIAFDFIX-VCHYOVAHSA-N 362.455 2.644 30 40 FFEB Cc1ccc(/N=C(/C[N+](=O)[O-])NN/C=C2\OC(=O)c3ccccc32)cc1 5212473 JQMGPKXHVFBTSL-YBEGLDIGSA-N 352.350 2.565 30 40 FFEB COC(=O)c1cn(CC(=O)Nc2ccc(OCC#N)cc2)c2ccccc12 23789235 IUOIPHFKIVNHFR-UHFFFAOYSA-N 363.373 2.969 30 40 FFEB COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C#N)cc1 218117419 QNSADAPKWAPAFK-GVDBMIGSSA-N 362.838 2.509 30 40 FFEB COC(=O)CCNc1ccc(C(=O)Nc2cccc(C#N)c2)cc1[N+](=O)[O-] 33012138 OZUKXKXQIHZVCD-UHFFFAOYSA-N 368.349 2.694 30 40 FFEB N#Cc1nccnc1O[C@@H]1CCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 225802262 XHEGWURTHHGJTI-YFCVBGDOSA-N 354.797 2.695 30 40 FFEB O=C1C(Br)=C(Br)C(=O)c2c1cccc2[N+](=O)[O-] 196150175 YQGBOEPJAJXYOA-UHFFFAOYSA-N 360.945 2.975 30 40 FFEB Cc1cc(NC(=O)N2CC[C@](F)(C#N)C2)ccc1-n1nnnc1C(C)C 615549832 OARMDEKLEDXQEV-KRWDZBQOSA-N 357.393 2.564 30 40 FFEB CC1=CC(=O)/C(=C\N2C(=O)/C(=C\c3cccc(O)c3)SC2=S)C(=O)O1 5855720 XWRJSXFGIHCWRZ-PPJIMLGUSA-N 373.411 2.507 30 40 FFEB COc1ccc(/C=C2\Oc3cc(OCC(=O)O)ccc3C2=O)cc1OC 12890027 OYUZJJUVKBNAII-IUXPMGMMSA-N 356.330 2.783 30 40 FFEB biogenic,in-vitro C=C(C)CN1CCN(C(=O)C2CCN(Cc3ccc(F)cc3)CC2)CC1 13996203 FJVLYTXKDAYGLP-UHFFFAOYSA-N 359.489 2.758 30 40 FFEB CCn1cnnc1-c1cccc(NS(=O)(=O)c2cccc(C#N)c2)c1 32096180 GTBXZHSBURNZFM-UHFFFAOYSA-N 353.407 2.637 30 40 FFEB COc1ccc2c(c1)OC[C@@H](/C(O)=N/S(=O)(=O)C1CCCCC1)C2 50206910 YBWMXBRKNXMHIQ-ZDUSSCGKSA-N 353.440 2.865 30 40 FFEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)ccc1C 101312876 NKQUDKCPKGZFEQ-NHYXNVPJSA-N 366.508 2.705 30 40 FFEB C=CCOc1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1OC 48285584 DFAIYDRVEQRPAI-UHFFFAOYSA-N 356.426 2.508 30 40 FFEB Cc1cccc(N/N=C2/C(=O)N(C(N)=S)N=C2c2ccccc2)c1C 100538358 MDCXISDQEOWNPM-LTGZKZEYSA-N 351.435 2.561 30 40 FFEB Cc1nn(CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c(=O)c(C#N)c1C 19355016 QTRASCASEASCTE-INIZCTEOSA-N 364.449 2.559 30 40 FFEB COC(=O)c1oc(CO/N=C(/N)c2ccnc(N3CCCCC3)c2)cc1C 64430457 UBYJIYXLRNWNBV-UHFFFAOYSA-N 372.425 2.597 30 40 FFEB Nc1c(Cl)ncnc1N/N=C/c1ccc(OC(=O)c2ccco2)cc1 5340810 WXFYRYCQMOSMRB-ODCIPOBUSA-N 357.757 2.970 30 40 FFEB C=C(C)CN1C(=O)[C@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 6614182 RHISCDXBTUHUMT-FQEVSTJZSA-N 366.373 2.978 30 40 FFEB N#CCC(=O)Nc1ccc(C(=O)OCC(=O)NC2CCCCCC2)cc1 6929764 AKRWJCVCJJHBFM-UHFFFAOYSA-N 357.410 2.535 30 40 FFEB N#Cc1cccnc1N1CCCN(C(=O)N[C@H]2C[C@H]2c2ccccc2)CC1 67619749 ITTQQOYQWLCYAU-OALUTQOASA-N 361.449 2.731 30 40 FFEB CC/N=C1\S[C@H](CC(=O)Nc2ccc(OC(F)F)cc2)C(=O)N1CC 16809809 UASCXDMRKLYMSO-QCJHYCHESA-N 371.409 2.956 30 40 FFEB N#Cc1c(NC(=O)[C@@H]2CCS(=O)(=O)C2)sc2c1-c1ccccc1CC2 89857662 XWESMFKKMZHHPN-GFCCVEGCSA-N 372.471 2.759 30 40 FFEB C#Cc1cccc(NC(=O)CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 40151971 YCGPCSXKWAQOEP-UHFFFAOYSA-N 357.753 2.598 30 40 FFEB N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)NCc2cccs2)CC1 252523058 BTHACSCURPSRMP-JOCQHMNTSA-N 357.439 2.599 30 40 FFEB C[C@@H](NCc1cc(O)n2ncc(C#N)c2n1)c1cccc(N2CCCC2)c1 1657960977 LRUTWNXRLNMVKF-CQSZACIVSA-N 362.437 2.758 30 40 FFEB CCNC(=S)N/N=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 5979471 OOBXENYNDSZMBH-YBFXNURJSA-N 358.423 2.992 30 40 FFEB N#Cc1cccc(N2CCC[C@]3(CN(C(=O)C4(F)CCC4)CCO3)C2)c1 1565547259 HPOKFFMWTVIIHO-LJQANCHMSA-N 357.429 2.648 30 40 FFEB COc1cc(C(=O)[C@@]2(C)O[C@]2(C)C(=O)c2ccc(O)c(OC)c2)ccc1O 49181265 ZDJWTWORZULMCQ-WOJBJXKFSA-N 372.373 2.728 30 40 FFEB biogenic,in-vitro N#Cc1cc2c(N)c(C(=O)NCCc3ccc(Cl)cc3)sc2nc1N 20029547 DBZSLPZWWIDBGX-UHFFFAOYSA-N 371.853 2.958 30 40 FFEB COC1(OC)[C@@H](/C=C/c2ccc(Cl)cc2)C(C#N)(C#N)C1(OC)OC 721497 WTXBTYXCVPLYNX-VSGCLNPGSA-N 362.813 2.995 30 40 FFEB N#Cc1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)cc1Cl 57363899 UYTGQTMJYIDZED-UHFFFAOYSA-N 354.841 2.972 30 40 FFEB C=CCN(CC(F)(F)F)C(=O)Nc1cccc(Cn2cccnc2=O)c1 58293391 PEIKQYFZNBFKNO-UHFFFAOYSA-N 366.343 2.874 30 40 FFEB COc1ccccc1OCCC(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 12796309 PEWRYUSGWODXET-AWEZNQCLSA-N 368.389 2.906 30 40 FFEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1c(C)cccc1C 5338813 KRSNXWFYRSSFDA-NERIXLHVSA-N 366.508 2.705 30 40 FFEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1cc(F)ccc1F 7027625 FTQOCVVIAGJJKY-UHFFFAOYSA-N 352.362 2.681 30 40 FFEB CC(C)C(=O)C1=Cc2cc(Cl)cc([N+](=O)[O-])c2O[C@H]1N1CCOCC1 19994792 QCMJEZYDBYHJTD-QGZVFWFLSA-N 366.801 2.907 30 40 FFEB N#Cc1c(NC(=O)c2cnc3sccn3c2=O)sc2c1CCCC2 28232943 LUGAFUPVUVHMTC-UHFFFAOYSA-N 356.432 2.820 30 40 FFEB COc1ccc2c(c1)OC[C@@H](/N=C(/O)N1CCN(c3cccs3)CC1)C2 329025312 VETWEHXRFDYPBE-HNNXBMFYSA-N 373.478 2.796 30 40 FFEB CCCc1nn2c(/C=N/NC(=S)NC)c(-c3ccccc3)nc2s1 41074143 CZYWMHARTSSUEK-VCHYOVAHSA-N 358.496 2.838 30 40 FFEB N#Cc1ccccc1N1CCCN(CC(=O)Nc2ccc(F)c(F)c2)CC1 48375122 HBCMJOXICGMKSX-UHFFFAOYSA-N 370.403 2.987 30 40 FFEB O=C(C[C@@H]1S/C(=N\c2ccccc2)N(CCO)C1=O)Nc1ccccc1 18127986 PKJXWDSYNWYWFJ-XOMICKMZSA-N 369.446 2.639 30 40 FFEB O=C(O)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1F 13207865 VXACKQBNPITTFH-QGZVFWFLSA-N 369.348 2.879 30 40 FFEB C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)N1CCNC1=O 58179786 VXPATVVVUQNLMU-CYBMUJFWSA-N 350.378 2.703 30 40 FFEB C[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc(-n2ccnc2)cc1 7050231 RWYFXRCXEWSQIS-AWEZNQCLSA-N 352.419 2.783 30 40 FFEB C=CCN1C(=O)/C(=C\c2ccc(OCC(=O)O)c(OC)c2)SC1=S 2119652 XBJZZPKYSHLILW-MDWZMJQESA-N 365.432 2.546 30 40 FFEB Cc1c(C(=O)NCCCc2[nH]nc(N)c2C#N)oc2c(Cl)cccc12 9608053 JXGWVJANPPVPSJ-UHFFFAOYSA-N 357.801 2.934 30 40 FFEB COc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 408535236 NHCUDNAZTZUJOS-HNNXBMFYSA-N 371.780 2.950 30 40 FFEB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(Br)cc1 222346572 URPZHFWDRVPDSQ-WZKHMYOMSA-N 371.234 2.836 30 40 FFEB COC1(OC)N=C(N)[C@@]2(C#N)[C@@H](c3cccc(Oc4ccccc4)c3)[C@]12C#N 100168646 XVNXFLCFBRUWDE-RLLQIKCJSA-N 374.400 2.913 30 40 FFEB CCC[C@@H]1[C@H](c2ccc(OC)cc2)C(C#N)(C#N)[C@]2(C#N)C[C@@]1(N)N=C2O 13718489 JQQIKQWMRUJFLZ-NDUPCHFUSA-N 363.421 2.767 30 40 FFEB N#Cc1ccc(C(=O)N(C(=O)c2ccc(C#N)cc2)c2ncccn2)cc1 3299036 QHHDHQULFLEDFR-UHFFFAOYSA-N 353.341 2.707 30 40 FFEB C[C@H](C#N)CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 45851227 WZSSIELWEXXHOJ-CQSZACIVSA-N 357.435 2.719 30 40 FFEB C=C(Cl)CS(=O)(=O)NC(=O)c1ncoc1-c1ccccc1Cl 95997328 SPRSICOFUUCWFJ-UHFFFAOYSA-N 361.206 2.807 30 40 FFEB C#CCOC(=O)c1ccccc1-c1nn2c(C(F)(F)F)nnc2s1 73642784 CEGLBOLXOSSTEK-UHFFFAOYSA-N 352.297 2.662 30 40 FFEB Cc1cc(C)n([C@@H](C)CC(O)=Nc2ccc(N3CCN(C)CC3)nc2)n1 328854591 WMIYCCZSTCVZNI-INIZCTEOSA-N 356.474 2.886 30 40 FFEB CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccc(C#N)cc2)c1 6680443 XBVLTRZCWRUYLS-UHFFFAOYSA-N 363.464 2.903 30 40 FFEB Cn1nc(C(F)(F)F)c(C#N)c1N1CCN(c2ccccc2F)CC1 3116848 BRJPORQEMHPDBK-UHFFFAOYSA-N 353.323 2.776 30 40 FFEB N#C[C@H](COC(=O)[C@@H]1CCCN(c2ncccn2)C1)Cc1ccc(F)cc1 108069075 BRAWFTFGYSVNOJ-IAGOWNOFSA-N 368.412 2.758 30 40 FFEB NS(=O)(=O)c1ccc(N/N=C/c2ccccc2Br)cc1 5754059 DHVASYAXQYJYCL-CXUHLZMHSA-N 354.229 2.543 30 40 FFEB CCCn1c(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)n[nH]c1=O 7526838 HVWFNIZFRKAPNN-UHFFFAOYSA-N 373.482 2.637 30 40 FFEB CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1cc(C#N)ccn1 97363579 PXGWGMYOKLWPPW-UHFFFAOYSA-N 352.419 2.809 30 40 FFEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(F)cc3)[C@@]2(C#N)C(=O)O)cc1 218436619 FSORBNMCXYQMGS-SOLBZPMBSA-N 359.378 2.668 30 40 FFEB N#Cc1nccnc1O[C@@H]1CCCN(C(=O)NCCCc2ccccc2)C1 225489268 QCYKPERVXCOSKW-QGZVFWFLSA-N 365.437 2.534 30 40 FFEB C=CCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)c2c(O)n[nH]c2C[C@]1(C)O 239339169 LUAULMSEBPVYAT-YEWWUXTCSA-N 362.813 2.553 30 40 FFEB COc1ccc(C#N)cc1CN1C[C@H](OC)C[C@H]1COc1cccnc1 1775957092 CFEUFSJTJJYEKP-PKOBYXMFSA-N 353.422 2.630 30 40 FFEB CCc1nnc(N/N=C/c2cccc(OC)c2OCc2ccccc2)n1N 5719466 GYKAPLAECIDJEP-CIAFOILYSA-N 366.425 2.588 30 40 FFEB O=C1/C(=C/c2ccc(C(=O)O)cc2)CNC/C1=C\c1ccc(C(=O)O)cc1 5809206 OFXHXWJTICAGGD-BEQMOXJMSA-N 363.369 2.722 30 40 FFEB CCN(CC)c1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)c(O)c1 5393285 GIVJSVJLMXCJPK-CPNJWEJPSA-N 361.467 2.859 30 40 FFEB Cc1nc2ccccc2nc1N1C[C@H]2CN(c3ncccc3C#N)C[C@@H]2C1 2086867343 LROFOMIOZXQDIP-IRXDYDNUSA-N 356.433 2.778 30 40 FFEB CCOC(=O)c1c(C)oc2ncn(Cc3cc(C#N)ccc3F)c(=O)c12 29891942 GQOWPGZVFFNMSX-UHFFFAOYSA-N 355.325 2.534 30 40 FFEB N#Cc1c(F)cccc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 57877327 ZRRDAUGWLBVAKV-UHFFFAOYSA-N 353.397 2.791 30 40 FFEB O=C(/C=C/Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(F)(F)F 3230733 RJXXZNMTWKTGSK-CMDGGOBGSA-N 362.373 2.918 30 40 FFEB Cc1nc(C2(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)CCCCC2)no1 12920131 PBWFDRORULLVMN-CYBMUJFWSA-N 354.410 2.993 30 40 FFEB COc1cc(/C=N/Nc2nc(=O)c(C)n[nH]2)ccc1OCc1ccccc1 16696099 BQZPXUVIXUZWSQ-RGVLZGJSSA-N 365.393 2.507 30 40 FFEB CC(C)(C)c1cc(=NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)[nH][nH]1 588304020 NPQNZAMVMZSECT-UHFFFAOYSA-N 369.444 2.995 30 40 FFEB Cc1ccc(N(CCC#N)C(=O)CN2C(=O)c3ccccc3C2=O)cc1C 12983476 ILPWAPOLDSDFJQ-UHFFFAOYSA-N 361.401 2.846 30 40 FFEB N#Cc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc1 4383849 DJLZRCFSOKPLHW-LFIBNONCSA-N 369.446 2.997 30 40 FFEB COc1cc([C@H]2C(C(C)=O)=C(C)Nc3ncnn32)ccc1OC(F)F 1460539 IYIKPYUTFLHAKS-AWEZNQCLSA-N 350.325 2.766 30 40 FFEB COc1ccc(C[C@H]2SC(N/N=C/c3ccccc3O)=NC2=O)cc1 18209450 UFVSIGBVCBLHLF-YDDPGSGASA-N 355.419 2.565 30 40 FFEB C#CCn1/c(=N/C(=O)c2ccccc2OC)sc2cc([N+](=O)[O-])ccc21 100875452 FSPSWEJVGSVQRH-HNENSFHCSA-N 367.386 2.994 30 40 FFEB COc1ccc(OC)c(CN2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1 24664432 RYGJRKIIYMUEGR-UHFFFAOYSA-N 365.433 2.533 30 40 FFEB CCOC(=O)C(CC#CCN1CCCC[C@H]1c1cccnc1)C(=O)OCC 61999400 BJQPESVQPROFRD-IBGZPJMESA-N 372.465 2.745 30 40 FFEB biogenic COc1ccc(OCc2nc(C#N)c(NCCCn3ccnc3)o2)cc1 2204454 SXQNQBOPVUYJCU-UHFFFAOYSA-N 353.382 2.833 30 40 FFEB C[C@H]1CN(Cc2csc(NC(=O)c3ccc(C#N)cc3)n2)C[C@@H](C)O1 12935494 KSGZFBQBFQSINM-BETUJISGSA-N 356.451 2.876 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccco1 15107743 RIWHHPGYXMRLRB-INIZCTEOSA-N 357.362 2.513 30 40 FFEB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1 7054081 ZLKRFLCHLAYXIR-UHFFFAOYSA-N 357.435 2.841 30 40 FFEB N#Cc1ccccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)o1 409124859 DDHWLYGLZKGJBE-VGOFMYFVSA-N 354.343 2.939 30 40 FFEB N#Cc1ccccc1CS(=O)(=O)/N=C(\O)C1=Cc2ccccc2OC1 71804257 NUGRBKFYWBQJIT-UHFFFAOYSA-N 354.387 2.821 30 40 FFEB C=CCN(CC1=C(C(=O)OCC)[C@H](CC)NC(=O)N1)Cc1cccs1 23324350 JBHXGLVYYDXUPU-AWEZNQCLSA-N 363.483 2.645 30 40 FFEB N#Cc1ccc(S(=O)(=O)N2CC[C@H](c3nc4ccccc4[nH]3)C2)cc1 35442871 LPKZAYNQZLMYDO-AWEZNQCLSA-N 352.419 2.613 30 40 FFEB biogenic,in-vitro COC[C@@]1(C#N)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218153956 NIVOSQLITCKFAG-QYZOEREBSA-N 371.414 2.511 30 40 FFEB Cc1[nH]c(=O)nc(SCC(=O)N[C@H](C)c2cc3ccccc3o2)c1C#N 32776412 JISBKRXFDVJEMZ-LLVKDONJSA-N 368.418 2.666 30 40 FFEB CCO/C(O)=N/c1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)s1 32891732 WPQQINHGEMCNMW-ZJUUUORDSA-N 358.489 2.907 30 40 FFEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C(=O)NC(N)=O)C(C)C)n1 12528628 QFBHBLVFJYOXJW-JTQLQIEISA-N 360.361 2.592 30 40 FFEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 5516323 KPEQTZRZUOPQFM-OJVXUPTESA-N 372.899 2.742 30 40 FFEB N#CCSc1nc(=O)c2c(n1Cc1ccco1)NCN(C1CCCC1)C2 4745243 UKKYPCNXHZISKD-UHFFFAOYSA-N 371.466 2.628 30 40 FFEB C=CCCC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 72282670 MMGRBJOBFHIMMI-LBPRGKRZSA-N 366.259 2.987 30 40 FFEB N#Cc1cc([N+](=O)[O-])cn(CC(=O)Nc2ccc(-c3ccccc3)cc2)c1=O 7534637 FMPAWMJNTGZWCU-UHFFFAOYSA-N 374.356 2.934 30 40 FFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(S(C)(=O)=O)cc1 20006358 RCJSCAPSOFZAPX-UHFFFAOYSA-N 369.402 2.906 30 40 FFEB N#C[C@@]1(CO)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218502281 PAXUACGNGUBZNW-IXDOHACOSA-N 365.813 2.921 30 40 FFEB N#Cc1ccnc(N2CCN(C(=O)CCc3ccc(Cl)cc3)CC2)c1 30943636 FCNYUAXVCNBMKN-UHFFFAOYSA-N 354.841 2.888 30 40 FFEB COc1ccc2oc(C(=O)OCC(=O)N[C@@](C)(C#N)C3CC3)c(C)c2c1 7737226 ALOPVHGRHBAQCX-IBGZPJMESA-N 356.378 2.715 30 40 FFEB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)CO)cc1 218376667 UXFDVQWDMPUCPL-HSALFYBXSA-N 355.459 2.999 30 40 FFEB Cc1ccc(CN2C[C@H]3CN(Cc4ccc(C#N)cc4)CCN3C2=O)cc1 85436236 ZVYZQDIIYKNJGQ-OAQYLSRUSA-N 360.461 2.989 30 40 FFEB biogenic,in-vitro CC(C)C(=O)N1CCCC[C@@H]1C(=O)NCCSCc1ccccc1C#N 55037876 YGZDRZBBJAMRSI-GOSISDBHSA-N 373.522 2.945 30 40 FFEB COC(=O)c1ccc(NC(=O)[C@@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1 4119700 UVNYFOSWJHXILN-FROQITRMSA-N 370.327 2.521 30 40 FFEB COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(C#N)cc2F)cc1[N+](=O)[O-] 8560708 XQMQHPVFEHSWLQ-UHFFFAOYSA-N 360.257 2.775 30 40 FFEB COc1ccc(OC)c([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)c1 804247 MEFHEFYVURXKKB-QGZVFWFLSA-N 354.410 2.953 30 40 FFEB CC(=O)NCCCc1ccc(C(=O)COC(=O)c2cccc(C#N)c2)cc1 5084412 GYVHKPNHWRNSSL-UHFFFAOYSA-N 364.401 2.667 30 40 FFEB Cc1csc(C2=C(N)N(C3CCN(Cc4ccccc4)CC3)CC2=O)n1 13728337 LQEIECJQOKYURM-UHFFFAOYSA-N 368.506 2.628 30 40 FFEB N#Cc1ccc(OCCN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1 14200310 WGPUJTARVGCKSV-LJQANCHMSA-N 374.400 2.581 30 40 FFEB COC(=O)c1ccc(NS(=O)(=O)/N=C(\O)c2c[nH]c3ccccc23)cc1 6757849 FMDHWDRIKMRKCX-UHFFFAOYSA-N 373.390 2.616 30 40 FFEB C=CCN1CC(=O)C(c2nc(-c3ccc(OC)c(OC)c3)cs2)=C1N 9576121 GDJGUVQEEOQXSP-UHFFFAOYSA-N 357.435 2.525 30 40 FFEB C#CCOc1c(Cl)cc(/C=N/n2c(C)nnc2S)cc1OCC 408881570 NCTGGUCDQBEUJR-RQZCQDPDSA-N 350.831 2.822 30 40 FFEB Cc1ccc(/C(O)=N/S(=O)(=O)c2c(Cl)cccc2Cl)c(=O)[nH]1 62674918 QPLCOVNXVUWDFN-UHFFFAOYSA-N 361.206 2.684 30 40 FFEB Oc1ccc2ccccc2c1/C=N\Nc1ncc(F)c(N2CCOCC2)n1 55134772 OQGJWSSCBQFMBN-JJFYIABZSA-N 367.384 2.757 30 40 FFEB C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccn(CCc2ccncc2)n1 58228353 UXUBBNQOETYMEG-HNNXBMFYSA-N 361.405 2.798 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 5445521 DYOKPQDAEBAPNP-MRXNPFEDSA-N 368.345 2.812 30 40 FFEB CCOC(=O)[C@]1(C#N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218366016 LFFVDKQMSSURFX-ZIFCJYIRSA-N 373.405 2.838 30 40 FFEB CNC(=S)N/N=C/c1ccc(OCCCOc2ccccc2OC)cc1 41077973 TYFZZYCWPVSEOZ-KGENOOAVSA-N 373.478 2.971 30 40 FFEB Cc1ccsc1CCC(=O)N1C[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]2C1 1888865623 FVDVAWFZOJHYKG-CALCHBBNSA-N 366.490 2.851 30 40 FFEB COc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C)nn32)cc1OC 22608107 BWZFWAVMLSCTEX-XTZNXHDOSA-N 354.410 2.872 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccc(OC)cc2)cc1 5445549 VWFXPEAKVPRGCC-KRWDZBQOSA-N 353.374 2.912 30 40 FFEB biogenic O=C(C[C@H]1S/C(=N/c2ccccc2)NC1=O)Nc1ccc([N+](=O)[O-])cc1 18123153 KRHYEZPQTBKOPF-CQSZACIVSA-N 370.390 2.843 30 40 FFEB N#CCCN(C(=O)CN1CCC[C@H]1c1nnc2ccccn12)c1ccccc1 52685955 AOOYOPQAMOZISU-SFHVURJKSA-N 374.448 2.813 30 40 FFEB N#Cc1c(NC(=O)COC(=O)c2ccccc2N)sc2c1CCCC2 6971653 ULPCZVXMJOYMCB-UHFFFAOYSA-N 355.419 2.876 30 40 FFEB CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 847048 QWMOLEGEILBCGX-MRXNPFEDSA-N 354.318 2.789 30 40 FFEB N#Cc1cc(NCC(=O)NC2(C#N)CCCC2)ccc1OCC(F)(F)F 55849864 PZYGSTKVIYODLS-UHFFFAOYSA-N 366.343 2.864 30 40 FFEB C=CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)C1CCCC1 55801134 FWBPVKIDIIZVRD-UHFFFAOYSA-N 374.462 2.564 30 40 FFEB CCOc1ccc(/C=N/OCC(=O)Nc2cccc(C#N)c2)cc1OC 5397199 QXPMMLOAPGSPGO-CIAFOILYSA-N 353.378 2.955 30 40 FFEB COc1cc(C#N)ccc1O[C@@H](C)C(=O)c1ccc(CNC(C)=O)s1 9050769 VSTFGUASSZMFOD-NSHDSACASA-N 358.419 2.915 30 40 FFEB CCc1nn(Cc2coc(-c3cccc(OC)c3)n2)c(=O)c(C#N)c1CC 601077133 MXXXXMGDCZIZBB-UHFFFAOYSA-N 364.405 2.952 30 40 FFEB CN1CCN(C(=O)c2ccc(-n3ccnc3)c(C#Cc3ccccc3)c2)CC1 12221363 NSVOQUFRRWEDDE-UHFFFAOYSA-N 370.456 2.660 30 40 FFEB CCOc1ccc(OCCC(=O)OCC(=O)Nc2cccc(C#N)c2)cc1 15225330 UIYYJAMBIOBLLU-UHFFFAOYSA-N 368.389 2.908 30 40 FFEB O=C1NC2(CCCCC2)C(=O)N1/N=C/c1cc(Br)ccc1O 3527409 NSFFQHYFLCNZSY-RQZCQDPDSA-N 366.215 2.743 30 40 FFEB Cc1c(C)c(C)c(S(=O)(=O)N/N=C\c2cccc(O)c2O)c(C)c1C 32575642 CHGQBIFOUJHZMF-OCKHKDLRSA-N 362.451 2.952 30 40 FFEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccc(F)cc1 102934792 CFXWEXPWXPHNPE-UYTDBDHRSA-N 359.353 2.877 30 40 FFEB CC(=O)Nc1ccc(S(=O)(=O)/N=C(\O)c2ccc3c(c2)CCC3)cc1 42234737 BZZBKBWEMILQRQ-UHFFFAOYSA-N 358.419 2.827 30 40 FFEB Nc1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 24506623 KCMQMVUCOHESTF-UHFFFAOYSA-N 363.295 2.977 30 40 FFEB CC(=O)c1ccccc1OCCN(C)S(=O)(=O)Cc1ccccc1C#N 12950931 SIVJMWXHFDAKCD-UHFFFAOYSA-N 372.446 2.601 30 40 FFEB CNC(=O)c1nnn(/N=C\c2ccc(Cl)cc2)c1OCc1ccccc1 33337985 BCXIOAJZONZVSQ-NHDPSOOVSA-N 369.812 2.752 30 40 FFEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)cc1 32504494 UNEGKNLCVJCBKL-NHYXNVPJSA-N 366.508 2.787 30 40 FFEB Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1-c1ncn([C@H]2CCCCO2)n1 642882646 YHGLORZOKUZBMS-OAHLLOKOSA-N 370.262 2.647 30 40 FFEB C=CCn1c(=S)[nH]c2cc(C(=O)NCc3cccnc3)ccc2c1=O 8659892 RWKWUTJWWNZIDP-UHFFFAOYSA-N 352.419 2.570 30 40 FFEB C#CC1(OC[C@H](O)CN2CCN(c3ccccc3OC)CC2)CCCCC1 23118507 UWDDRCRFIZGSCD-LJQANCHMSA-N 372.509 2.531 30 40 FFEB in-man COc1ccc(-c2csc(C3=C(N)N(C4CC4)CC3=O)n2)cc1OC 13731354 XQHWBTPUFUGWOT-UHFFFAOYSA-N 357.435 2.502 30 40 FFEB C[C@@H]1Cc2ccccc2N1C(=O)Cn1c(-c2cccnc2)ccc(C#N)c1=O 4931822 WIYKIEWZVPWTRM-OAHLLOKOSA-N 370.412 2.760 30 40 FFEB COc1ccccc1OC/C(O)=N/S(=O)(=O)c1cc(F)ccc1F 46929026 FPFAGUJDIMYBHY-UHFFFAOYSA-N 357.334 2.698 30 40 FFEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[nH]c(=O)c1[C@H]2c1cccc(Cl)c1 4487891 HAWAXKNCHUXFON-ZDUSSCGKSA-N 371.824 2.917 30 40 FFEB C=CCNC(=S)Nc1nc(Sc2ncccn2)cc(C(F)(F)F)n1 225926243 BDNUANJATHJGEH-UHFFFAOYSA-N 372.401 2.909 30 40 FFEB Cc1cc(C)c(C#N)c(SC[C@H](O)C[S@@](=O)Cc2ccccc2)n1 5587723 DJVXXVHSURCWCV-UPCLLVRISA-N 360.504 2.972 30 40 FFEB CN1CCN([C@H](CNC(=O)Nc2ccc(C#N)cc2)c2cccs2)CC1 32779435 JHGADFFXSSXIGW-QGZVFWFLSA-N 369.494 2.730 30 40 FFEB O=C(OCC#CCN1CCCCC1)C(O)(c1ccccc1)c1ccccc1 1897913 IKVAIDGHQFZMHS-UHFFFAOYSA-N 363.457 2.955 30 40 FFEB N#Cc1ccccc1OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 12804992 TZOJJYTWAOETOR-UHFFFAOYSA-N 355.419 2.615 30 40 FFEB N#Cc1c(NC(=O)CCn2ncc(=O)c3ccccc32)sc2c1CCC2 71032712 OLDJPLHQKKBOPJ-UHFFFAOYSA-N 364.430 2.847 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(OC)cc1 6786409 GWORMMGWDKKRAW-INIZCTEOSA-N 373.430 2.981 30 40 FFEB CCC/C(=N\Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 4964462 ZNFGVWCPQMWMAW-NBVRZTHBSA-N 362.411 2.859 30 40 FFEB C=CCNC(=O)COC(=O)c1c(-c2cccs2)csc1NC(C)=O 9954790 QIBHSADKXDFMFK-UHFFFAOYSA-N 364.448 2.894 30 40 FFEB N#Cc1ccccc1CN[C@@H]1CCc2onc(C(=O)NC3CCCC3)c2C1 2055746038 CXAGNQQYCIBQGB-QGZVFWFLSA-N 364.449 2.866 30 40 FFEB Cc1cccnc1OCC1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1775969227 DGLRTAPWZUTHLB-UHFFFAOYSA-N 371.462 2.741 30 40 FFEB Cc1nc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C#N)c(C)c1C 32672356 XLNTZPMWFPMCLQ-UHFFFAOYSA-N 367.434 2.779 30 40 FFEB Cc1cc2n(CC(=O)Nc3sccc3C#N)c(=O)c3ccccc3n2n1 32909159 YCBXOTBKSFTSPJ-UHFFFAOYSA-N 363.402 2.530 30 40 FFEB COC(=O)c1cc(C#N)c(=O)n(CC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1 37207227 AMEKPINLECEOCZ-XOKHGSTOSA-N 374.437 2.511 30 40 FFEB CCCNC(=O)c1cccc(NCC(=O)NC2(C#N)CCCCCC2)c1 55852396 NIAUCXKPBCLYIL-UHFFFAOYSA-N 356.470 2.971 30 40 FFEB CCOc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OCC 104738647 LYDZOLYKZOJSCW-OQDYNDGYSA-N 354.406 2.625 30 40 FFEB N#Cc1nc(NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)[nH]c1C#N 58193138 PBKSBQWUFFRKNW-WDEREUQCSA-N 356.183 2.658 30 40 FFEB CSc1ncccc1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 14232317 VTXPQLRMYHNBPL-KRWDZBQOSA-N 352.463 2.826 30 40 FFEB C=CCN1CCN([C@@H](c2ccc(F)cc2)c2nnnn2C(C)(C)CC)CC1 20140014 GDFKYLDYPZTFAV-SFHVURJKSA-N 372.492 2.850 30 40 FFEB N#Cc1ccc(NC(=O)CN2C(=O)CCOc3ccccc32)cc1Cl 39982787 VRCBZNXBWKRGJW-UHFFFAOYSA-N 355.781 2.966 30 40 FFEB N#C[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218384853 WNNAVPSUXGLJFG-ZOBUZTSGSA-N 361.806 2.874 30 40 FFEB COC(=O)[C@]1(C)CCC[C@]2(C)C3=CC(=O)[C@@]4(C(C)C)O[C@H]4[C@]3(O)CC[C@H]21 5707096 ABKTWBMMVOBXFC-USNCVGSQSA-N 362.466 2.800 30 40 FFEB Cc1ccc(S(=O)(=O)/N=C(\O)Nc2nc(Cl)cc(Cl)n2)cc1 1625081 GWNWAVHATZHNBC-UHFFFAOYSA-N 361.210 2.807 30 40 FFEB N#CC1(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)CCCCC1 35361671 RVLQPXZGNDPCEA-UHFFFAOYSA-N 360.889 2.805 30 40 FFEB COc1ccc(N/N=C2/C(=O)N(c3ccccc3)N=C2C)c([N+](=O)[O-])c1 101413922 VUHMUXNQGNQYIH-KNTRCKAVSA-N 353.338 2.794 30 40 FFEB Cn1nnnc1S[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1 59842462 QJHZHLFRLSXEJG-HNNXBMFYSA-N 350.407 2.554 30 40 FFEB COc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(C)c(C)c3)C2=O)c1 408533806 KTGLKSOWDGUVOK-QGZVFWFLSA-N 365.389 2.914 30 40 FFEB N#Cc1cnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nc1N 22031250 MSMFFBRZDBOXDC-UHFFFAOYSA-N 354.222 2.968 30 40 FFEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1cccc(O)c1 4312402 VSMSORMRCLSBKB-QGZVFWFLSA-N 371.389 2.908 30 40 FFEB biogenic O=[N+]([O-])c1ccc(/N=C(/c2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 4566488 ISDCMUZTQUKRRZ-ZCXUNETKSA-N 356.338 2.914 30 40 FFEB N#Cc1ccc(OCC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1 14349444 WQOMOPODYKPYOU-UHFFFAOYSA-N 360.377 2.564 30 40 FFEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccnc2)no1 9009492 DPDDARBOGDKAPW-HNNXBMFYSA-N 351.318 2.754 30 40 FFEB CCCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(C)o1)C1=C(CCCC1=O)N2 6940119 ODBCVIXLUVZNAN-INIZCTEOSA-N 369.421 2.803 30 40 FFEB Cc1cc(C(F)(F)F)nn1C/C(N)=N/OC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 36612170 NZAMPRBTRXBOGM-TUAOUCFPSA-N 358.364 2.852 30 40 FFEB Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c(C)c1 6509112 SVYAIRAGAJJYMG-KSSFIOAISA-N 372.498 2.814 30 40 FFEB O=C[C@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 225641983 XFKTYRPAPSMLMI-IAOVAPTHSA-N 364.806 2.824 30 40 FFEB COc1ccccc1OCC#CCNC(=O)c1cc(-c2cccs2)n[nH]1 90610333 WLZPOUKMYNNLDX-UHFFFAOYSA-N 367.430 2.959 30 40 FFEB COc1ccc2nc(/C(N)=N/OC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 5880403 GZQZPUBCQWIMJR-UHFFFAOYSA-N 372.362 2.690 30 40 FFEB C=CCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 20766675 QRSXEJKJDPEKJZ-UHFFFAOYSA-N 374.437 2.883 30 40 FFEB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)Oc2ccccc2C#N)cc1 11399891 PPAXGJXHKABIJN-HNNXBMFYSA-N 351.406 2.731 30 40 FFEB O=C(C1=C(C(F)(F)F)Nc2ncnn2[C@@H]1c1cccnc1)c1ccco1 6276624 SLXARACIWAVPKH-GFCCVEGCSA-N 361.283 2.980 30 40 FFEB C[C@@H]1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 65608984 RDCFYHVRFKJSKX-CYBMUJFWSA-N 354.410 2.891 30 40 FFEB C[C@@H](Sc1ncc(C#N)c(N)n1)C(=O)Nc1ccc(F)cc1Cl 7045998 QSXHQLBVAOYVOY-SSDOTTSWSA-N 351.794 2.842 30 40 FFEB CC(=O)/N=C1\NC(=O)/C(=C2/C(=O)N3c4c2cccc4[C@@H](C)CC3(C)C)S1 17016946 LVLSGDDRFJZSMC-BFBVWJMCSA-N 369.446 2.796 30 40 FFEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCSCC4)[C@H]3[C@@H]3O[C@@]132 61996974 CKYQAVNWWXHSSL-CZXYUPSJSA-N 351.512 2.561 30 40 FFEB biogenic O=C(O)C/N=C/c1ccccc1NC(=O)[C@@H]1CCCN1Cc1ccccc1 40571791 JXHNEINEXHQUFF-MEGCXXLRSA-N 365.433 2.793 30 40 FFEB C=CCN1CC[C@]2(CN(C(=O)C3CC=CC3)C[C@H]2c2ccccc2)C1=O 96201902 BKUUKPORTNBDGD-SIKLNZKXSA-N 350.462 2.983 30 40 FFEB Cc1cncc(N=C(O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)c1 330294534 IPROBJROQBCSFM-HNNXBMFYSA-N 353.378 2.802 30 40 FFEB C#C[C@@H](Cc1ccccc1)OC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 95444249 NQYROHFVTMTSMW-PMACEKPBSA-N 362.429 2.722 30 40 FFEB C=CCOc1ccc(/C=C/C(=O)NCc2c(C)cc(C)[nH]c2=O)cc1OC 7118279 OJBPWTMHDIQACT-VQHVLOKHSA-N 368.433 2.895 30 40 FFEB N#Cc1ccc(N2C[C@H]3CN(c4ncccc4C(F)(F)F)C[C@@H]3C2)cn1 1888868576 JQEMGJCQOBGDNL-STQMWFEESA-N 359.355 2.940 30 40 FFEB CCCCc1ccc(N2/C(=N/C(C)=O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 11907277 BIJXVTPAEJMRHK-VAVLMQFESA-N 366.508 2.651 30 40 FFEB C=CCn1c(SCC(N)=O)nc2sc(-c3ccccc3)cc2c1=O 947714 ZADKGLOISWZOLF-UHFFFAOYSA-N 357.460 2.888 30 40 FFEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1n[nH]c(=O)c2ccccc12 23881445 ZBWDXTPIXJUJCC-UHFFFAOYSA-N 366.380 2.970 30 40 FFEB C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(NC(=O)C2CC2)cc1 28045120 ADMLDNFUQDSQRG-CYBMUJFWSA-N 369.446 2.946 30 40 FFEB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)COc1ccc(C#N)cc1 11083459 FOTDHIAMYQZXDX-UHFFFAOYSA-N 360.417 2.840 30 40 FFEB COc1ccccc1N=C[C@H]1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 408536903 TYFAKBFGXQBKQP-AWEZNQCLSA-N 351.362 2.605 30 40 FFEB Cc1cc(C(F)(F)F)n2ncc(/C(N)=N/OC(=O)c3cccs3)c2n1 13644254 JSZLJTFFXVZGIC-UHFFFAOYSA-N 369.328 2.595 30 40 FFEB CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cc(C)n(C)c2C)C1=O 409083146 SAASSWJBUYKPCI-LCYFTJDESA-N 362.451 2.600 30 40 FFEB COc1cc(Cl)c(C=Nn2c(O)nc3ccccc3c2=O)cc1OC 409348674 RXYFIOKZBWWSGG-UHFFFAOYSA-N 359.769 2.655 30 40 FFEB COc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3ccccc3C)C2=O)c1 408537642 WLHOQMOHSJMQSM-HNNXBMFYSA-N 351.362 2.605 30 40 FFEB COc1cc(N2CCOCC2)ccc1/C=N\NC(=S)Nc1ccccc1 409236164 RONJFEFVTOEGET-ZHZULCJRSA-N 370.478 2.852 30 40 FFEB CC(/C=C/c1ccc([N+](=O)[O-])o1)=N/N1C[C@H](CN2CCCCC2)OC1=O 33838985 XPVPXZXZCUMYNI-ZUHOFZPZSA-N 362.386 2.884 30 40 FFEB Cc1ccoc1C(=O)N1Cc2cccn2C[C@@H](Oc2ccc(C#N)cn2)C1 253477523 GFIKDQANKHJZHT-QGZVFWFLSA-N 362.389 2.760 30 40 FFEB C#CC(C)(C)OC(=O)[C@@H]1CC(C)=CC[C@@H]1C(=O)n1nnc2ccccc21 1065856 QQAHOTGQLOWOKM-LSDHHAIUSA-N 351.406 2.999 30 40 FFEB C[C@@H]1CN(C[C@H]2C(=O)O[C@@]34[C@H]2CC[C@@H](C)[C@@H]3CC[C@@]2(C)O[C@H]24)C[C@@H](C)O1 20412366 RUZUDZSTUUEQRC-HTIYCCLCSA-N 363.498 2.621 30 40 FFEB biogenic N#Cc1c(NC(=O)COC(=O)c2ccc(O)cc2)sc2c1CCCC2 3246719 UHMOLAPVBDXCBP-UHFFFAOYSA-N 356.403 3.000 30 40 FFEB COc1ccc(OC)c(/C=C2\Oc3cc(OCC(=O)O)ccc3C2=O)c1 12890135 HYEAJWVKPRJCBG-IUXPMGMMSA-N 356.330 2.783 30 40 FFEB biogenic C=CCN1C(=O)/C(=C\c2ccc(N3CCCCCC3)cc2)C(=O)NC1=S 5158551 LYTZXYNXDOVUHL-VKAVYKQESA-N 369.490 2.880 30 40 FFEB Cc1cc(OCC(=O)Nc2cccc(C#N)c2)nc(N2CCCCC2)n1 65101710 LLRJSIARGDYULC-UHFFFAOYSA-N 351.410 2.665 30 40 FFEB COc1ccccc1N1CCN(CCOc2ccc(CC#N)cc2)CC1 79055363 DZBYNUOZHFTBRG-UHFFFAOYSA-N 351.450 2.962 30 40 FFEB C=CCc1cc(C=C2C(=O)NC(=S)NC2=O)cc(OCC)c1OCCC 409071521 GQZVZOLTNGNWCY-UHFFFAOYSA-N 374.462 2.517 30 40 FFEB C/N=C1/S/C(=C\c2cc(OC)c(O)cc2Br)C(=O)N1C 408847075 MFKAWCSLCKTBAY-JSYAVDNYSA-N 357.229 2.695 30 40 FFEB N#Cc1cnn(C2CCOCC2)c1NS(=O)(=O)c1sccc1Cl 520338970 OEDLEIGLCVTEIK-UHFFFAOYSA-N 372.859 2.622 30 40 FFEB O=C(NCC#CCN1CCc2ccccc2C1)c1cc(-c2ccco2)on1 75164974 HLRQKQLOKVDGDF-UHFFFAOYSA-N 361.401 2.726 30 40 FFEB N#Cc1ccccc1Oc1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1 55428787 OOPYHMZKNYRMDB-UHFFFAOYSA-N 363.373 2.828 30 40 FFEB NC(=O)c1ccccc1OCC#CCNC(=O)c1cccc2ccccc12 85558767 YHFVVZUEPBHKBO-UHFFFAOYSA-N 358.397 2.751 30 40 FFEB Cc1ccc([C@H]2C(C(=O)/C=C/c3ccccc3)=C(O)C(=O)N2CCO)cc1 100563459 WJIFHSMGEWLWPV-JTPHSUOKSA-N 363.413 2.965 30 40 FFEB N#C[C@H](C(=O)COc1ccc2oc3c(c2c1)CCCC3)C(=O)NC1CC1 103504787 LXXDZRGCCLJCFZ-MRXNPFEDSA-N 352.390 2.678 30 40 FFEB Cc1nc(/C=N/OCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccn12 107482241 IRSGBUZALIRGAM-QBFCGPMASA-N 354.454 2.934 30 40 FFEB COc1ccccc1N1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 57406029 KTTYNZCVKJHDHL-MRXNPFEDSA-N 364.449 2.716 30 40 FFEB COc1ccc(-n2ccc(C(=O)Nc3cc(C)nn3CCC#N)n2)cc1 58217197 UPNZMUIYHSQRKM-UHFFFAOYSA-N 350.382 2.552 30 40 FFEB C#CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 58420892 PFSLGUCLDZOBSE-QFBILLFUSA-N 359.901 2.770 30 40 FFEB COc1ccc(S(=O)(=O)/N=C(\O)c2c(C)oc(C)c2C)c([N+](=O)[O-])c1 48566768 VFXYWWZPIFDNSD-UHFFFAOYSA-N 368.367 2.815 30 40 FFEB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 6433158 HLNGRDMOBNOEQH-UHFFFAOYSA-N 357.435 2.841 30 40 FFEB COc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc(Cl)c1O 409177229 FCCHRVSFRGNUGX-MQRJGYPBSA-N 360.797 2.585 30 40 FFEB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(C#N)C(=O)O)cc1 252516115 QDOYOONKAUQSQX-ZIFCJYIRSA-N 355.415 2.783 30 40 FFEB COc1ccccc1OCC#CCNC(=O)c1cc(-c2ccco2)on1 90610328 GMSSWHHISSFBQR-UHFFFAOYSA-N 352.346 2.755 30 40 FFEB O=C(NCC#CCOc1ccc2c(c1)OCO2)NCc1ccc(Cl)cc1 90730948 JCMIULSMKOPFHM-UHFFFAOYSA-N 372.808 2.950 30 40 FFEB N#Cc1cccnc1N1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 58226942 KSQXQVPCMVTDPJ-UHFFFAOYSA-N 351.410 2.616 30 40 FFEB C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nc2ccccc2c1=O 8282370 KHMKIBRDCBSBRC-UHFFFAOYSA-N 368.414 2.969 30 40 FFEB N#Cc1nc(Cc2cccc3ccccc23)oc1N1CCC(C(N)=O)CC1 2426348 KMKVIQMAXUBNAB-UHFFFAOYSA-N 360.417 2.992 30 40 FFEB CCNC(=O)COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1OC 5128384 MBVZKMPTXLSMRF-UHFFFAOYSA-N 365.385 2.673 30 40 FFEB Cc1csc([C@H](C#N)C(=O)COC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n1 6606139 MGYZTTAVCYXIIJ-VBROQKIQSA-N 371.374 2.793 30 40 FFEB COc1ccc(CN(C)C(=O)c2ccc(NC(=O)CC#N)cc2)c(OC)c1 9512460 QXGFIDQRBFWGJR-UHFFFAOYSA-N 367.405 2.828 30 40 FFEB C#CC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 89261553 SYYHVGAURTVSNC-GOSISDBHSA-N 354.431 2.614 30 40 FFEB CCOc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 408536987 UGBYEDMIVXDPKW-KRWDZBQOSA-N 365.389 2.995 30 40 FFEB O=C(/C=C/c1cccc(OCc2ccccc2)c1)ON1C(=O)CCC1=O 97940131 NJOCLIDJWWTODR-FMIVXFBMSA-N 351.358 2.886 30 40 FFEB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1ccc(Br)cc1 239229089 URPZHFWDRVPDSQ-OSLXHZNNSA-N 371.234 2.836 30 40 FFEB CCc1ccccc1N1/C(=N/C(=O)C(C)C)S[C@H]2CS(=O)(=O)C[C@@H]21 16741019 RAYFDGAOQZDYMO-QDASYUEBSA-N 366.508 2.506 30 40 FFEB CC(C)(CNCc1cn(CCC#N)nc1-c1ccccc1)N1CCOCC1 22806688 XIEJIUKYEUMDMR-UHFFFAOYSA-N 367.497 2.664 30 40 FFEB CS(=O)(=O)N(Cc1cn2cc(Cl)ccc2n1)c1cccc(C#N)c1 12576417 LNAKYHYTCSCDAL-UHFFFAOYSA-N 360.826 2.826 30 40 FFEB Cc1cc(N2CCN(C(=O)C3CC3)CC2)n2c(nc3ccccc32)c1C#N 12629760 WAZZPHFQNOBLAP-UHFFFAOYSA-N 359.433 2.726 30 40 FFEB C[C@H](C#N)OC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 7564893 FPTKSYQIDHCVJU-CQSZACIVSA-N 370.430 2.897 30 40 FFEB CCOC(=O)[C@H](NC(=S)N/N=C/c1ccc(OC)cc1)c1ccccc1 96346673 ZKBIUVIYWPMIDY-UOBPLZBXSA-N 371.462 2.798 30 40 FFEB CO[C@@H]1C[C@@H](c2nncn2C)N(c2ccc(C#N)c(C(F)(F)F)c2)C1 585782853 MMTXRTBETONNRW-OCCSQVGLSA-N 351.332 2.672 30 40 FFEB N#Cc1cc2c(nc1N1CCC(n3nc(C4CC4)ccc3=O)CC1)CCC2 1775965521 BIUXDQIKBQKNKV-UHFFFAOYSA-N 361.449 2.718 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1ccc(Br)cc1)C31CC1 1083650 QMTDZAVNWVAJSX-MMNWFBIOSA-N 371.234 2.980 30 40 FFEB CCOC(=O)c1sc2nc(C)n(/N=C/c3cccnc3)c(=O)c2c1C 1466047 JPFDQPQYIOWSLN-DJKKODMXSA-N 356.407 2.529 30 40 FFEB O=C(O)C[C@H]1S/C(=N/N=C/c2ccco2)N(c2ccc(F)cc2)C1=O 6221979 QLQPMTNUNYPAMW-XHYMMBEISA-N 361.354 2.732 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 6187422 VUGQHOPBONGJIM-INIZCTEOSA-N 368.345 2.812 30 40 FFEB N#Cc1ccc(N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)nc1 60481281 UGDJVSURAKMIPU-UHFFFAOYSA-N 352.829 2.577 30 40 FFEB in-vitro N#CCC[C@H](C#N)CN1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 27210844 ZGTCEGXJKMWHOZ-CQSZACIVSA-N 364.371 2.907 30 40 FFEB CN(C)C(=O)COc1cccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 58195264 LHJHIBMWUBCRCP-MDZDMXLPSA-N 354.362 2.958 30 40 FFEB N#CC1(C(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)CCCC1 58223121 CMJIXVKICIXQPF-UHFFFAOYSA-N 353.466 2.810 30 40 FFEB COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)NC2=O)cc1 13893824 NYYRGTLYEPFZPJ-HNNXBMFYSA-N 355.419 2.943 30 40 FFEB O=C(COc1ccc(/C=N/c2ccc(F)cc2F)cc1)N1CCOCC1 409226990 OERNXAQWSDWRJP-WSDLNYQXSA-N 360.360 2.953 30 40 FFEB N#Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)cc1Cl 84350992 YWUGISZCWFBJBH-UHFFFAOYSA-N 350.709 2.754 30 40 FFEB COc1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccc(C)cc2)c(OC)c1 19138835 IYVOFCLYQHURBQ-KRWDZBQOSA-N 353.374 2.878 30 40 FFEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCC(=O)O)cc1 6407366 CPWYGJLWHQIJIN-GHNGSUTGSA-N 365.385 2.891 30 40 FFEB COc1ccc(/C(O)=C/C=N/c2ccc(S(N)(=O)=O)cc2)c(OC)c1 102437596 WUYFFYIMLUGXJS-KPUGQTCVSA-N 362.407 2.653 30 40 FFEB CC(C)C(=O)N1CCC[C@H]1C(=O)NCCSCc1ccccc1C#N 55037599 FNGGPUCHTDDJOP-KRWDZBQOSA-N 359.495 2.555 30 40 FFEB Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C#N)n2N)cc1 3278807 NXBGNTALXMYJPB-UHFFFAOYSA-N 364.434 2.570 30 40 FFEB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(C#N)cc1 12908345 DCWYIDJDPXGAQI-OAHLLOKOSA-N 360.421 2.770 30 40 FFEB CCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 4248270 OEYSZRRPWPURQZ-OAHLLOKOSA-N 365.433 2.757 30 40 FFEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 5397404 RWRMHUJZEPRKRE-LSCVHKIXSA-N 368.341 2.973 30 40 FFEB C=CCn1c(C)cc(C(=O)COC(=O)CNC(=O)c2ccccc2F)c1C 5938132 UESNEZZRLROCMG-UHFFFAOYSA-N 372.396 2.586 30 40 FFEB CCOC(=O)c1c(NC(=O)C[n+]2ccc(N(C)C)cc2)sc(C)c1C 4129513 UGYWQZXFBZOGIU-UHFFFAOYSA-O 362.475 2.534 30 40 FFEB Cc1ccc(S(=O)(=O)OC[C@@H](O)[C@@H]2CCc3cc(F)ccc3O2)cc1 65748881 SRYHEPKRXGABEM-AEFFLSMTSA-N 366.410 2.594 30 40 FFEB in-vitro Cc1[nH]c(=N)c(C#N)c(-c2ccc(OCC(N)=O)cc2)c1-c1ccccc1 408977686 FFBIRKUDZOGRIV-UHFFFAOYSA-N 358.401 2.872 30 40 FFEB COC(=O)c1cc(C#N)c(=O)n(Cc2csc(-c3ccc(C)cc3)n2)c1 25963707 VPPYLFAWBUAHOL-UHFFFAOYSA-N 365.414 2.987 30 40 FFEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 40087060 YXOJEZQSZKLXHL-UHFFFAOYSA-N 358.348 2.664 30 40 FFEB Cc1cccc(N(CC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)c1C 6035033 JWCRJDHJTBVFHH-UHFFFAOYSA-N 371.462 2.774 30 40 FFEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccn(C)n3)c2C#N)C1 832656 QSSAECSRIREBAC-VIFPVBQESA-N 359.480 2.605 30 40 FFEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccncc4)[C@H]3[C@@H]3O[C@@]132 12659830 AHOMDMPWVTZNJU-QIZAOCPXSA-N 356.466 2.697 30 40 FFEB biogenic CC(C)N(Cc1nnc2n(C)c(=O)c3ccccc3n12)c1cccc(C#N)c1 58194847 AGWYTXUGQHCIPA-UHFFFAOYSA-N 372.432 2.868 30 40 FFEB C=CCn1c(S[C@@H](C)C(=O)OC)nnc1[C@H]1COc2ccccc2O1 11428509 UOEIHPZSKGIHTI-SMDDNHRTSA-N 361.423 2.630 30 40 FFEB CCn1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SC)nn32)cn1 17074004 BVLYGLBPKGEADG-AWEZNQCLSA-N 358.471 2.875 30 40 FFEB C=C(C)C(=O)Oc1ccc(N(C)C2=NS(=O)(=O)c3ccccc32)cc1 95481853 APPSAFYYQFWIPX-UHFFFAOYSA-N 356.403 2.753 30 40 FFEB C=CCN1C(=O)N/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O 409132957 YSEZBARPRKLFLT-FMIVXFBMSA-N 350.216 2.594 30 40 FFEB C#CCOc1ccc(/C=C2\C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)cc1 33932352 JFNGZKAUVNROHO-ATVHPVEESA-N 362.341 2.911 30 40 FFEB COc1cccc(N2CCO[C@@H]2c2cn(Cc3ccc(C#N)cc3)nn2)c1 216765389 CSHCWNBJOXYXFW-HXUWFJFHSA-N 361.405 2.742 30 40 FFEB N#CCN1CCOC2(CCN(C(=O)c3ccc[nH]3)CC2)c2ccccc21 96080322 YZVNUFCWXVQYGH-UHFFFAOYSA-N 350.422 2.506 30 40 FFEB C/C(=N/N=C1/S[C@@H](CC(=O)O)C(=O)N1c1ccccc1)c1ccco1 13547922 LPWZTQQUBFICOZ-ORONTKGKSA-N 357.391 2.983 30 40 FFEB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(C#N)cc2)cc1 6637449 BKXKTKCHVPVFHP-LBPRGKRZSA-N 351.362 2.701 30 40 FFEB CCOc1cc2c(cc1/C=C/C(=O)[C@H]1C(=O)C=C(C)OC1=O)O[C@@H](C)C2 103337969 OBCVPHNYJUUJRL-NQYCLIQSSA-N 356.374 2.637 30 40 FFEB C=CCn1cnnc1SCc1nnnn1-c1ccc(C(F)(F)F)cc1 54450302 YWNVUPCATXJOKD-UHFFFAOYSA-N 367.360 2.751 30 40 FFEB C[C@H](Sc1nnnn1-c1cccc(F)c1)C(=O)Nc1sccc1C#N 12699045 NRPLSMRKVSLJGJ-VIFPVBQESA-N 374.426 2.854 30 40 FFEB O=S(=O)(/N=C(\O)CSc1ccc2c(c1)OCCO2)c1cccs1 48427538 IIRQIGKOXJBNCU-UHFFFAOYSA-N 371.461 2.957 30 40 FFEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(N2CCCCCC2)o1 409361492 SVJWFLGIONVSND-UHFFFAOYSA-N 352.394 2.958 30 40 FFEB C=CCn1c(SCC(=O)c2cc(C)n(C)c2C)nc2ncccc2c1=O 8752633 PQPRLTVFJUFCEN-UHFFFAOYSA-N 368.462 2.908 30 40 FFEB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C#N)cc1 218117230 QNSADAPKWAPAFK-YESZJQIVSA-N 362.838 2.509 30 40 FFEB C=CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224754472 SSMOGXDILFXYFF-UHFFFAOYSA-N 363.351 2.884 30 40 FFEB Cc1ccoc1C(=O)N1Cc2cccn2C[C@H](Oc2ccc(C#N)cn2)C1 253477522 GFIKDQANKHJZHT-KRWDZBQOSA-N 362.389 2.760 30 40 FFEB CO/C(N)=N/S(=O)(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1 13808126 AXGGNIBMTMOUTC-VHEBQXMUSA-N 361.427 2.818 30 40 FFEB CCOC(=O)N1CCN([C@H](C#N)c2cccc(Br)c2)CC1 36126953 WJXQEBUGQJIIQP-CQSZACIVSA-N 352.232 2.788 30 40 FFEB C#CCOc1ccc(/C=C(/Sc2nc(C)n[nH]2)C(=O)O)cc1OCC 2604676 FYCYNWXCQCZKKV-XNTDXEJSSA-N 359.407 2.742 30 40 FFEB COC[C@H]1CCCN1C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@H]3C[C@H]12 4084947 REILRXPTAKYZGI-ZBINAFDESA-N 363.498 2.624 30 40 FFEB N#Cc1ccccc1NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 58128265 BZVJTLJNKJPVGD-UHFFFAOYSA-N 354.841 2.972 30 40 FFEB N#Cc1ccc(N2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)nc1 58201215 WZJOZSYGTQQVSC-UHFFFAOYSA-N 374.366 2.863 30 40 FFEB C=CCNC(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C 12777772 KYXXTLXCDVWKAZ-UHFFFAOYSA-N 351.328 2.993 30 40 FFEB C=CCn1c(SCC(=O)NC[C@@H]2CCCO2)nnc1C1CCCCC1 3485652 CNAQPQFNPPUCDX-HNNXBMFYSA-N 364.515 2.899 30 40 FFEB CCOC(=O)[C@@H]1C(=O)C=C(C)[C@H](C(=O)OCC)[C@@H]1c1ccc(OC)cc1 4369015 AVFICRAHJIFRSB-OKZBNKHCSA-N 360.406 2.666 30 40 FFEB COc1cc(/C=N/N=C/c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OC 4705062 OLPZRFPSLPJBRY-BEQMOXJMSA-N 358.310 2.973 30 40 FFEB C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(c2nnc3ccccn23)CC1 67443014 KFHUGPHXZXREAC-OAHLLOKOSA-N 374.448 2.808 30 40 FFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCCC2=O)cc1 7491473 HTKIGDPHQFCZFM-HNNXBMFYSA-N 363.417 2.769 30 40 FFEB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)C(=O)O)cc1 218357968 VSUFQRGPXVZPND-LNLFQRSKSA-N 355.415 2.838 30 40 FFEB COc1ccc(OC)c2c1CN(CCOc1ccc(C#N)cc1)C[C@@H]2O 53147166 SIXAZDZWGJNUSC-KRWDZBQOSA-N 354.406 2.503 30 40 FFEB N#Cc1ccc(NC(=O)NC[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1 75109284 RVEDXKGYCKRIGL-GOSISDBHSA-N 362.433 2.771 30 40 FFEB COc1ccc([N+](=O)[O-])cc1N/C(O)=N/S(=O)(=O)c1ccc(C)cc1 5929668 BCLMMJZAEOYSAE-UHFFFAOYSA-N 365.367 2.627 30 40 FFEB C=CCN1C(=O)[C@@H](CC)S/C1=N/S(=O)(=O)c1ccc(Cl)cc1 4537434 PGHHEYBCSFIWGQ-GASGDFKYSA-N 358.872 2.925 30 40 FFEB CN(CCC#N)C(=O)COC(=O)c1cc2c3ccccc3n(C)c2s1 21281680 CWAMRIYXXQYZHC-UHFFFAOYSA-N 355.419 2.922 30 40 FFEB C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(SC)cc1)CC(=O)N2 4944374 YEKREFXFTLHWDJ-LBPRGKRZSA-N 357.460 2.691 30 40 FFEB COc1ccc(C/C(O)=N/S(=O)(=O)Cc2ccc(Cl)nc2)cc1 58150992 JUZODLAOTBJZPV-UHFFFAOYSA-N 354.815 2.773 30 40 FFEB C=CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccncc1 3354264 MZBSWOFNWIIBME-UHFFFAOYSA-N 356.411 2.553 30 40 FFEB COc1ccccc1OCCC(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 12796311 PEWRYUSGWODXET-CQSZACIVSA-N 368.389 2.906 30 40 FFEB Cc1ccc(N(CCC#N)C(=O)Cn2cnc3ccccc3c2=O)cc1C 12923955 MNODHEWLIRRFGJ-UHFFFAOYSA-N 360.417 2.960 30 40 FFEB COc1cc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(O)cc2)ccc1O 8566180 BPMSBVRYWIMZQD-QGZVFWFLSA-N 355.346 2.595 30 40 FFEB CCOC(=O)c1cc(C#N)c(SCC(=O)N2CCC(C)CC2)nc1C 8776655 WKQIWLNJXGOWGB-UHFFFAOYSA-N 361.467 2.789 30 40 FFEB O=c1c(Br)c(N/N=C/c2ccncc2)cnn1-c1ccccc1 4749588 QZTMOCUGVUOHTO-VXLYETTFSA-N 370.210 2.836 30 40 FFEB C=CCOc1ccc(C(=O)N2CCC[C@H](c3ccnc4ncnn34)C2)cc1 72334881 DZJCZUIABUAWCM-INIZCTEOSA-N 363.421 2.709 30 40 FFEB C=CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(OC)c(F)c1 225105788 OQKXRFLXOLOYRX-UHFFFAOYSA-N 365.382 2.944 30 40 FFEB CN(c1cc(C#N)c(Br)cn1)C1CCN(c2cnccn2)CC1 603364181 QWRJXWNAKWQIHL-UHFFFAOYSA-N 373.258 2.611 30 40 FFEB CCN(CC)C(=O)N1CCC[C@@H](/C(O)=N/c2nc(C(F)(F)F)n[nH]2)C1 40153400 FBPFCWWYBHUXRQ-SECBINFHSA-N 362.356 2.585 30 40 FFEB C=CCNS(=O)(=O)c1cc(Br)ccc1Br 36638830 HEVCUNJRJZAHDC-UHFFFAOYSA-N 355.051 2.676 30 40 FFEB N#Cc1c(CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cn2ccccc12 32825222 YFRHRKVBHBDQNN-MRXNPFEDSA-N 369.446 2.593 30 40 FFEB C=C1C(=O)O[C@@H]2/C=C(\C)C[C@@H]3C=C(C[C@H](OC(=O)/C(C)=C\C)[C@@H]12)C(=O)O3 31166847 FTPHYXGWMIZVMP-GAFRNKKQSA-N 358.390 2.554 30 40 FFEB biogenic,in-vitro N#Cc1cccc(C(=O)N2CC3(C[C@@H](OCC4CCOCC4)CS3)C2)c1 575403394 JVPFZMUMHRSVFQ-GOSISDBHSA-N 372.490 2.702 30 40 FFEB C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 56207118 NAYTYNLIIXJKQZ-GJZGRUSLSA-N 367.424 2.867 30 40 FFEB CC(=O)c1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)s1 21905762 VYYFBPLFYRXJMD-UHFFFAOYSA-N 353.447 2.780 30 40 FFEB CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1 104308391 VOJUCQJZQJVSBV-SPPNIPNTSA-N 373.434 2.744 30 40 FFEB C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(c2ccc(F)cc2)CC1 57024385 IBKBNVWNQGJUFK-MRXNPFEDSA-N 358.461 2.679 30 40 FFEB O=C(CNC(=O)c1ccccc1)Nc1cccc(C#Cc2ccccn2)c1 12728226 GNPIYQIGZCZQBT-UHFFFAOYSA-N 355.397 2.850 30 40 FFEB O=C1Nc2ccc(Br)cc2/C1=N\Nc1ccc(C(=O)O)cc1 5445381 INIDBUIACJXPCZ-UHFFFAOYSA-N 360.167 2.916 30 40 FFEB C#CCN1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 42713945 CLSFQZMANGTOAY-KXBFYZLASA-N 353.466 2.700 30 40 FFEB C=CCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(O)C#Cc1ccccc1 95951394 GBGITFZYESMIAG-WIYYLYMNSA-N 356.466 2.554 30 40 FFEB COc1ccc([C@H]2c3c(nn(-c4ccccc4)c3O)NC(=O)[C@H]2C#N)cc1 14163240 KDLLVZOUPLAZGN-JKSUJKDBSA-N 360.373 2.810 30 40 FFEB CCOC(=O)CC/C(=N\Nc1cc(Cl)ccc1[N+](=O)[O-])C(=O)OCC 16682787 RXGDYLNJCQAGJI-GZTJUZNOSA-N 371.777 2.923 30 40 FFEB CCN(CC)c1ccc(/C=N/N2C(=O)NC3(CCCCC3)C2=O)c(O)c1 3527502 GHGFXTPDVKCWIM-DEDYPNTBSA-N 358.442 2.827 30 40 FFEB COc1cc(C)cc(C(=O)O)c1C1=C(O)C(=O)c2c(O)cccc2C1=O 13369998 PBKZJIMGHNPKBJ-UHFFFAOYSA-N 354.314 2.756 30 40 FFEB biogenic,in-vitro C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[C@H](C#N)C(=O)c1nccn1C 101735947 FHDFQSHFHWOGLF-QWRGUYRKSA-N 365.311 2.798 30 40 FFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)CC(OC)OC)[C@H]3C[C@H]12 61695588 YHZOBPBMQMCRTE-FLXNRXMOSA-N 351.487 2.851 30 40 FFEB biogenic N#Cc1cnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc1N 1223415 CMWZGKGNDFCMEC-UHFFFAOYSA-N 353.329 2.680 30 40 FFEB C=CCc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc(OC)c1OC 9479682 BGBVYDHKSAEQEH-UHFFFAOYSA-N 356.422 2.667 30 40 FFEB COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(O)cc1 6786122 UILFRNIBJUXKRV-INIZCTEOSA-N 357.362 2.600 30 40 FFEB C#CCC(C)(C)OC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1 28295197 SVBOUFDETPSLIL-GOSISDBHSA-N 350.890 2.641 30 40 FFEB N#Cc1c(OCC(=O)N2CCOCC2)nc(C2CCCCC2)c2c1CCC2 32071492 JTPFUZNDXQRAIJ-UHFFFAOYSA-N 369.465 2.727 30 40 FFEB N#Cc1ccc(CS(=O)(=O)CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 42181534 JRHBEPYOBXOHAG-UHFFFAOYSA-N 372.490 2.558 30 40 FFEB Cc1ccsc1CCC(=O)N1C[C@H]2CN(c3ccc(C#N)cn3)C[C@@H]2C1 1888865624 FVDVAWFZOJHYKG-IAGOWNOFSA-N 366.490 2.851 30 40 FFEB N#Cc1cccc(N2CCC(Oc3ncc(-c4ccncc4)cn3)CC2)n1 1889149323 WEAAFGBROZHQJB-UHFFFAOYSA-N 358.405 2.853 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccc(OC)cc1 102874679 YOZUOXRHRDWWGD-UYTDBDHRSA-N 373.430 2.825 30 40 FFEB N#Cc1ccccc1OCC(=O)N1N=C2CCCC[C@H]2[C@@]1(O)C(F)(F)F 408562763 BHHDULGEISYOSW-MLGOLLRUSA-N 367.327 2.576 30 40 FFEB C=CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2C)C(=O)NC1=S 408902961 SRTOAQAFPULFOG-GHRIWEEISA-N 369.490 2.798 30 40 FFEB Cc1c(C/N=C(/N)N2CCN(c3nccs3)CC2)oc2ccc(F)cc12 95948352 GGVLMHWLBWOETI-UHFFFAOYSA-N 373.457 2.974 30 40 FFEB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1sc3c(c1C#N)CCCC3)CS2 69086614 LQABPRWILCYERQ-YVEFUNNKSA-N 361.492 2.891 30 40 FFEB N#C[C@@H](NC(=O)c1cc2n(n1)CCCO2)c1ccc(OC(F)(F)F)cc1 577043512 WYIQLNFQZQGUTC-CYBMUJFWSA-N 366.299 2.559 30 40 FFEB CN1CCN(c2ccc(/C=C3/S/C(=N\c4ccccc4)NC3=O)o2)CC1 5810355 KRMZERMKAFQLTH-DTQAZKPQSA-N 368.462 2.923 30 40 FFEB CCOc1cc(C#N)ccc1OCC(=O)OCC(=O)N[C@H]1CCCC[C@H]1C 17730760 MMZFBKZGLPADES-ZBFHGGJFSA-N 374.437 2.574 30 40 FFEB C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c1C 4515076 HMUQSLQXYBNUEB-RBZFPXEDSA-N 357.454 2.974 30 40 FFEB COC(=O)c1c(C)[nH]c(/C=N/N=C/c2[nH]c(C)c(C(=O)OC)c2C)c1C 13510064 QNYPXURNNJNUGA-OKXCLTPOSA-N 358.398 2.603 30 40 FFEB C=CCN1C(=O)[C@](NC(=O)CC(C)C)(C(F)(F)F)N=C1c1ccccc1 20624841 FDBIACRKSKOOSP-QGZVFWFLSA-N 367.371 2.882 30 40 FFEB C#CCOc1c(Cl)cc(C=C2C(=O)OC(C)(C)OC2=O)cc1OCC 2775772 MBEJMAQGTUQZFG-UHFFFAOYSA-N 364.781 2.970 30 40 FFEB COC(CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1)OC 6294762 QPEVRSCPZCNNSD-SFHVURJKSA-N 367.401 2.884 30 40 FFEB C=CCn1c(C)nnc1SCC(=O)Nc1nnc(-c2ccccc2)o1 6909527 BTMUPULMVDXEIH-UHFFFAOYSA-N 356.411 2.553 30 40 FFEB N#Cc1ccccc1NC(=O)CCN1CCN(Cc2cccs2)CC1 22931911 DLEIGLFODKEUKN-UHFFFAOYSA-N 354.479 2.766 30 40 FFEB O=C(/C=C/c1ccc2c(c1)OCO2)C[C@@]1(O)C(=O)Nc2ccc(Cl)cc21 1163227 IKDGZBPSXNMNSR-KIYPBCMGSA-N 371.776 2.881 30 40 FFEB C[C@@H](OC[C@@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc(Cl)s1 69282578 RYYCXHXHSJJGGS-BDAKNGLRSA-N 353.849 2.631 30 40 FFEB N#Cc1cccc(C2(C(=O)N3CCN(C(=O)c4ccccc4)CC3)CC2)c1 95430382 PQVNUTSVNHQNBM-UHFFFAOYSA-N 359.429 2.574 30 40 FFEB N#CCc1ccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 222552095 JBHJCYKQFSOPSM-UHFFFAOYSA-N 369.446 2.935 30 40 FFEB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(C#N)cc2)nn1 32093459 CXIUNUHVZUVUTL-CQSZACIVSA-N 360.377 2.975 30 40 FFEB CCN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)Cc1ccc(C#N)cc1 8937231 SRFGPSZOQVOKCC-UHFFFAOYSA-N 372.446 2.681 30 40 FFEB C#CCNC(=O)c1nn(-c2ccccc2)cc1-c1ccc(OC)c(OC)c1 12772925 GWFCYWJAQYXHJV-UHFFFAOYSA-N 361.401 2.920 30 40 FFEB C#CCOc1c(Br)cc(/C=C2/C(=O)ON=C2C)cc1OC 4320985 QMBJMLWHKVDQDJ-IZZDOVSWSA-N 350.168 2.786 30 40 FFEB N#Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 7309530 DFPGGWRGXGVMTJ-MRXNPFEDSA-N 370.430 2.855 30 40 FFEB Cn1c(N)c2c(=O)n(C)c(-c3cccc4ccccc34)cc2c(C#N)c1=O 68754854 ZPISWOIIFSTIKB-UHFFFAOYSA-N 356.385 2.511 30 40 FFEB COc1cccc(/C=N\c2ccc(O)c(C(=O)O)c2)c1O[C@H](C)C(=O)O 409240881 QOKLUIQUOKACGL-DWOMLUCJSA-N 359.334 2.702 30 40 FFEB C=CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2cccs2)cc1 225142884 GFQAFEPWFCHQJZ-UHFFFAOYSA-N 367.448 2.681 30 40 FFEB C=CCN1C(=O)C2(CCOCC2)c2cc(NC(=O)c3ccc[nH]3)ccc21 96080451 IYAOAFRCPFMVEU-UHFFFAOYSA-N 351.406 2.848 30 40 FFEB C=CCOc1ccc([C@@H]2CC(=O)Nc3nc(SC)nc(O)c32)cc1OC 670416083 IJSJXONJNDVXDK-NSHDSACASA-N 373.434 2.952 30 40 FFEB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCCN(c2ccccc2C#N)CC1 46086740 OYPKDNSEVWOEOP-IEBWSBKVSA-N 354.498 2.765 30 40 FFEB O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1C[C@@H]31 1529454205 GNGLISLAPJLWTP-DTDNQRGYSA-N 371.780 2.635 30 40 FFEB O=C(/C=N/OCC(=O)NCCc1ccc(Cl)cc1)Nc1ccccc1 2662245 WSLOBDQYXYNIAG-CIAFOILYSA-N 359.813 2.640 30 40 FFEB COC(CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(Cl)cc1Cl)OC 813461 IURHACWLYWHDPD-AWEZNQCLSA-N 374.220 2.897 30 40 FFEB C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 47194672 XDHMVZGFXRQXMR-UHFFFAOYSA-N 351.362 2.595 30 40 FFEB Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)NC2(C#N)CCCCC2)c1 22123934 LNSCXAJUJRDKCB-AWEZNQCLSA-N 370.482 2.794 30 40 FFEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2ccco2)c([N+](=O)[O-])c1 5019345 PPBFIBXANUPTRZ-LFIBNONCSA-N 366.399 2.664 30 40 FFEB Cc1c(C#N)c(NC(=O)CSc2nnc(N)[nH]2)n(C2CCCCC2)c1C 8538399 XXAWPLNJKWEBNQ-UHFFFAOYSA-N 373.486 2.913 30 40 FFEB C#CCOc1ccc([C@H]2NC(N)=Nc3nc4ccccc4n32)cc1OCC 7127632 SGPDWXBQXCWDTI-SFHVURJKSA-N 361.405 2.543 30 40 FFEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NC2CCOCC2)n1 72004972 FLIRDCGBCOPCRR-UHFFFAOYSA-N 359.373 2.668 30 40 FFEB CCOc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1OC 408728262 JEOITWJKOSYKMF-VDABXWBLSA-N 354.406 2.625 30 40 FFEB N#Cc1ccc(NC(=O)[C@H](Sc2nc(N)n[nH]2)c2ccccc2)cc1 1772491212 NGICVSYFYBEGHT-CQSZACIVSA-N 350.407 2.731 30 40 FFEB N#CC1CCN(C(=O)[C@@H]2CN(CC3CC3)[C@H]3c4ccccc4OC[C@@H]23)CC1 1772595543 DWWBQZSHUHECDO-DYXWJJEUSA-N 365.477 2.840 30 40 FFEB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccccc1C#N 17305768 NJYKZBQJGYLKHH-OAHLLOKOSA-N 360.421 2.770 30 40 FFEB CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(N(C)C)c1 78675771 QQRQXXJVUHQLMJ-UHFFFAOYSA-N 350.466 2.828 30 40 FFEB O=C1Nc2ccc(Br)cc2/C1=N/N=C\c1ccc(O)cc1O 55145552 IKMJRKRTMOFAFF-IDUWFGFVSA-N 360.167 2.636 30 40 FFEB C[C@@H]1CN(CC2CCN(CCOc3ccccc3C#N)CC2)C[C@@H](C)O1 60368354 FIQVYRVGVWGEFB-QZTJIDSGSA-N 357.498 2.758 30 40 FFEB CCN(CC)S(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1 6497071 YSYJWOZCSKKWMS-MRXNPFEDSA-N 357.435 2.602 30 40 FFEB COC(=O)c1sc(NC(=S)NC(=O)c2cccs2)c(C#N)c1C 408624448 UGMQJZXKWWTMOR-UHFFFAOYSA-N 365.461 2.903 30 40 FFEB N#CC1(NC(=O)COC(=O)CSc2nc3ccccc3o2)CCCCC1 5969956 DUQRESTWSCBNOX-UHFFFAOYSA-N 373.434 2.806 30 40 FFEB CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc2c(c1)OCO2 7640205 OVKZWSQZYDYWRL-UHFFFAOYSA-N 369.446 2.908 30 40 FFEB CCOC(=O)c1cc(C#N)c(SCC(=O)N(C)Cc2ccco2)nc1C 29893460 VQZBQQFXFQRHBR-UHFFFAOYSA-N 373.434 2.782 30 40 FFEB N#CCN1CCC2(CC1)C[C@H](C(=O)NCc1cccnc1)c1ccccc12 96079357 DIVHVQSGZZBOBJ-IBGZPJMESA-N 360.461 2.742 30 40 FFEB N#Cc1ccsc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 5335210 LALDNGWPUYCJQR-UHFFFAOYSA-N 358.379 2.617 30 40 FFEB N#Cc1ccc(N2C[C@@H]3CCN(C(=O)c4ccc(F)cc4F)[C@H]3C2)nc1 1889136295 YCNOCPKPCURZNS-GUYCJALGSA-N 354.360 2.582 30 40 FFEB C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 2459064 BMMVSPSOCOMPRR-SJCJKPOMSA-N 355.365 2.785 30 40 FFEB CC(C)(C)N1C(=O)CS[C@@H](C(=O)NC2CC2)[C@@H]1c1ccc(C#N)cc1 952964692 MFBSNHXIFBBQPL-DLBZAZTESA-N 357.479 2.620 30 40 FFEB N#CCOc1ccc(NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)cc1 40130666 YNFCHLPWJMDNDG-ZDUSSCGKSA-N 371.828 2.887 30 40 FFEB COC(=O)c1sc(NC(=O)COc2ccc(OC)cc2)c(C#N)c1C 782892 OONVBTQEICGWLD-UHFFFAOYSA-N 360.391 2.741 30 40 FFEB Cc1sc(NC(=O)CSc2nncn2-c2cccnc2)c(C#N)c1C 4126812 KXNGXVMMHZDKNE-UHFFFAOYSA-N 370.463 2.943 30 40 FFEB C=CCN/C(S)=C(/C(=O)c1cccc([N+](=O)[O-])c1)[n+]1cccc(C)c1 21841904 MRTSTIQKGBOQTI-UHFFFAOYSA-O 356.427 2.905 30 40 FFEB C=CCc1ccccc1OC[C@@H](O)CN1C(=O)N(C)C2(CCCCC2)C1=O 58013069 BZRQGIONTCXVQR-KRWDZBQOSA-N 372.465 2.752 30 40 FFEB C=C(C)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)=O)cc1 6719135 YFBCMBBDBQMASI-JKSUJKDBSA-N 364.492 2.540 30 40 FFEB COc1cccc(/C=C2/C(=O)c3ccccc3S(=O)(=O)N2C)c1OC 9483883 DEJXJLUQRDJVIP-KAMYIIQDSA-N 359.403 2.562 30 40 FFEB C[C@@H](Sc1nc2sccc2c(=O)[nH]1)C(=O)Nc1ccccc1C#N 9456274 ZSAKTLVSEOCELV-SECBINFHSA-N 356.432 2.976 30 40 FFEB CC(C)(C(=O)N1CCN(C(=O)c2cccc(C#N)c2)CC1)c1ccccc1 43731007 LYNCLTGENJEDDV-UHFFFAOYSA-N 361.445 2.820 30 40 FFEB C=CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 222987642 WJHARJLHGBPPHS-QGZVFWFLSA-N 366.461 2.957 30 40 FFEB Cc1ccc(C(=O)N2C[C@H]3CN(c4ccc(C#N)cn4)C[C@@H]3C2)cc1F 1888869481 DAFYMRBAKKKNGL-IAGOWNOFSA-N 350.397 2.609 30 40 FFEB N#Cc1ccccc1NC(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O 5270716 OCMHYSQRCQPSAP-UHFFFAOYSA-N 374.356 2.929 30 40 FFEB N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)c3ccc4nccnc4c3)C2)c1 1775969616 CMNPKOMSSQWNFZ-MRXNPFEDSA-N 373.416 2.828 30 40 FFEB N#C[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 20503018 XWNJGDKDMIFFFC-IYWMVGAKSA-N 355.397 2.721 30 40 FFEB COc1ccc(O)c(/C=N/n2cnc3c([nH]c4ccc(F)cc43)c2=O)c1 2407264 VOTXXHYXLJHCCE-ODCIPOBUSA-N 352.325 2.613 30 40 FFEB N#Cc1cnn(-c2ccc(C(=O)Nc3cnc4c(c3)CCCC4)cc2)c1N 96008204 HMIGFRIKJJRZTM-UHFFFAOYSA-N 358.405 2.852 30 40 FFEB N#Cc1c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCC2 35898109 RYXMVXQAXNBIMW-OSRDXIQISA-N 360.435 2.705 30 40 FFEB C=CCN1C(=O)CCC12CCC(NC(=O)c1ccc(OC)cc1OC)CC2 2055819442 WPFCMWCDROWJFX-UHFFFAOYSA-N 372.465 2.923 30 40 FFEB O=C1CSc2ccccc2N1C/C(O)=N/c1nc(-c2ccccn2)n[nH]1 53525099 NHUHBFDGEFKJIO-UHFFFAOYSA-N 366.406 2.594 30 40 FFEB CC(C)N(C(=O)CN(c1cccc(C#N)c1)S(C)(=O)=O)c1ccccc1 12753334 YGZVWQWLKATKOU-UHFFFAOYSA-N 371.462 2.766 30 40 FFEB COc1ccc(OC)c(S(=O)(=O)/N=C(\O)c2c(C)noc2C(C)C)c1 48493145 UXKTVBATSKKHAV-UHFFFAOYSA-N 368.411 2.817 30 40 FFEB O=c1c2[nH]c3ccc(F)cc3c2ncn1/N=C/c1ccc([N+](=O)[O-])cc1 5255378 GIXHHIPZMQKGQH-DNTJNYDQSA-N 351.297 2.807 30 40 FFEB COCCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 4476347 JUKNSVWQKFBTQX-INIZCTEOSA-N 371.433 2.804 30 40 FFEB Cc1ccccc1OCCN(C)Cc1nc2ccccc2c(=O)n1CC#N 14136110 AOHYTBCHIZGQNN-UHFFFAOYSA-N 362.433 2.739 30 40 FFEB Cc1cccc(CN2CCN(S(=O)(=O)Cc3ccc(C#N)cc3)CC2)c1 14121812 ZTNLSIKQWPBSFZ-UHFFFAOYSA-N 369.490 2.514 30 40 FFEB C/C(=N\N=C1\NC(=O)[C@H](CC(=O)Nc2ccccc2C#N)S1)C(C)C 5461032 FTEVWDWNUBCIPJ-FVUPAENESA-N 357.439 2.506 30 40 FFEB C#CCN(CC1CC1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 89261599 JFTFPDDICLMPKL-UHFFFAOYSA-N 363.461 2.998 30 40 FFEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1C 409288877 CKWOHSYVYPPQQS-UHFFFAOYSA-N 359.227 2.942 30 40 FFEB N#Cc1ccccc1CN1Cc2ccnn2C[C@@H](CNc2ccccn2)C1 306125034 CFEPCFUUCFDRJB-KRWDZBQOSA-N 358.449 2.894 30 40 FFEB COc1ccc(NC(=O)[C@@](C)(C#N)c2ccccc2)cc1C(=O)N(C)C 225960697 OCZFASJRJVFZTF-FQEVSTJZSA-N 351.406 2.817 30 40 FFEB Cc1cccc(OC[C@H]2CCCN(S(=O)(=O)c3ccccc3C#N)C2)n1 1775969375 NMTIDWSOYMJYOV-INIZCTEOSA-N 371.462 2.741 30 40 FFEB N#Cc1cccc(C(=O)N2CC3(C[C@H](OCc4ccncc4)CCO3)C2)c1 575402497 BLHCBMNVCMJAIH-LJQANCHMSA-N 363.417 2.544 30 40 FFEB C[C@@H](C(=O)Nc1ccc(C#N)cc1)N(C)CC(=O)Nc1cccc(F)c1 6639268 BGXIDARRPMCGOF-ZDUSSCGKSA-N 354.385 2.595 30 40 FFEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CCOc2ccc(F)cc2)C1=O 36185697 AEUKHMZGEGMTAT-LJQANCHMSA-N 353.353 2.543 30 40 FFEB C=CCN(c1ccc(C(=O)NCc2ccc(F)cc2)cc1)S(C)(=O)=O 22531744 AGCKPEFSWHIKGO-UHFFFAOYSA-N 362.426 2.708 30 40 FFEB COc1ccc(/C=N/OCC(=O)/N=c2\[nH]c3ccccc3s2)cc1OC 6275206 LJVKFLCDKFMANZ-VXLYETTFSA-N 371.418 2.725 30 40 FFEB COc1ccc(F)cc1CN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O 6583327 RIXHKYDYHLFAQY-IBGZPJMESA-N 353.353 2.673 30 40 FFEB O=C(C[C@H]1S/C(=N/N=C/c2ccccc2O)NC1=O)c1ccccc1 5649895 IKJOZFOYAMZBMI-YDDPGSGASA-N 353.403 2.587 30 40 FFEB Cc1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2CCN(C)C)o1 6813310 YPSLDBYMTQYKRF-IDTYTIONSA-N 360.435 2.633 30 40 FFEB N#Cc1ccc(C(=O)OCC(=O)NCc2ccccc2Br)cc1 67197862 FVROYCDIDMAWPC-UHFFFAOYSA-N 373.206 2.794 30 40 FFEB C=CCN1C(=O)[C@H](C)S/C1=N/S(=O)(=O)c1ccc(Cl)s1 4538170 SCYMYXTZOKUKOO-PWARDMBESA-N 350.874 2.596 30 40 FFEB C=CCc1ccccc1OC[C@H](O)CN1CCN(Cc2ccccc2)CC1 19367352 KUOVTMLCFKFKAI-JOCHJYFZSA-N 366.505 2.973 30 40 FFEB N#CCCN(C(=O)Cn1cccc(C(F)(F)F)c1=O)c1ccc(F)cc1 31813627 GMZDKWSXYMIDRT-UHFFFAOYSA-N 367.302 2.953 30 40 FFEB CSc1ncc(Cl)c(C(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)n1 3186733 FNYCYLYUZUQKDP-VIFPVBQESA-N 371.809 2.578 30 40 FFEB CCCc1ccc(S(=O)(=O)/N=C(\O)c2c[nH]c(=O)c(Cl)c2)cc1 54427678 XWXVXSRAHPDRRQ-UHFFFAOYSA-N 354.815 2.674 30 40 FFEB CNc1oc(-c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)nc1C#N 36627828 NMQWTNWELRLHAL-LBPRGKRZSA-N 360.439 2.676 30 40 FFEB C=CCSc1nnc(NC(=O)c2nn(-c3ccccc3)ccc2=O)s1 8995391 XWLYEYPLNVPZJS-UHFFFAOYSA-N 371.447 2.614 30 40 FFEB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1ccc(C#N)cc1)CC(O)=N2 71279893 BKQWIWLVVJJENO-LSDHHAIUSA-N 370.434 2.546 30 40 FFEB Cc1ccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2CCCN(C)C)cc1 6813223 WDMSLDMPIRBEQR-GHNGSUTGSA-N 368.433 2.961 30 40 FFEB C=CCOc1ccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)cc1OC 531999202 LZKILBUHAQZVDZ-UHFFFAOYSA-N 367.401 2.612 30 40 FFEB C=CCOc1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 225755624 SJIWADMQQAQIJI-UHFFFAOYSA-N 374.462 2.652 30 40 FFEB N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)c3cnc4ccccc4n3)C2)c1 1775971850 VQBLTZMXGVTQFY-MRXNPFEDSA-N 373.416 2.828 30 40 FFEB NC(=S)N1N=C(c2ccccc2)/C(=N/Nc2ccccc2Cl)C1=O 13573719 BKFSXWLBJMKAQU-ZHZULCJRSA-N 357.826 2.598 30 40 FFEB CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)O)c(O)c2)[C@H]1c1ccccc1 969271 DXATYUNVJWLVIO-INIZCTEOSA-N 353.330 2.579 30 40 FFEB C[C@H](c1nc(C(C)(C)C)no1)N1CCN(c2oc(C3CC3)nc2C#N)CC1 40087079 RPFGGJPKXAFBFN-GFCCVEGCSA-N 370.457 2.987 30 40 FFEB COC(=O)c1cc(/N=C/c2cccc(OC)c2O)ccc1N1CCOCC1 102414121 LNYOZNSKQRVUJE-FYJGNVAPSA-N 370.405 2.775 30 40 FFEB Cc1nnc(SCC(=O)N[C@](C)(C#N)C(C)C)n1Cc1ccccc1 2627040 XQTXZNWESDDODC-GOSISDBHSA-N 357.483 2.781 30 40 FFEB CC(C)(C)N/N=C(\c1ccc2c(c1)NC(=O)CO2)c1ccccc1C(=O)O 1390259 QRNXDYHNLZVLIN-RELWKKBWSA-N 367.405 2.856 30 40 FFEB CC[C@]12OC(=N)[C@](C#N)([C@H]1C)C(C#N)(C#N)[C@@H](c1ccc([N+](=O)[O-])cc1)O2 102718750 OIUQJVXWKRBEHP-XWGGXCHLSA-N 365.349 2.960 30 40 FFEB NC(=O)c1cccc(OCC(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 48375287 YDLLWLZMWLBBDR-UHFFFAOYSA-N 371.396 2.598 30 40 FFEB C#CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1 8763073 HIZMRLPINAGMIJ-UHFFFAOYSA-N 361.401 2.920 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(OC)cc1 6786258 XUSZYBUHWHXQDN-MRXNPFEDSA-N 357.362 2.513 30 40 FFEB O=C(C[C@H]1S/C(=N\c2ccccn2)NC1=O)Nc1ccc(F)cc1F 27577225 MOBOYRDEGVQVHT-GFCCVEGCSA-N 362.361 2.608 30 40 FFEB C=CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1ccc3c(c1)OCO3)C2 96039677 VWKRNTXDXNMMSX-AZUAARDMSA-N 359.422 2.629 30 40 FFEB COc1cc(/C=N/n2cnc3ccccc3c2=O)c(Br)cc1O 2776554 FMPIERONGKDFKK-UFWORHAWSA-N 374.194 2.755 30 40 FFEB N#Cc1c2c(c3nncn3c1N1CCCC1)CN(Cc1ccccc1)CC2 20676149 PMIXBPPQCRMLOM-UHFFFAOYSA-N 358.449 2.759 30 40 FFEB CCOC(=O)[C@]1(C(F)(F)F)N=C(C)OC(N=C(SC)SC)=N1 4207760 RNLXYNCLMGJQIJ-JTQLQIEISA-N 357.379 2.695 30 40 FFEB Cc1cc(C)cc(N(CCC#N)C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1 7391490 SQVVVQBTKUGSCK-UHFFFAOYSA-N 355.398 2.972 30 40 FFEB C=CCNC(=O)[C@@H](C)OC(=O)/C=C/c1ccc(OC(F)F)c(OC)c1 21230135 YBSSZQXTCKUFGV-LXSSAFMLSA-N 355.337 2.544 30 40 FFEB C=CCNC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 10742185 PDKZEKWPXIZNSO-UHFFFAOYSA-N 367.858 2.737 30 40 FFEB CC[C@@H](C)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCOCC1 2396443 HOCJTNGVHSXZMD-CABCVRRESA-N 368.437 2.663 30 40 FFEB C=CCn1c(SCC(=O)NC)nc2sc3c(c2c1=O)CCCCC3 11021319 FHUUNQSWMUWNTL-UHFFFAOYSA-N 363.508 2.751 30 40 FFEB O=C1C(=O)N(CCO)[C@@H](c2ccccc2F)/C1=C(O)/C=C/c1ccccc1 4312699 PJBUIUZIGLCXQX-VCMSMADCSA-N 367.376 2.796 30 40 FFEB CCOC(=O)CN(c1ccc(CC#N)cc1)S(=O)(=O)c1cccs1 225132326 HJWYXPRRBGLDIX-UHFFFAOYSA-N 364.448 2.573 30 40 FFEB N#Cc1cccc(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c1 96099439 NJHNLMHSCTVXJG-UHFFFAOYSA-N 372.421 2.776 30 40 FFEB COC(=O)c1ccc(NC(=S)N/N=C/c2cc(OC)ccc2OC)cc1 1086039 KGYNDWRJEXHFKC-YBFXNURJSA-N 373.434 2.811 30 40 FFEB Cc1ccc(S(=O)(=O)/N=C2\SCC(=O)N2C2CCCCC2)cc1 18153749 HENHUTTUYVIWFL-MSUUIHNZSA-N 352.481 2.948 30 40 FFEB CCN(C[C@@H](O)COc1ccc(C#N)cc1)[C@H](COC)Cc1ccccc1 76093776 JWMSSXWFSFPMTJ-LEWJYISDSA-N 368.477 2.878 30 40 FFEB C=CCn1c(SCCn2c(C)csc2=O)nc2ccsc2c1=O 8877607 QOAUFPMORFKAKB-UHFFFAOYSA-N 365.505 2.968 30 40 FFEB CC(C)CS/C(=N\N=C1\C(=O)Nc2ccccc21)NC[C@H]1CCCO1 13128607 YLJJWSQWSRFBCF-CYBMUJFWSA-N 360.483 2.857 30 40 FFEB C#CCN1C(=O)S/C(=C\c2cc(Br)c(O)c(OC)c2)C1=O 13939714 KTOKWBXTZQXDSB-XFFZJAGNSA-N 368.208 2.833 30 40 FFEB C=C(Br)CNC(=O)c1cccn(Cc2cccc(C)c2)c1=O 65474283 PCHFVOGGCYPNFT-UHFFFAOYSA-N 361.239 2.843 30 40 FFEB Cc1cc(C)n(-c2ccc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nn2)n1 14092906 CPCPZRREWIBJGS-KSSFIOAISA-N 372.498 2.814 30 40 FFEB COc1ccc(OC)c([C@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C)nn32)c1 22608117 WPOVEXVHUYARHD-YPMLDQLKSA-N 354.410 2.872 30 40 FFEB N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2F)c(F)c1 409216176 FXIMQHVFQGEPLB-UHFFFAOYSA-N 352.243 2.910 30 40 FFEB CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)cc1 32504560 AOXKYAADJHMDHQ-IHBNSJBNSA-N 366.508 2.643 30 40 FFEB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)C=O)cc1 225637627 NUBHEBBYQNIHIF-QYZOEREBSA-N 355.415 2.652 30 40 FFEB N#Cc1cccc(N[C@@H]2CO[C@@]3(CCN(C(=O)c4ccsc4)C3)C2)n1 96072693 OKOUFMSWIWUTIO-YJBOKZPZSA-N 354.435 2.500 30 40 FFEB N#CCN1CCC[C@@H]1c1cccc(Nc2nc(C(=O)NC3CC3)cs2)n1 585293998 MQMCMUZQNBTTEC-OAHLLOKOSA-N 368.466 2.834 30 40 FFEB C=CCN1C(=O)/C(=C\c2ccc(OC)cc2OC)C(C(=O)OCC)=C1C 17073766 ZMXWULURECGXGF-WJDWOHSUSA-N 357.406 2.953 30 40 FFEB N#Cc1cccc(N2C[C@]3(CCN(C(=O)C4(C#N)CCCC4)C3)CC2=O)c1 1614928408 FDRIDGPUFHDBBC-HXUWFJFHSA-N 362.433 2.598 30 40 FFEB CCCCCCCCNC(=O)Cn1ccc2c(cnc3ccnn32)c1=O 101374549 DJBVOLYTSDOITG-UHFFFAOYSA-N 355.442 2.521 30 40 FFEB O=C(CCNc1ncc(C(F)(F)F)cc1Cl)/N=C1/NCCS1 78799085 KNNCQSPHXRNVGQ-UHFFFAOYSA-N 352.769 2.775 30 40 FFEB C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1cccnc1 1275845 GBUCPNITJSNYNF-UHFFFAOYSA-N 368.418 2.912 30 40 FFEB C[C@@H](OC[C@@H]1CCCCO1)/C(O)=N/S(=O)(=O)c1ccc(F)c(F)c1 64100239 KYADIQVHNTZYOP-MNOVXSKESA-N 363.382 2.584 30 40 FFEB C=CCSc1nc2cc(C(=O)OC)ccc2c(=O)n1C[C@@H]1CCCO1 6003778 SREHOFLVWPZYLQ-ZDUSSCGKSA-N 360.435 2.640 30 40 FFEB CCC(=O)c1ccc(OCC(=O)OCC(=O)NC2(C#N)CCCCC2)cc1 6029254 IEELSQHUYWBUCD-UHFFFAOYSA-N 372.421 2.544 30 40 FFEB C=CCSC1=NN(C)[C@@H]2NC3=C(C(=O)N12)C(C)(C)Cc1ccccc13 32598485 JFSFVIKIJJRXMU-KRWDZBQOSA-N 354.479 2.831 30 40 FFEB Cc1ccccc1C(=O)NCCNc1nc2cc3c(cc2cc1C#N)OCO3 35311320 FLDSTNVWGXPJAA-UHFFFAOYSA-N 374.400 2.986 30 40 FFEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc4c(c3)OCO4)C2(C#N)C#N)cc1 218163853 ARCRRCFZVYYDQH-MSOLQXFVSA-N 366.398 2.697 30 40 FFEB Cc1nn2c(nnc3c(=O)n(CCS)ccc32)c1-c1ccc(Cl)cc1 40395964 SJLVKOBXTDZCCX-UHFFFAOYSA-N 371.853 2.998 30 40 FFEB CC1=C(C(=O)OCCC#N)[C@H](c2cccc([N+](=O)[O-])c2)C([N+](=O)[O-])=C(C)N1 39400670 LCGNJEFUQJRJFH-HNNXBMFYSA-N 372.337 2.521 30 40 FFEB biogenic N#Cc1c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCC2 17074247 RYXMVXQAXNBIMW-DHMWGJHJSA-N 360.435 2.705 30 40 FFEB Cc1cccc(N2/C(=N\C(=O)CC(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 101312474 NOCJXLYVJCCLQX-WPIBOPBSSA-N 366.508 2.643 30 40 FFEB CCOc1ccc(NC(=O)/C(Cc2nc3ccccc3nc2O)=N/O)cc1 104294811 SIFRMNSUCYOQPL-HAVVHWLPSA-N 366.377 2.746 30 40 FFEB Cc1ccc(C)c(N(CC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)c1 20236754 BTXGDCXYSVDVAG-UHFFFAOYSA-N 371.462 2.774 30 40 FFEB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N(C)CCC#N)c2C1 3285261 WDIYQIFQYAOKER-AWEZNQCLSA-N 365.433 2.888 30 40 FFEB CCOC(=O)/C(C(C)=O)=C1\N=C(NC(=O)c2cccs2)c2ccccc21 1889229 XMTHETZIKSCGTM-NXVVXOECSA-N 368.414 2.802 30 40 FFEB N#CCCNC(=O)COC(=O)c1ccccc1SCc1cscn1 12883925 LMHKOLUTLDRYLO-UHFFFAOYSA-N 361.448 2.622 30 40 FFEB CCOc1cc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)ccc1OC 408729248 YQNUEENICSVLQD-QPJQUSPXSA-N 366.417 2.625 30 40 FFEB CCOc1ccc(C(=O)N2CCN(c3ccc(N)cc3C#N)CC2)cc1 70462144 BTDMUZDXRTZALQ-UHFFFAOYSA-N 350.422 2.502 30 40 FFEB CCOC(=O)[C@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 218032558 CTHVNZYEIIDUDK-LNLFQRSKSA-N 355.415 2.699 30 40 FFEB CCCCC[C@@H](/C=N/NC(N)=S)C(O)(C(F)(F)F)C(F)(F)F 5854421 GKGNUCJQSXGTOC-XONYVICBSA-N 353.332 2.858 30 40 FFEB O=C1C=CC(=N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)C=C1 16779878 AKIWAZUVARIDDL-XUTLUUPISA-N 350.399 2.958 30 40 FFEB Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 8282815 ZIFGNGHMXZHCAE-AWEZNQCLSA-N 370.482 2.794 30 40 FFEB CCOc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2Cc2cccnc2)cc1 870991 OFOBASGNIHZMAG-SFHVURJKSA-N 352.390 2.965 30 40 FFEB CN1/C(=C\C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C(C)(C)c2ccccc21 103090905 GTTYTSMXEOJSSD-COQDENBGSA-N 364.445 2.818 30 40 FFEB Cc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N/N=C\c3ccco3)S2)cc1C 6846227 SMESDSSDEALFHS-HNIBHBHRSA-N 370.434 2.847 30 40 FFEB O=S(=O)(/N=C(\O)c1ccccc1F)c1ccc2c(c1)OCCCO2 42338891 NRUKRPTWPYHFOY-UHFFFAOYSA-N 351.355 2.681 30 40 FFEB N#Cc1ccccc1N1C(=O)C[C@H](Sc2ccccc2C(=O)O)C1=O 938432 FNEUGFANTVALRM-HNNXBMFYSA-N 352.371 2.681 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccccc2[N+](=O)[O-])cc1 9374898 OQLNQPZIBKFFIW-INIZCTEOSA-N 368.345 2.812 30 40 FFEB Cc1cccc(NCC(=O)N[C@@](C)(C#N)C(C)C)c1C(=O)N1CCCC1 55846554 IEFWOLFGCOMLFL-FQEVSTJZSA-N 356.470 2.697 30 40 FFEB C[C@@H]1CN(C(=O)c2ccc(CNc3ccc(C#N)cn3)cc2)C[C@@H](C)O1 58180361 WHQSCLBCOPHABT-HUUCEWRRSA-N 350.422 2.815 30 40 FFEB Cc1ccc(-c2nnc(SCC(=O)NC3(C#N)CCCC3)n2C)cc1 8734199 BHZJLGVALAVRIR-UHFFFAOYSA-N 355.467 2.835 30 40 FFEB Cc1csc([C@@H](C#N)C(=O)COC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n1 6606135 MGYZTTAVCYXIIJ-GJBLVYBDSA-N 371.374 2.793 30 40 FFEB CCOc1ccccc1[C@H](CC(C)C)Nc1c(C#N)c(=O)n(C)c(=O)n1C 72307340 MZAOLECOFAJGEN-INIZCTEOSA-N 370.453 2.554 30 40 FFEB N#Cc1ccc(CN2CC[C@@H](NC(=O)c3sccc3Cl)C2=O)cc1 565041378 FLQSWICNDUDZKK-CQSZACIVSA-N 359.838 2.804 30 40 FFEB N#Cc1ccc(N2C[C@H]3CN(C(=O)Cc4ccccc4Cl)C[C@H]3C2)nc1 1888876377 UOVHYTNBSXDTBA-CALCHBBNSA-N 366.852 2.744 30 40 FFEB C=CCn1c(=O)c2ccccc2n(CC(=O)Nc2c(C)cccc2C)c1=O 51316060 BRRHBCQHWGEMRU-UHFFFAOYSA-N 363.417 2.605 30 40 FFEB C=CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O 51316049 SPFXDGCYXHVZBS-UHFFFAOYSA-N 369.808 2.641 30 40 FFEB Cc1nn(Cc2ccc(C#N)cc2)c(C)c1S(=O)(=O)N1CCCCC1 7024520 NQIZBHJKZQXCIO-UHFFFAOYSA-N 358.467 2.595 30 40 FFEB COc1ccc(/C=N/OCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1OC 107445666 SPACYFSIIMZRTO-PDQVELGASA-N 360.454 2.995 30 40 FFEB C=CCN(CCc1ccccc1)C(=O)CSCC(=O)Nc1cc(C)on1 58181055 GDXLIFNTKALXIN-UHFFFAOYSA-N 373.478 2.912 30 40 FFEB Cc1ccc(/N=C2/C(=O)N(CN3CCN(C)CC3)c3ccccc32)cc1C 408718393 WODDQMRMMMYZHV-XTQSDGFTSA-N 362.477 2.976 30 40 FFEB C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(OC)cc3OC)cc2C1=O 5461199 WWPINPWTTPFKBU-UHFFFAOYSA-N 366.373 2.738 30 40 FFEB C[C@@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)NC1(C#N)CCC1 602917458 CSQLDUZZVIDWPI-LYRGGWFBSA-N 365.836 2.850 30 40 FFEB N#Cc1ccnc(N2CCC[C@H](COc3ncc(Br)cn3)C2)c1 1775995980 PLASKNYZSCWYAO-ZDUSSCGKSA-N 374.242 2.801 30 40 FFEB CC(=O)c1c(C)[nH]c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1C 14092675 YHRJEIDKLIBKNN-UHFFFAOYSA-N 364.449 2.664 30 40 FFEB COc1cc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3ncnn32)cc(OC)c1OC 16993614 NHOWQSUJEXBSLN-QGHHPUGFSA-N 370.409 2.572 30 40 FFEB Cc1c([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc(C#N)n1C 32814654 GFVQCONQIFIFBM-BEFAXECRSA-N 350.422 2.951 30 40 FFEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(N3CCCCC3)o1)[C@@H]1C=C[C@@H]2C12CC2 100496125 WIMVPYBEPMZMEC-AXVSAEEBSA-N 365.433 2.801 30 40 FFEB COC(=O)CSc1nc(N2CCCC2)c2c(c1C#N)CC(C)(C)OC2 13765375 CGDDLTHDKVLYEV-UHFFFAOYSA-N 361.467 2.670 30 40 FFEB C=CC(=O)Nc1cccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)c1 1603039115 RCVHWCAPRMNDDJ-UHFFFAOYSA-N 352.419 2.525 30 40 FFEB C#CCOc1c(Br)cc(/C=C2/SC(=O)NC2=O)cc1OC 15009025 NLIAKAMREVRFNU-YRNVUSSQSA-N 368.208 2.794 30 40 FFEB COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(C#N)cc1)CC2 2624308 IDDZHDNCRRDRCW-UHFFFAOYSA-N 351.406 2.572 30 40 FFEB CC[C@@H](C#N)N(Cc1cccc(CN(C(C)=O)[C@@H](C#N)CC)c1)C(C)=O 1647936 UOONXSFQZJSYHA-BGYRXZFFSA-N 354.454 2.988 30 40 FFEB CCCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(C#N)cc1 25654691 GCTYIOIBWBAOCO-INIZCTEOSA-N 372.446 2.799 30 40 FFEB C=CCNC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 3319386 PCFXVGSCDBHRJH-UHFFFAOYSA-N 361.401 2.998 30 40 FFEB CC(=O)N(c1ccc(C)c(C)c1)c1nc(Cn2cnc(C#N)n2)cs1 14143827 MVEKKELYQJFFPE-UHFFFAOYSA-N 352.423 2.956 30 40 FFEB Cc1ccc(-n2c(=O)c(C#N)cc3c(=O)n4cccc(C)c4nc32)cc1C 6809452 VCSYDXOLMPYYBB-UHFFFAOYSA-N 356.385 2.796 30 40 FFEB CN(CC(=O)Nc1ccccc1Cl)C(=O)CNc1cccc(C#N)c1 15294442 LTWUKZQQQYFZOP-UHFFFAOYSA-N 356.813 2.721 30 40 FFEB Cc1cc(C=Nn2c(O)nc3ccccc3c2=O)c(C)n1-c1ccccn1 409354203 ACHWPCVARRNLBX-UHFFFAOYSA-N 359.389 2.787 30 40 FFEB CCOc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 408537887 XYQARANWGGGZDB-KRWDZBQOSA-N 365.389 2.995 30 40 FFEB COc1ccccc1OCC#CCNC(=O)COc1ccc(Cl)cc1 90610368 AHEFFVUQUWPBGD-UHFFFAOYSA-N 359.809 2.926 30 40 FFEB COC(=O)[C@](F)(OC(F)(F)C(F)(F)Br)C(F)(F)F 103543896 FWURRLSPMZESBJ-VKHMYHEASA-N 354.975 2.985 30 40 FFEB COc1ccc(S(=O)(=O)CCCC(=O)Nc2sccc2C#N)cc1 10218759 CDWJURYOMUFQOC-UHFFFAOYSA-N 364.448 2.821 30 40 FFEB CNc1oc(-c2cc(S(=O)(=O)N(C)c3ccccc3)c(C)o2)nc1C#N 40288087 SINARIRJYMBWQN-UHFFFAOYSA-N 372.406 2.982 30 40 FFEB C=CCNC(=O)CSc1nc2ccccc2c(=O)n1Nc1ccccc1 2732428 AKHALCCNLAEMKF-UHFFFAOYSA-N 366.446 2.666 30 40 FFEB N#Cc1ccccc1NC(=O)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1 77100448 AUPVRPKUKHYOAZ-UHFFFAOYSA-N 374.282 2.685 30 40 FFEB O=C(COc1ccc(Cl)cc1)NCC#CCOc1ccc2c(c1)OCO2 90610505 BPXHGKOIOFCDBC-UHFFFAOYSA-N 373.792 2.646 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2cccc(F)c2)cc1OC 5408809 TXXJDAJWOMAPGJ-INIZCTEOSA-N 357.337 2.709 30 40 FFEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc2c(c1)OCCO2 4926280 FARGSCHMSPHKFC-UHFFFAOYSA-N 372.764 2.778 30 40 FFEB C=CCO[C@H]1CCN(CC(=O)Nc2cc(C)nn2-c2ccccc2F)C1 1116541509 GVYUUCQSPONFML-HNNXBMFYSA-N 358.417 2.535 30 40 FFEB C#CCNC(=O)CN(Cc1ccccc1)[C@H](C)c1cccc(NC(C)=O)c1 40051377 TUZFIOOJEFDDRO-QGZVFWFLSA-N 363.461 2.958 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(O)cc1 102799358 JBOIZCPXOWOVFY-GHNGSUTGSA-N 367.401 2.769 30 40 FFEB COc1cc(NC(C)=O)c(C(=O)OCc2ccc(C#N)cc2)cc1OC 9923262 BKWKZNZTCURCJH-UHFFFAOYSA-N 354.362 2.891 30 40 FFEB N#Cc1cc2cc3c(cc2nc1NCCNC(=O)c1cccs1)OCO3 35311316 GRXQBSGVHRJYBI-UHFFFAOYSA-N 366.402 2.739 30 40 FFEB COc1ccc(OC)c([C@H]2/C(=C(/C)O)C(=O)C(=O)N2Cc2cccnc2)c1 1772492255 KXXLFTLXQBQSQT-WQJNHMDYSA-N 368.389 2.583 30 40 FFEB C=CCOC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1cccc(OC)c1 2055747573 IYQIDAMVWIACSJ-HXUWFJFHSA-N 368.481 2.999 30 40 FFEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccccc1F 102877626 ARMFINHJIRAUQD-UYTDBDHRSA-N 359.353 2.877 30 40 FFEB COc1cc2c(cc1OC)CN([C@H](C)C(=O)NC1(C#N)CCCCC1)CC2 7990133 QGLJIJHKSHPICN-OAHLLOKOSA-N 371.481 2.793 30 40 FFEB COc1ccccc1/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccccc2)S1 9348833 JQFWPUWESRSUFB-OAHLLOKOSA-N 355.419 2.943 30 40 FFEB CC1(C)OB(C2CCN(C(=O)N[C@@H]3CCCOCC3)CC2)OC1(C)C 1776007591 NOHILQNVVATVBK-OAHLLOKOSA-N 352.284 2.823 30 40 FFEB CCN1CCN(c2ccccc2NS(=O)(=O)c2cccc(C#N)c2)CC1 12561202 HHMKWZCDBSDZBP-UHFFFAOYSA-N 370.478 2.501 30 40 FFEB COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2N)cc1OC 16756095 BASLJIJTAPTQMI-UHFFFAOYSA-N 367.434 2.840 30 40 FFEB CC(C)CNS(=O)(=O)c1cc(C(=O)OCC#N)c(Cl)cc1Cl 6762282 IXELMFJGJVJEHY-UHFFFAOYSA-N 365.238 2.608 30 40 FFEB N#Cc1cccnc1N1C[C@@H]2CN(Cc3csc(C4CC4)n3)C[C@@H]2C1 2086962038 NQRSRFKBDJBYBN-IYBDPMFKSA-N 351.479 2.855 30 40 FFEB COC(=O)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccccc2)cc1 5517316 XXVYEEDFUOWRAJ-KRWDZBQOSA-N 350.374 2.984 30 40 FFEB N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)CC2)nc1 171742611 CQHGROSTFCOIAM-CVEARBPZSA-N 368.387 2.684 30 40 FFEB COc1cccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1 408530672 FORDBPJYTXKSLE-MRXNPFEDSA-N 351.362 2.605 30 40 FFEB COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC#N)cc(OC)c1OC 55243763 DTQHIYZOPBPETJ-CVAIRZPRSA-N 360.454 2.904 30 40 FFEB biogenic CC1=C/C(=N\Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC(C)(C)C1 5414852 VFUXMJGDVBPWRB-GZTJUZNOSA-N 352.416 2.776 30 40 FFEB N#Cc1ccnc(OC[C@H]2CCCN(c3ncc(Br)cn3)C2)c1 1776001776 LKGVKDQNJOUVBN-ZDUSSCGKSA-N 374.242 2.801 30 40 FFEB N#CC1(C(=O)N2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)CCCC1 1614929672 MHYBPAQWLXOKPG-NRFANRHFSA-N 366.465 2.507 30 40 FFEB CSc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(C(=O)O)nn32)cc1 5348640 HCDXDRZVZPMBGJ-AWEZNQCLSA-N 356.407 2.720 30 40 FFEB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)/N=C1/C=CC(=O)c2ccccc21 102628609 ZJTFJYBIXZOCIY-SDXDJHTJSA-N 356.359 2.834 30 40 FFEB CC(C)C(=O)N1CCN(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)CC1 57456958 RQNXDQKDARIKJG-XSFVSMFZSA-N 369.509 2.667 30 40 FFEB CC(C)N1C(=O)/C(=N/NC(=S)NCc2ccccc2)c2ccccc21 109036183 NMOHLYUNHAQICW-HEHNFIMWSA-N 352.463 2.810 30 40 FFEB COc1ccccc1OCCC(=O)OCC(=O)Nc1cccc(C#N)c1 3309260 YQACWVIVVOYBCC-UHFFFAOYSA-N 354.362 2.518 30 40 FFEB Cc1nc2ccccc2c(=O)n1CCCC(=O)NCc1ccc(C#N)cc1 45931485 ZRNZACVAJKRADK-UHFFFAOYSA-N 360.417 2.673 30 40 FFEB N#CCCn1cc(C(=O)Cn2nnc3ccccc3c2=O)c2ccccc21 7735469 RMFLIYSAHJCEIR-UHFFFAOYSA-N 357.373 2.543 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1 21597969 DSAFVFMJFYUGOM-UHFFFAOYSA-N 363.417 2.982 30 40 FFEB C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 75298483 QDHCUTUDJJELKB-SNRMKQJTSA-N 353.466 2.980 30 40 FFEB CN1CCC[C@@H](C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)C1 90730343 YDATXNBNWVAMJQ-CQSZACIVSA-N 354.372 2.546 30 40 FFEB CN1Cc2c(N3CCOCC3)nc(SCCC#N)c(C#N)c2CC1(C)C 13138500 ILZFCNJYFFIJRD-UHFFFAOYSA-N 371.510 2.562 30 40 FFEB CC(=O)C(=NNc1ccc(-n2c(C)nc3ccccc3c2=O)cc1)C(C)=O 1652569 NLWFCMURJMIEQO-UHFFFAOYSA-N 362.389 2.640 30 40 FFEB CCOC(=O)[C@H]1C(=O)C[C@@](O)(c2ccccc2)[C@@H](C#N)[C@H]1c1ccccc1 4566123 LOACLDDBDOFPHY-ZJDLJICXSA-N 363.413 2.950 30 40 FFEB CCCn1nc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)ccc1=O 23881599 ZMVOHZUNDYENTB-UHFFFAOYSA-N 358.401 2.700 30 40 FFEB CN(CC(=O)N[C@](C)(C#N)C1CC1)Cc1cc(Br)ccc1F 58201901 RYTCNQRLFLKEGW-MRXNPFEDSA-N 368.250 2.828 30 40 FFEB CN(C)/C=N/c1nnc(N2CCN(c3cccc(Cl)c3)CC2)s1 4414746 OMKJZUMBACSNCT-GZTJUZNOSA-N 350.879 2.740 30 40 FFEB Cc1cc(C2CCN(S(=O)(=O)c3cccc(Cl)c3C#N)CC2)[nH]n1 96008925 PTAUUKOREXLDMP-UHFFFAOYSA-N 364.858 2.812 30 40 FFEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)[C@@H]2Oc3ccccc3[C@@H]2C)s1 83150506 KBCWSCLVGMJIFD-ISVAXAHUSA-N 352.437 2.970 30 40 FFEB C[C@@H](CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccco1 529161341 SVARLYGHSGPTNT-YOEHRIQHSA-N 351.406 2.562 30 40 FFEB CC(C)(C)N1C(=O)CS[C@@H](C(=O)NC2CC2)[C@@H]1c1cccc(C#N)c1 952964516 DWLWSRKLHPJNLG-DLBZAZTESA-N 357.479 2.620 30 40 FFEB N=C(N)c1ccc(OCCCCCOc2ccc(/C(N)=N/O)cc2)cc1 6092670 UREYBSXWRHBDHQ-UHFFFAOYSA-N 356.426 2.693 30 40 FFEB in-vitro N#Cc1ccc(C(=O)OCC(=O)NCc2ccc(Br)cc2)cc1 72333904 KNWJNQCQUJNHTQ-UHFFFAOYSA-N 373.206 2.794 30 40 FFEB N#Cc1ccc(NCCNC(=O)c2csc(Br)c2)nc1 24983104 VAVVIBFVZUMABH-UHFFFAOYSA-N 351.229 2.619 30 40 FFEB N#Cc1ccc(OCC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1 58174331 XQQGSHNCHISRBE-UHFFFAOYSA-N 369.465 2.625 30 40 FFEB CCOC(=O)c1cnc(SCc2cn3ccccc3c2C#N)nc1N 10269044 QEFFMXSZAIWQFY-UHFFFAOYSA-N 353.407 2.652 30 40 FFEB Cc1cc(=O)oc(C)c1C(=O)OCc1c(C#N)c(C)nn1-c1ccccc1 10874797 QPTGXLLEADEVLH-UHFFFAOYSA-N 363.373 2.979 30 40 FFEB N#Cc1ccccc1NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O 3463399 NPBCJEHVMFIQPJ-UHFFFAOYSA-N 354.410 2.532 30 40 FFEB CCN(CC)c1ccc(/C=N/n2c(S)nnc2-c2cc(C)n[nH]2)cc1 5625417 GTDLCSXDBJKOHF-WOJGMQOQSA-N 355.471 2.994 30 40 FFEB C[C@H](OC(=O)c1cc2ccccc2oc1=O)C(=O)Nc1cccc(C#N)c1 5738807 MBSCRESCUAYLSP-LBPRGKRZSA-N 362.341 2.849 30 40 FFEB CCNC(=O)C[C@H]1S/C(=N\c2ccc(Br)cc2)N(C)C1=O 18173331 VEJUEEGQVVIGOS-YOEHMKRZSA-N 370.272 2.537 30 40 FFEB CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1 32506874 DARCDLGFGWROTN-LQBMZVQASA-N 366.508 2.643 30 40 FFEB CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224896524 UCIYXSKOJIQYNQ-UHFFFAOYSA-N 357.435 2.926 30 40 FFEB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)CO)cc1 225653782 UXFDVQWDMPUCPL-AQNXPRMDSA-N 355.459 2.999 30 40 FFEB CSc1c[nH]nc1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 95466389 IZAHJXMYOLLZMD-UHFFFAOYSA-N 362.358 2.823 30 40 FFEB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3Cc2ccc(C#N)cc2F)nn1 1888850263 FUNOSAMXTOTVNR-JWTNVVGKSA-N 355.417 2.803 30 40 FFEB N#Cc1cccc(C(=O)N2CCC[C@@H](n3cnc4ccccc4c3=O)C2)c1 575615594 DXXORUJNIVDGPX-QGZVFWFLSA-N 358.401 2.745 30 40 FFEB CN1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccc(F)cc2)C3=O)CC1 22575469 WHIQGPFSCNMCKX-UNOMPAQXSA-N 368.408 2.895 30 40 FFEB O=C1C(=Cc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)c2ccccc21 100075730 BEGSGMCKSXNJEM-UHFFFAOYSA-N 369.245 2.874 30 40 FFEB CNc1oc(-c2cc(S(=O)(=O)N3CCCCCC3)c(C)o2)nc1C#N 40287716 JGCPECFFPNANKO-UHFFFAOYSA-N 364.427 2.721 30 40 FFEB N#Cc1ccccc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9064350 VNYOFOPMRYGYBR-UHFFFAOYSA-N 352.350 2.555 30 40 FFEB C=CCOC[C@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22805113 XDUOKOAQPWWUIC-JOCHJYFZSA-N 366.505 2.957 30 40 FFEB C/C(=N\Nc1cn[nH]c(=O)c1Cl)c1cc(Br)ccc1O 7031113 YIQBLCOZSSYUOR-OMCISZLKSA-N 357.595 2.728 30 40 FFEB CC(C)S(=O)(=O)N(C)C(=O)c1cccc(COc2ccccc2C#N)c1 72310850 YDLKKMCZKJKRMW-UHFFFAOYSA-N 372.446 2.947 30 40 FFEB C=CCN1C(=O)/C(=C/c2cccn2-c2ccccc2C)C(=O)NC1=S 408964255 QFIPKOFPMIENDX-NTCAYCPXSA-N 351.431 2.598 30 40 FFEB N#Cc1c(F)cccc1N1CCN(C(=O)NC2Cc3ccccc3C2)CC1 186675235 VIRZENKWUBKCRP-UHFFFAOYSA-N 364.424 2.696 30 40 FFEB N#CCCn1cc(C(=O)N2CCCCC2)c(-c2ccc3c(c2)OCCO3)n1 5000352 UOHUNMVPXCNLHH-UHFFFAOYSA-N 366.421 2.861 30 40 FFEB COc1ccc(OC)c([C@@H]2O[C@@]3(C)OC(=N)[C@](C#N)([C@H]3C)C2(C#N)C#N)c1 102718840 GFHRKJBJWRYYFO-FGLZHVGKSA-N 366.377 2.678 30 40 FFEB C[C@@H](CN1C(=O)/C(=C/c2ccc(C#N)cc2)N=C1S)Cn1ccnc1 988128 ARAZJOFXSWSELB-KHAFMBKQSA-N 351.435 2.560 30 40 FFEB C=CCN(Cc1cccs1)C(=O)c1cccc(NS(C)(=O)=O)c1 23739233 XNUFBCDGTIYBQQ-UHFFFAOYSA-N 350.465 2.948 30 40 FFEB CCn1cc(C#N)c(=O)n(Cc2csc(-c3ccc(Cl)cc3)n2)c1=O 10852373 KGFHXKABGBSCQM-UHFFFAOYSA-N 372.837 2.727 30 40 FFEB Cc1cc(C(=O)COc2ccc(C#N)cc2)c(C)n1[C@H]1CCS(=O)(=O)C1 6648323 BWIYPDMZGFILMW-INIZCTEOSA-N 372.446 2.598 30 40 FFEB CCCc1cc(=O)[nH]c(SCC(=O)Nc2cc(Cl)ccc2C#N)n1 6995393 FLJXMYPXRMPSGI-UHFFFAOYSA-N 362.842 2.978 30 40 FFEB C=CCN(C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)c1ccccc1 7473452 XYYZQATZDQWVGV-YWZLYKJASA-N 355.438 2.706 30 40 FFEB C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@@H](CN3CCSCC3)C(=O)O[C@@H]1C2 61992851 ISRUYQDZFXREJX-INRFCZIPSA-N 351.512 2.562 30 40 FFEB biogenic CCOC(=O)/C(=N\Nc1ccccc1C(=O)OC)C(=O)c1ccccc1 5672509 YZOWHNGSTNNEEX-PGMHBOJBSA-N 354.362 2.687 30 40 FFEB N#C[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 20503020 XWNJGDKDMIFFFC-FYQPLNBISA-N 355.397 2.721 30 40 FFEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 102566906 XGJVCMRRJUTHPJ-IBOXJLQUSA-N 368.345 2.655 30 40 FFEB N#Cc1cn(CC(=O)N2CCCCC2)c2ccc(Br)cc2c1=O 103262544 AJGPBAIXPRYOSI-UHFFFAOYSA-N 374.238 2.648 30 40 FFEB CCOC(=O)N[C@@H](C(=O)Nc1nc(C)c(SCC#N)s1)C(C)C 53650699 OTHFHIMVKIRZRH-SNVBAGLBSA-N 356.473 2.776 30 40 FFEB COCc1cc(C)n(CC(=O)Nc2cc(Cl)ccc2C)c(=O)c1C#N 810870 DOCUIIMVESPBTL-UHFFFAOYSA-N 359.813 2.775 30 40 FFEB C=CCn1c(Cc2csc(NC(=O)c3cnc(C)cn3)n2)n[nH]c1=S 24830300 WJQNOWBATJGTDL-UHFFFAOYSA-N 373.467 2.525 30 40 FFEB N#Cc1ccsc1NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 36879664 NJUVPVASGWGMCB-UHFFFAOYSA-N 369.427 2.920 30 40 FFEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)cc1 4312395 ABNSXPAMIOVJRB-WOOAAIBNSA-N 364.445 2.978 30 40 FFEB C=CCN1C(=O)N/C(=C/c2cc(OCC)c(O)cc2Br)C1=O 4736592 QNXDSRHMMRKWGL-IZZDOVSWSA-N 367.199 2.632 30 40 FFEB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)NC2(C#N)CCCC2)c1 7718526 MFHZEUDMXVIHDX-KRWDZBQOSA-N 357.454 2.793 30 40 FFEB N#Cc1cccc(N2C[C@@]3(F)CN(Cc4cccc(O)c4)C[C@@]3(F)C2=O)c1 306139667 TXAFEZLSYVVHPA-VQTJNVASSA-N 369.371 2.543 30 40 FFEB C#CCCCC(=O)N(C)CCN(C)C(=O)[C@@H]1CC[C@H](c2ccccc2)O1 1582944585 AXBOIUUIXOJAPK-MOPGFXCFSA-N 356.466 2.627 30 40 FFEB O=C(O)c1ccc(N/N=C2\C(=O)N(C3CSC3)c3c(F)cccc32)cc1 223756570 SLKFPJUDUPOGAC-QNGOZBTKSA-N 371.393 2.802 30 40 FFEB COc1cccc(NC(=S)N/N=C/c2ccc(N3CCOCC3)cc2)c1 3320068 ZNXOAMBYHLMVGQ-XSFVSMFZSA-N 370.478 2.852 30 40 FFEB C=CCOc1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 13688897 BMDZRRPEVVGHEA-CALCHBBNSA-N 354.406 2.531 30 40 FFEB N#Cc1ccc(N2C[C@@H]3CCN(C(=O)c4ccccc4Cl)[C@H]3C2)nc1 1889138999 WZJPAYLNTRQTNH-YOEHRIQHSA-N 352.825 2.958 30 40 FFEB Cc1ccc(S(=O)(=O)CCC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc1 12550371 BYMBRDSOQRLQRE-HNNXBMFYSA-N 367.430 2.912 30 40 FFEB CC1CCC(C#N)(N(C)C(=O)CN2CCN(c3ccccc3)CC2)CC1 57290122 BDCGZPUOZZECNO-UHFFFAOYSA-N 354.498 2.739 30 40 FFEB N#Cc1ccsc1NC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 48362822 RACHMSBHENPUCK-UHFFFAOYSA-N 356.382 2.876 30 40 FFEB CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1cccc(O)c1 4194099 BDHQILMLAVLKCX-ZDUSSCGKSA-N 355.419 2.762 30 40 FFEB Cc1cc(C)cc(OCC(=O)O/N=C(\N)Cc2ccc([N+](=O)[O-])cc2)c1 4690356 ZMFALMAIGBFQMA-UHFFFAOYSA-N 357.366 2.649 30 40 FFEB N#Cc1c(F)cccc1NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1 36394891 HIYRSRUFDRKRAG-UHFFFAOYSA-N 366.396 2.888 30 40 FFEB Cc1ccc(-n2nc(C#N)c(N3CCN(c4ccccc4F)CC3)n2)cc1 256045809 BBNZVMGXGDLDPJ-UHFFFAOYSA-N 362.412 2.913 30 40 FFEB N#C[C@H]1CN(C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)CCO1 609283078 PHQXGBLUTFQBKA-IBGZPJMESA-N 363.417 2.722 30 40 FFEB Cc1c(Cl)cnc(N2CCN(Cc3cn4ccccc4n3)CC2)c1C#N 612069261 GYWLNGOMRARMKI-UHFFFAOYSA-N 366.856 2.885 30 40 FFEB COc1ccc(/C=N\NC2=NC(=O)[C@@H](c3ccccc3)S2)c(OC)c1 13547952 GKFVHMZMICJZDI-VXIUPONVSA-N 355.419 2.998 30 40 FFEB N#Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 4176893 FBZQPYCOJBSGTM-UHFFFAOYSA-N 355.419 2.595 30 40 FFEB N/C(=N\S(=O)(=O)c1ccc2ccccc2c1)NCCc1ccccc1 13116734 OGDYXGCPACJOPR-UHFFFAOYSA-N 353.447 2.676 30 40 FFEB CC1(C)CC(=O)C([C@@](O)(C(=O)O)C(F)(F)F)=C(NCc2ccccc2)C1 101411760 BQHROQKTNQNITG-QGZVFWFLSA-N 371.355 2.797 30 40 FFEB C=CCN1C(=O)c2ccc(C(=O)OCc3nc4ccccc4o3)cc2C1=O 8334061 XNNOWVZHDBEZJH-UHFFFAOYSA-N 362.341 2.967 30 40 FFEB O=C(O[C@@H]1CN2CCC1CC2)[C@](O)(C#Cc1ccccc1)c1ccccc1 1640678 IHKNDYGDKUBCFR-GGAORHGYSA-N 361.441 2.563 30 40 FFEB O=C1Oc2ccccc2C(=O)/C1=C/N1CCN(c2ccccc2F)CC1 723774 APSGNVNWVOSXGT-SQFISAMPSA-N 352.365 2.634 30 40 FFEB Cc1c(C#N)c(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)n(Cc2ccco2)c1C 23479807 SNJKMHWEPOCUNU-KBPBESRZSA-N 370.453 2.666 30 40 FFEB COc1ccc(Br)cc1/C=C/C(=O)[C@H]1C(=O)C=C(C)OC1=O 25638072 XEMIIWVZEYNDED-UJAVWCLSSA-N 365.179 2.686 30 40 FFEB C=CCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1 2244581 DZRMNMRRCDRJOQ-SOUVJXGZSA-N 366.421 2.580 30 40 FFEB COc1ccc([C@@H]2C3=C(CCCC3=O)Oc3ncn4nc(C)nc4c32)cc1 5346209 SPLSRAAAZVYXRF-MRXNPFEDSA-N 362.389 2.973 30 40 FFEB COc1ccccc1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 14182391 MMUYTDAZQKSFQX-SFHVURJKSA-N 353.397 2.857 30 40 FFEB C=CCN1C(=O)c2ccc(C(=O)NCCc3ccc(F)cc3)cc2C1=O 8077576 ABJGBDKYCNJZGH-UHFFFAOYSA-N 352.365 2.580 30 40 FFEB CC(C)N(C[C@@H](O)c1ccc(O)c(O)c1)C(=O)Nc1cccc(C#N)c1 95976755 OLCMNTTYDCRNIZ-GOSISDBHSA-N 355.394 2.945 30 40 FFEB CNc1oc(-c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)nc1C#N 36627826 NMQWTNWELRLHAL-GFCCVEGCSA-N 360.439 2.676 30 40 FFEB CCOC(=O)[C@]1(C#N)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 242548247 LFFVDKQMSSURFX-YQVWRLOYSA-N 373.405 2.838 30 40 FFEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 620317726 WPDDREJRUBAODW-CALCHBBNSA-N 360.479 2.794 30 40 FFEB C#CCn1/c(=N/C(=O)Cc2ccccc2)sc2cc(C(=O)OC)ccc21 100875161 LEUXLNIVRDPFPB-MRCUWXFGSA-N 364.426 2.793 30 40 FFEB C/N=C1\S[C@@H](CC(=O)Nc2ccc(C)cc2Br)C(=O)N1C 101127062 CUZVFNJLVMZFFE-NLPIWRNCSA-N 370.272 2.646 30 40 FFEB COc1ccc(OC)c([C@H]2O[C@]3(C)OC(=N)[C@]2(C#N)C(C#N)(C#N)[C@H]3C)c1 100774003 AWPUFUSRPAOQJY-VCWVEYATSA-N 366.377 2.678 30 40 FFEB CC(C)COc1ccccc1/C=N\Nc1ncc(F)c(N2CCOCC2)n1 408604596 VPXBDMKCDQVXJQ-JJFYIABZSA-N 373.432 2.933 30 40 FFEB COc1ccccc1/N=C\[C@@H]1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 408762373 OIVWEAJXHCRKPM-LPKQHDGYSA-N 367.430 2.770 30 40 FFEB Cc1cc(C)cc(OCC/N=C(/O)N2CCO[C@](C)(c3cnn(C)c3)C2)c1 329954724 OMSSJABQESNWTK-FQEVSTJZSA-N 372.469 2.577 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@H]31 222372405 PYFMQUCYIDMEMK-QBYFIZMKSA-N 371.780 2.635 30 40 FFEB COc1cc2c(cc1OC)N(C1CSC1)C(=O)/C2=N\Nc1ccccc1 223734043 VNMLVCQNXWDZHY-UZYVYHOESA-N 369.446 2.982 30 40 FFEB N#Cc1ccc(N2C[C@]3(CCN(C(=O)c4ccsc4)C3)CC2=O)cc1 96238850 PJJGIHXZSAGEPD-LJQANCHMSA-N 351.431 2.889 30 40 FFEB N#Cc1ncccc1N1CCC[C@@H](COc2ncc(Br)cn2)C1 1776001040 WFOZEXMBAFDXTG-GFCCVEGCSA-N 374.242 2.801 30 40 FFEB C=CCN1C(=O)[C@H](CC)S/C1=N/S(=O)(=O)c1ccc(Cl)s1 4538182 KTBMDQWXWPVFHL-OUVQVPGASA-N 364.901 2.986 30 40 FFEB CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1ccccc1C#N 15364000 HBXWKUJMSQLQDH-UHFFFAOYSA-N 355.463 2.979 30 40 FFEB C[C@@](O)(C#Cc1ccccc1)CN[C@H](Cc1c[nH]c2ccccc12)C(=O)O 3168842 BKXXFEZVQGBLIP-IFMALSPDSA-N 362.429 2.556 30 40 FFEB C=CCN1C(=O)NC(=O)/C(=C/c2ccccc2OCc2ccccc2)C1=O 59514544 GXORCSWQGRARBH-LGMDPLHJSA-N 362.385 2.913 30 40 FFEB O=S(=O)(/N=C(\O)c1occc1COc1ccccc1)C1CCOCC1 58182547 UZDLFUVEPXVGMW-UHFFFAOYSA-N 365.407 2.672 30 40 FFEB COC(=O)[C@@H](C#N)c1nc2ccccc2nc1NCC1(O)CCCCC1 58214591 HRSHNNKWZDKFKQ-ZDUSSCGKSA-N 354.410 2.517 30 40 FFEB COCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 2226770 TWONXOCAASIPBA-OAHLLOKOSA-N 368.437 2.807 30 40 FFEB C=CCN1C(=O)N/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)C1=O 409127853 KCWYPIXOGBTVIU-RVDMUPIBSA-N 352.346 2.812 30 40 FFEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1cccc(O)c1 4312401 VSMSORMRCLSBKB-KRWDZBQOSA-N 371.389 2.908 30 40 FFEB biogenic N#Cc1cccc(C(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c1 96005192 AZZIETDBQNLFHD-GOSISDBHSA-N 369.446 2.605 30 40 FFEB Cc1ccc([C@@H]2/C(=C(O)/C=C/c3ccccc3)C(=O)C(=O)N2CCO)cc1 9329921 UVYMPRWPNYAMMU-CSGVIKQLSA-N 363.413 2.965 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(O)cc1 5343033 PBVCVMQEAKVTMG-QGZVFWFLSA-N 353.374 2.617 30 40 FFEB biogenic N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)Cc2ccccc2F)CC1 252549958 RXXGYSHLAPHYLH-SHTZXODSSA-N 354.385 2.536 30 40 FFEB COc1cc(C=Nn2c(S)nnc2-c2ccccc2)cc(OC)c1O 252429439 PFCMORHGMYASKH-UHFFFAOYSA-N 356.407 2.839 30 40 FFEB C=CCc1ccc(OS(=O)(=O)c2ccc3c(c2)OCCO3)c(OC)c1 16087051 TWMXVUDCVCNZEU-UHFFFAOYSA-N 362.403 2.963 30 40 FFEB C=CCNC(=O)NC(=O)CSc1ncc(-c2ccccc2)n1C1CC1 14084341 GGOQYPOHGUIOMN-UHFFFAOYSA-N 356.451 2.989 30 40 FFEB O=S(=O)(Nc1ncccn1)c1ccc(/N=C\c2ccccc2O)cc1 104329879 XKOXWIOXLHFGSO-NDENLUEZSA-N 354.391 2.734 30 40 FFEB COc1ccc2[nH]c3c(=O)n(/N=C/c4ccc([N+](=O)[O-])cc4)cnc3c2c1 2272379 FSRQSPLFXPAEAX-AWQFTUOYSA-N 363.333 2.677 30 40 FFEB C=CCOc1ccc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1OCC 9010303 HJFDKIOPNZUXGY-VURMDHGXSA-N 359.338 2.518 30 40 FFEB CN1CCC(=O)Nc2cc(C(=O)OCCOc3ccc(C#N)cc3)ccc21 95963938 LUHAJRLJKQAJHH-UHFFFAOYSA-N 365.389 2.572 30 40 FFEB N#Cc1ccccc1-c1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)o1 409052733 AENXPNBSIMGDJA-FYHOCBRTSA-N 357.369 2.959 30 40 FFEB CCCCCCCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C 48520851 SWFAOHRAVRZPNH-CQSZACIVSA-N 374.489 2.551 30 40 FFEB CN(C)c1ccc(/N=C\c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 409234021 XTPSBRROJHAEQH-JCMHNJIXSA-N 367.449 2.741 30 40 FFEB CC(C)=C1C[C@@H]2[C@](C)(O)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)CC[C@]2(C)CC1=O 31165561 COBSHSDADSYWJI-XWXKYUBVSA-N 350.455 2.942 30 40 FFEB biogenic,in-vitro CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1 40134706 DZNUFNQMRUNHGK-SDXDJHTJSA-N 363.464 2.813 30 40 FFEB C=CCNC(=S)Nc1nc(N2CCCC2)cc(N2CCC[C@@H](C)C2)n1 225923850 IUGRVFDPCUJNCK-CQSZACIVSA-N 360.531 2.786 30 40 FFEB N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2nccc3ccccc23)C1 225486163 FGWYRHUATIBCQK-HNNXBMFYSA-N 359.389 2.580 30 40 FFEB N#Cc1cc(F)ccc1N1CCC(C(=O)NCCCN2CCCC2)CC1 266451637 XJOJOJSDZCBSJB-UHFFFAOYSA-N 358.461 2.516 30 40 FFEB CN(C)[C@H]1CCC[C@H]1NC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1776007650 RFNWNNGPDRKXRY-CVEARBPZSA-N 365.327 2.737 30 40 FFEB C#CC1(OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)CCCCC1 23118511 UOQIGMZTLWHOOA-HXUWFJFHSA-N 360.473 2.661 30 40 FFEB in-man CS(=O)(=O)N(CC(=O)Nc1cccc(C#N)c1)c1cccc(Cl)c1 7268392 NAPNCCQPKNWMAF-UHFFFAOYSA-N 363.826 2.616 30 40 FFEB NC(=S)N/N=C/c1nc2c3cccnc3ccc2n1Cc1ccccc1 103900138 MKJZSJPUQVBQHG-SSDVNMTOSA-N 360.446 2.800 30 40 FFEB C[C@H]1CCC[C@H]1NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 104813040 QVCWJNCHLIPKAB-UONOGXRCSA-N 369.425 2.826 30 40 FFEB Cc1cccc2c1[nH]c1nc(N/N=C/c3ccc(O)c([N+](=O)[O-])c3)nnc12 96487385 XRMUBOFZONXCPE-QGMBQPNBSA-N 363.337 2.874 30 40 FFEB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(C#N)cc1 16313408 JWCFWZYKJVDRPK-UHFFFAOYSA-N 358.467 2.852 30 40 FFEB C#CCCCCCC(=O)N(C)C[C@H](O)CN(C)C(=O)[C@H](CC)CC(F)F 1775988986 XPKVZFVSHVBGEK-CVEARBPZSA-N 374.472 2.529 30 40 FFEB COc1cccc(/C(O)=N/S(=O)(=O)c2ccc3c(c2)CCC3)c1OC 48612638 AXPZORCUBWJGCO-UHFFFAOYSA-N 361.419 2.886 30 40 FFEB Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccc(O)cc1O)CCCC3 847774 OJGOECABYQQINO-DJKKODMXSA-N 355.419 2.939 30 40 FFEB N#CCCN1C(=O)[C@]2(CCC#N)CCCC[C@@]2(O)N=C1c1ccccc1 1611222 QVFHXGFEIQBMLG-UXHICEINSA-N 350.422 2.742 30 40 FFEB C=CCN(C(=O)c1csnn1)[C@@H](C(=O)NC(C)(C)CC)c1ccccn1 4858869 MJWJRLAQHVHZIT-OAHLLOKOSA-N 373.482 2.607 30 40 FFEB C[C@H]1C(C#N)(C#N)[C@@]2(C#N)C(=N)O[C@@]1(C)O[C@@H]2c1cccc([N+](=O)[O-])c1 102986183 UQYCVIOUEOEUSE-JAOHYVKRSA-N 351.322 2.569 30 40 FFEB N#C[C@H](COC(=O)CCn1cnc2ccccc2c1=O)Cc1cccs1 89866525 LZWOWUBFMGVXMM-CQSZACIVSA-N 367.430 2.774 30 40 FFEB CCCOc1ccccc1/C=N\Nc1ncc(F)c(N2CCOCC2)n1 408600535 CRDNRWNBODILSC-MTJSOVHGSA-N 359.405 2.687 30 40 FFEB O=C(/C=C/c1cnc(N2CCOCC2)s1)c1csc(C(=O)O)c1 106586802 GMPGWKHSQYMGAP-OWOJBTEDSA-N 350.421 2.636 30 40 FFEB CCc1noc([C@H](C)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 36392509 WSIDNCBAWIRRNO-LBPRGKRZSA-N 368.397 2.635 30 40 FFEB C=CCc1c(O)nc(SCC(=O)Nc2ccc(Cl)cc2)[nH]c1=O 2314507 KRNIHSWTPZJROC-UHFFFAOYSA-N 351.815 2.588 30 40 FFEB Cc1ccc(N2C(=O)[C@@H](/C=N\c3cccc(F)c3)C(=O)NC2=S)cc1 408752789 CFNBTQIRUYWBFO-ANQVYJHKSA-N 355.394 2.901 30 40 FFEB N#Cc1c(NC(=O)CCn2cnc3sccc3c2=O)sc2c1CCC2 13019284 OGVRJLNCGRRJIA-UHFFFAOYSA-N 370.459 2.909 30 40 FFEB CC(C)NC(=O)CO/N=C1/CCCOc2ccc(Br)cc21 97207255 ZXCNJLGVLDDVRD-AQTBWJFISA-N 355.232 2.867 30 40 FFEB CCc1ccccc1N=C[C@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O 408534148 LNOJCYGPLZMYRN-ZDUSSCGKSA-N 353.353 2.990 30 40 FFEB C=CCN1C(=O)CCC[C@@]12CCCN(S(=O)(=O)c1cccc(C)c1)C2 96229969 ANEWTRGLWNLWQP-IBGZPJMESA-N 362.495 2.717 30 40 FFEB C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 594335417 NLJJXUBYZBNUIU-DNVCBOLYSA-N 361.445 2.938 30 40 FFEB CC(C)C(=O)N1CCCC[C@H]1C(=O)NCCSCc1ccccc1C#N 55037877 YGZDRZBBJAMRSI-SFHVURJKSA-N 373.522 2.945 30 40 FFEB Cc1ccc(S(=O)(=O)N/N=C/c2nnsc2-c2ccccc2)cc1 4265456 QMISPZYBAHWOKD-GZTJUZNOSA-N 358.448 2.826 30 40 FFEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OC(C)=O 12403672 YUJVVIIATUFOBU-RQZCQDPDSA-N 374.309 2.883 30 40 FFEB COc1cc(OC)c([C@H]2Nc3nonc3NC3=C2C(=O)CCC3)cc1OC 12389746 AABUAJFNDCALFA-MRXNPFEDSA-N 372.381 2.681 30 40 FFEB Cc1ccc(N2/C(=N/C(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 16741143 BRNCXVAKUDOUNM-QDASYUEBSA-N 366.508 2.561 30 40 FFEB Cc1cc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cc(C)n2)ccn1 204076578 PNIMSWKAXUKHIA-UHFFFAOYSA-N 353.231 2.645 30 40 FFEB C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1 8810622 PFOKBJJXBAQMBX-UHFFFAOYSA-N 352.362 2.681 30 40 FFEB N#Cc1cc(CN2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)ccc1F 108525723 WEJDTRZKAGIKBY-SFTDATJTSA-N 366.440 2.568 30 40 FFEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1C 101310630 QQJIOFACVSBDBZ-UICBKRPASA-N 366.508 2.705 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1cccc(O)c1 13208253 QBMVMBMXQDSLSQ-MRXNPFEDSA-N 357.362 2.518 30 40 FFEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)cc(C)c1 5488877 ZHRHMSXBYWSJRA-QDASYUEBSA-N 366.508 2.705 30 40 FFEB COc1ccc(NC(=O)/C(C#N)=N/Nc2cc(C(=O)O)ccc2C)cc1 6509693 OJMHQNRUUOGZLZ-CJLVFECKSA-N 352.350 2.632 30 40 FFEB N#Cc1ccccc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)o1 409052744 AENXPNBSIMGDJA-NDQXZWKXSA-N 357.369 2.959 30 40 FFEB CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(Cl)cc1 38915646 BDOACWCXQZMMID-INIZCTEOSA-N 359.813 2.911 30 40 FFEB CC(=O)Oc1ccc2occ(/C=N/c3cc(O)[nH]c(=S)n3)c(=O)c2c1 84459757 IOJSNKKZFKZGLV-UBKPWBPPSA-N 357.347 2.627 30 40 FFEB COC[C@]1(C#N)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccccc1 242548274 LHANWPREMRHUET-GUDVDZBRSA-N 357.431 2.791 30 40 FFEB CN1C(=O)/C(=C/c2ccc(OCC(N)=O)cc2)SC1=Nc1ccccc1 254715378 GGTKAVCWPMZXHT-SKCGTWTRSA-N 367.430 2.785 30 40 FFEB Cc1cnccc1CN1CCC[C@@H]1c1c[nH]c(=Nc2ccc(C#N)nc2)cn1 585294864 VPRYGOJZHAFMMW-HXUWFJFHSA-N 371.448 2.949 30 40 FFEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccc1 13570763 XGUOTXZSMMTLDT-INIZCTEOSA-N 356.447 2.888 30 40 FFEB CN(Cc1cccc(C#N)c1)C(=O)CN1C(=O)CSc2ccccc21 25102441 BHACYGSFMCVHGB-UHFFFAOYSA-N 351.431 2.656 30 40 FFEB CC(C)NC(=S)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 102977143 KUKHFLPGYHBVES-HEHNFIMWSA-N 352.463 2.810 30 40 FFEB COc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OC(C)=O 4525943 KYNBLFAQILKJPE-ONNFQVAWSA-N 354.156 2.699 30 40 FFEB C=C(C)Cn1c(=O)c2c(nc3oc(-c4ccc(Cl)cc4)cn32)n(C)c1=O 9789783 BGRMJUPXVYWSMW-UHFFFAOYSA-N 370.796 2.837 30 40 FFEB COc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)cc(Cl)c1O 409177230 FCCHRVSFRGNUGX-NIAHSISMSA-N 360.797 2.585 30 40 FFEB N#C[C@H]1CCC[C@@H]1Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 72312152 UDSGYNJITVWXFM-SCZZXKLOSA-N 363.317 2.992 30 40 FFEB CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccccc2)S1 2728708 QCLNNFCGEIIWDA-XOMICKMZSA-N 353.447 2.954 30 40 FFEB N#Cc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(F)cc1 3290126 RBEGYKTXRGWHAU-MRXNPFEDSA-N 352.350 2.679 30 40 FFEB CCCc1cc(/C(O)=N/S(=O)(=O)c2ccccc2Br)[nH]n1 48609845 YRWQRSYIYLWKTQ-UHFFFAOYSA-N 372.244 2.818 30 40 FFEB COc1cc(/C(O)=N/S(=O)(=O)c2cccc(C#N)c2)cc(OC)c1C 48600268 WUWJBZHMZXKAMA-UHFFFAOYSA-N 360.391 2.577 30 40 FFEB CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccco2)c1 13119692 XBHNUICOKRTLIU-KRWDZBQOSA-N 371.389 2.903 30 40 FFEB C#CCOc1cc(Br)c(CN[C@H](CC)CO)cc1OCC 4670866 YYKFSMGTYODDCK-CYBMUJFWSA-N 356.260 2.720 30 40 FFEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 8008120 OLMQWKFNRRIFCU-OAQYLSRUSA-N 365.433 2.935 30 40 FFEB C=CCN1C(=O)c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2C1=O 17295132 XUTUWFZHUINGJN-UHFFFAOYSA-N 373.412 2.922 30 40 FFEB COC(=O)c1ccccc1S(=O)(=O)/N=C(\O)C1=Cc2ccccc2OC1 83897485 LQQUUVBDZVPSFO-UHFFFAOYSA-N 373.386 2.594 30 40 FFEB Cc1nccn1-c1cccc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1 376528210 UOWXLHZEJCVCOT-UHFFFAOYSA-N 358.449 2.770 30 40 FFEB COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC#N)ccc1O 18189302 BLQBLKPMLJFAEY-QGZVFWFLSA-N 364.357 2.503 30 40 FFEB N#Cc1cccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1 33047815 ZOJYOQPNXYNGLX-KRWDZBQOSA-N 359.451 2.657 30 40 FFEB C=CCN1C(=O)CCC12CCC(NC(=O)Cc1noc3ccccc13)CC2 2055819450 YONDCGUNRCZLMN-UHFFFAOYSA-N 367.449 2.976 30 40 FFEB COC(=O)COc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 5178869 SIRLQAWYAPSIAA-PXNMLYILSA-N 355.302 2.763 30 40 FFEB Cc1cc(C)n2nc(C(=O)Nc3sc4c(c3C#N)CCCC4)nc2n1 3341845 LYEDGLIOSCAJMH-UHFFFAOYSA-N 352.423 2.805 30 40 FFEB C#CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OCC=C)cc1)CC(=O)N2 4944413 KPAFATLLTISDLW-CQSZACIVSA-N 367.430 2.534 30 40 FFEB COCc1cc(C)n(CC(=O)Nc2cccc(Cl)c2C)c(=O)c1C#N 810868 JIVXODDTOWZMLH-UHFFFAOYSA-N 359.813 2.775 30 40 FFEB CCOc1cc(C#N)ccc1OC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 42379641 JDMQBDIHUYNWIK-MRXNPFEDSA-N 371.437 2.790 30 40 FFEB C=CC[C@@]12C[C@H](OC1=O)[C@H]1[C@@H](CC=C3CC4(CC[C@@]31C)OCCO4)C2=O 104263393 HPJIPJBUJISTCO-VKSPVCMPSA-N 358.434 2.943 30 40 FFEB COc1cccc2cc(/C=C/C(=O)c3ccc(S(N)(=O)=O)cc3)oc12 12933237 QFSDNTCGMGPMGY-JXMROGBWSA-N 357.387 2.985 30 40 FFEB CC(=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 4803403 UJCIAYKVFFBSLE-FJCZRMHDSA-N 364.457 2.757 30 40 FFEB biogenic,in-vitro C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1 5408876 MQKFSVOZEQUNRN-MEDUHNTESA-N 372.808 2.694 30 40 FFEB Cc1ccc(S(=O)(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1 14074849 RSCLZCPTUPUKTA-LJQANCHMSA-N 373.453 2.705 30 40 FFEB CC1(C)CC(=O)C2=C(C1)Nc1c(C(N)=O)cnn1[C@@H]2c1ccc(F)cc1 40287180 AWTXUSOEPNOZJX-MRXNPFEDSA-N 354.385 2.779 30 40 FFEB Cc1ccc2oc(C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc(=O)c2c1 22068788 DRUMYEZMXLEEDD-ZUOKHONESA-N 370.405 2.701 30 40 FFEB O=[N+]([O-])c1cccc([C@@H](O)/C(=N\O)c2nc3ccc(Cl)cc3nc2O)c1 104293624 SVSIEPUBEGWJQC-CTFRJJSNSA-N 374.740 2.809 30 40 FFEB CN1CCN(Cc2c(O)ccc3c2O/C(=C/c2ccccc2)C3=O)CC1 36066033 QYXNSUPMGWMJJW-CPNJWEJPSA-N 350.418 2.756 30 40 FFEB biogenic C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1ccccc1C#N 12823542 SMVKGNHFOFCPSZ-OAHLLOKOSA-N 362.433 2.754 30 40 FFEB CCOc1ccc(CC(=O)Nc2ccc(C/C(N)=N/O)cc2)cc1OCC 4342497 VPSDBOHDJRFVPW-UHFFFAOYSA-N 371.437 2.954 30 40 FFEB CN1C(=O)/C(=C2\S/C(=N/c3cccc(O)c3)NC2=O)c2ccccc21 6639340 TYLDDCXJVFQLCC-PFONDFGASA-N 351.387 2.630 30 40 FFEB CC(=O)Nc1cccc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)c1 7706926 ITMFTFNCHDEFOJ-ZDUSSCGKSA-N 357.410 2.533 30 40 FFEB CC1(C)OB(C2CCN(C(=O)c3ccc(N4CCC4)nc3)CC2)OC1(C)C 1776000159 HDDFLUOZPZFNAD-UHFFFAOYSA-N 371.290 2.990 30 40 FFEB C/C=C/C(=O)CCN1CCN(CCC(=O)/C=C/c2ccc(OC)cc2)CC1 390823121 SWMQIRXYQSQZFP-SALQQRKASA-N 370.493 2.821 30 40 FFEB C#CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2cccc(OCC)c21 100910108 YNMPVWBHKULECN-ZCXUNETKSA-N 371.374 2.977 30 40 FFEB N#Cc1c(COC(=O)c2ccc(Cn3ccccc3=O)o2)cn2ccccc12 32899863 FWLDWDBTMQFKFJ-UHFFFAOYSA-N 373.368 2.971 30 40 FFEB CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 847050 LKPMFOLFVGUQPA-MRXNPFEDSA-N 354.318 2.789 30 40 FFEB C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(-n2ccnc2)cc1 12530457 PYXHMXWCZPYHQG-CQSZACIVSA-N 352.419 2.783 30 40 FFEB COC(=O)c1ccc(OC[C@H](O)Cn2cc(/C=N/O)c3ccccc32)cc1 101147620 BCGAKVDDUXCCGD-PPAWOMOGSA-N 368.389 2.676 30 40 FFEB CC(C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1 2340693 CCAYJYCNLMYTHL-SOUVJXGZSA-N 368.437 2.802 30 40 FFEB CS(=O)(=O)c1ccc(NC(=O)COc2ccc(C#N)cc2Cl)cc1 11157655 FUOOVSPJQIXKGW-UHFFFAOYSA-N 364.810 2.633 30 40 FFEB C=CCN1CC[C@@]2(CN(Cc3ccncc3)C[C@H]2c2nccs2)C1=O 306126421 DVBODPBPLSXPDW-LPHOPBHVSA-N 354.479 2.542 30 40 FFEB CN(C)C(=O)c1ccc(NC(=O)COc2ccc(C#N)cc2Cl)cc1 7857105 PKSKLKUOUFYGSD-UHFFFAOYSA-N 357.797 2.931 30 40 FFEB CCn1c(N)c2c(=O)n(CC)c(-c3ccc(Cl)cc3)cc2c(C#N)c1=O 68754866 DMRSSADQIORXMM-UHFFFAOYSA-N 368.824 2.977 30 40 FFEB Cc1cc(N/N=C/c2cccc([N+](=O)[O-])c2)nc(-n2nc(C)cc2C)n1 17179659 JVOODLCILUUHCL-VCHYOVAHSA-N 351.370 2.942 30 40 FFEB N#CCCN(CCCN1CCOCC1)C(=S)Nc1ccc(Cl)cc1 20230662 LNHXGRSZHJYCKB-UHFFFAOYSA-N 366.918 2.975 30 40 FFEB Cc1[nH]c(CN(C)C(=O)c2c[nH]c(C#N)c2)nc1-c1cccc([N+](=O)[O-])c1 97048247 HPFAWVOPBHXFON-UHFFFAOYSA-N 364.365 2.765 30 40 FFEB C=CCNS(=O)(=O)c1ccc(NCCc2ccccc2)c(C(=O)O)c1 217568930 VFYTULYMUYVYGP-UHFFFAOYSA-N 360.435 2.504 30 40 FFEB C=CCN1C[C@@H]2CN(C(=O)c3cnoc3C)CC[C@@]2(c2ccccc2)C1 96251771 LHFQJSWEJIARBD-NQIIRXRSSA-N 351.450 2.885 30 40 FFEB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C#N)c2)c1 3603827 PVHVTOFXADVKLQ-UHFFFAOYSA-N 357.435 2.841 30 40 FFEB C=CCOc1ccc(-c2nc3s/c(=C\c4cccs4)c(=O)n3n2)cc1 2703842 MWJQNRZJFDAULF-PTNGSMBKSA-N 367.455 2.992 30 40 FFEB CCn1cc([C@@H]2C(C(=O)C3CC3)=C(O)C(=O)N2Cc2ccccc2)cn1 22637675 ZHXURDIVEWBRDT-QGZVFWFLSA-N 351.406 2.778 30 40 FFEB C=CCN1C(SCc2c(F)cccc2Cl)=N[C@@H]2CS(=O)(=O)C[C@@H]21 9418981 RCXSRYNZPMEBDU-KGLIPLIRSA-N 374.890 2.736 30 40 FFEB COc1ccc(CCNC(=O)Nc2ccc(OCC#N)cc2)cc1OC 24689587 HDGQKEUADVVPLI-UHFFFAOYSA-N 355.394 2.970 30 40 FFEB Cc1cc(C(=O)Cn2c(N)nc(C#N)c2C#N)c(C)n1Cc1ccccc1 12734231 TXZUDUBUKJGPHM-UHFFFAOYSA-N 358.405 2.558 30 40 FFEB CC1(C)OC2=C(C(=O)c3ccccc3C2=O)[C@@H](NCc2ccccc2)[C@H]1O 29134844 WKHJQIQDQXGUOD-DYESRHJHSA-N 363.413 2.648 30 40 FFEB biogenic C[C@@H](OC(=O)c1cc(Cl)ccc1O)C(=O)NC1(C#N)CCCCC1 7506009 TYJBQAIMENGISX-LLVKDONJSA-N 350.802 2.934 30 40 FFEB C=CCN1C(SCc2c(F)cccc2Cl)=N[C@@H]2CS(=O)(=O)C[C@H]21 9418980 RCXSRYNZPMEBDU-ZIAGYGMSSA-N 374.890 2.736 30 40 FFEB C[C@H](OC(=O)c1ccc(Br)o1)C(=O)NC1(C#N)CCCCC1 6620055 IPBWAFZTCWKKSF-JTQLQIEISA-N 369.215 2.930 30 40 FFEB CSc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(C(N)=O)cnn32)cc1 40267255 ACPUBDSURVWZEO-MRXNPFEDSA-N 354.435 2.726 30 40 FFEB C=CCN1C(=O)S/C(=C\c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)C1=O 981278 PBJVLEXIMBLPKH-ADVUTCEVSA-N 363.391 2.769 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccccc2F)cc1OC 5408811 ZMIJEZALMFRQDV-INIZCTEOSA-N 357.337 2.709 30 40 FFEB Fc1ccc2[nH]c3c(c2c1)/C(=N/NC(=S)NC[C@H]1CCCO1)CCC3 102396570 WSOVTDOFZSPARY-PEUHRCAASA-N 360.458 2.991 30 40 FFEB Cc1c(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c2ccccc2n1C 100982598 JMKLJPSHWBKORH-ZQONIHPOSA-N 359.429 2.874 30 40 FFEB CN(C)c1ccc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1 3274968 ZLNWEKRUZIGGKW-UHFFFAOYSA-N 351.406 2.856 30 40 FFEB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)COc2ccc(C#N)cc2)cc1 3240482 DLMCYGFXZSHPQA-CQSZACIVSA-N 366.373 2.710 30 40 FFEB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1cccc(C#N)c1 26326251 XULMBDGAUHNZSO-HNNXBMFYSA-N 362.433 2.754 30 40 FFEB CCOC(=O)c1sc(NS(=O)(=O)c2ccccc2)c(C#N)c1C 59413143 JAHKMHOXRLADRJ-UHFFFAOYSA-N 350.421 2.906 30 40 FFEB N#CC1(NC(=O)COC(=O)c2ccc(Br)o2)CCCCC1 10803128 MTVJLOKWLTVTHK-UHFFFAOYSA-N 355.188 2.542 30 40 FFEB COc1c(C=Nn2c(O)nc3ccccc3c2=O)cc(Cl)cc1[N+](=O)[O-] 409341641 FEVOXSXEGWOAEY-UHFFFAOYSA-N 374.740 2.555 30 40 FFEB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N(C)CCC#N)n1 13683647 OFTOCBIIPOJQFF-UHFFFAOYSA-N 365.846 2.598 30 40 FFEB N#Cc1ccc(NC(=O)c2ccc(CN3CCCC[C@H]3CCO)cc2)cn1 65380652 XBOBAHYSOUABPL-FQEVSTJZSA-N 364.449 2.942 30 40 FFEB COc1cccc(N=C[C@@H]2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 408530351 FCXFSQCWPUKNCR-MRXNPFEDSA-N 351.362 2.605 30 40 FFEB N#CCC(=O)Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 9512461 GMRRIIUYTKMTAW-UHFFFAOYSA-N 364.405 2.628 30 40 FFEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCC(N)=O)cc3)S2)cc1 408760071 QXVNNVPFBIGDQR-YBEGLDIGSA-N 367.430 2.751 30 40 FFEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N\Nc1cccc([N+](=O)[O-])c1 13574741 COYIFMRLBNLJLS-SDXDJHTJSA-N 368.309 2.694 30 40 FFEB O=C1C(=O)N(CCO)[C@H](c2ccccc2F)/C1=C(O)/C=C/c1ccccc1 4312700 PJBUIUZIGLCXQX-QJKXBQGNSA-N 367.376 2.796 30 40 FFEB N#CCSc1ccccc1NC(=O)Cn1ncc(Cl)c(Cl)c1=O 5937285 HDZRFAWHZZPUJV-UHFFFAOYSA-N 369.233 2.804 30 40 FFEB COC(=O)c1ccc(O[C@@H](C)C(=O)N(C)C2(C#N)CCCCC2)c(OC)c1 7623039 YPKWWJOWNRSKNH-AWEZNQCLSA-N 374.437 2.934 30 40 FFEB CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(Cl)c1O 409401134 AHIGSRCWLSHVGT-LWWSYDQCSA-N 360.797 2.585 30 40 FFEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1C=Nc1cccc(Cl)c1 408537319 VGFKQLUSEFYGII-LWWSYDQCSA-N 359.813 2.926 30 40 FFEB COc1ccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c(C)c1 332364895 KLHFLMJWYKRANM-UHFFFAOYSA-N 353.397 2.977 30 40 FFEB COc1ccc([C@H]2Nc3nonc3NC3=C2C(=O)CCC3)c(OC)c1OC 12390783 FBKCXOWJFDVFPC-CQSZACIVSA-N 372.381 2.681 30 40 FFEB COc1ccc(OC)c([C@H]2O[C@]3(C)OC(=N)[C@](C#N)([C@@H]3C)C2(C#N)C#N)c1 100147030 GFHRKJBJWRYYFO-ZQCXSYNGSA-N 366.377 2.678 30 40 FFEB COCc1cc(C)nc(SCC(=O)NCCc2ccccc2)c1C#N 1428512 GWABJPGDGPLJRE-UHFFFAOYSA-N 355.463 2.859 30 40 FFEB Cc1cc(NS(=O)(=O)c2ccccc2C#N)ccc1N1CCCC1=O 12652483 RCTISKYVQZSCGR-UHFFFAOYSA-N 355.419 2.794 30 40 FFEB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C#N)cc1O 9497508 AGZUXNRVQDTXBH-NSHDSACASA-N 369.333 2.665 30 40 FFEB CC(=O)N1CCN(c2nc(CC(C)C)c3c(c2C#N)CC(C)(C)OC3)CC1 13510628 YCNOKFZZYCTKJU-UHFFFAOYSA-N 370.497 2.672 30 40 FFEB N#C[C@]1(CO)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242614921 PMDUAGOOQXJPRP-BBWFWOEESA-N 365.813 2.921 30 40 FFEB O=C(c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1)N1CCC[C@@H](O)C1 12224574 YJCYTNWQAJYHTN-OAQYLSRUSA-N 371.440 2.869 30 40 FFEB Cc1cc(N2CCC[C@@H](Nc3cc(C#N)c4ccccc4n3)C2=O)n(C)n1 78675309 QLBPIOSHSKVAPY-QGZVFWFLSA-N 360.421 2.756 30 40 FFEB Cc1nccn1CCCN1C(=O)/C(=C/c2ccc(C#N)cc2)N=C1S 988124 LBBDQBVYJZTWML-WJDWOHSUSA-N 351.435 2.622 30 40 FFEB CCOC(=O)c1cc(C#N)c(SCC(=O)N2CCCC[C@@H]2C)nc1C 7149527 DSZSJMQYAIJPQT-LBPRGKRZSA-N 361.467 2.932 30 40 FFEB COC1(c2nc(C3CC3)no2)CCN(C(=O)c2sccc2C#N)CC1 585709894 UGPSMAZHUJLTHO-UHFFFAOYSA-N 358.423 2.658 30 40 FFEB CC[C@]12OC(=N)[C@](C#N)([C@H]1C)C(C#N)(C#N)[C@H](c1ccc([N+](=O)[O-])cc1)O2 5068196 OIUQJVXWKRBEHP-ASZQFPGMSA-N 365.349 2.960 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(F)cc2)cc1OC 5408815 YIMNTXXYUHWJOM-MRXNPFEDSA-N 357.337 2.709 30 40 FFEB CC1(C)Cc2cccc(OCCNS(=O)(=O)c3cccc(C#N)c3)c2O1 26882279 LRAYVUGPGFGVRZ-UHFFFAOYSA-N 372.446 2.629 30 40 FFEB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C#N)N2C=Cc4ccccc4[C@@H]32)cc1 20443470 RKIJASNCZKCRBN-FYQPLNBISA-N 371.396 2.734 30 40 FFEB C=CCn1c(SCC(=O)N[C@@H](C)c2ccco2)nc2ncccc2c1=O 32885506 UAPJQMQLGWXOOH-LBPRGKRZSA-N 370.434 2.540 30 40 FFEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1COc2ccccc2O1 2631728 NIHIZRMQCMCPBH-INIZCTEOSA-N 372.764 2.533 30 40 FFEB C=CCOc1ccc(-c2nc3s/c(=C\c4ccccc4)c(=O)n3n2)cc1 2703777 KRDMZAOKJCUEBI-LGMDPLHJSA-N 361.426 2.931 30 40 FFEB N#Cc1ccc(/C=N/NS(=O)(=O)c2ccc(Br)cc2)cc1 3319930 LEXIZUFALMLDCN-LICLKQGHSA-N 364.224 2.633 30 40 FFEB N#Cc1cccnc1N1CCN(C(=O)c2cc3c(cc2O)CCCC3)CC1 65617282 PCHGMLFZYWSCPT-UHFFFAOYSA-N 362.433 2.500 30 40 FFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(F)cc1F 8981982 HWFWGCDLXHLVLQ-LBPRGKRZSA-N 359.376 2.952 30 40 FFEB COC(=O)Cn1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c2ccccc21 409099207 SLCXPHKFRCPLST-DJKKODMXSA-N 353.338 2.564 30 40 FFEB C#CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1 408941383 WKXPRLHRHKDQBH-AQTBWJFISA-N 374.396 2.982 30 40 FFEB Cc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)c1 70462102 NLUOBTLBZGWBNZ-UHFFFAOYSA-N 350.378 2.737 30 40 FFEB Cc1ccc2c(c1)[C@H](N/C(O)=N/C[C@@H]1CCCCS1(=O)=O)CCC2 330228781 VONQPBXKXMWEJC-DOTOQJQBSA-N 350.484 2.843 30 40 FFEB COC(=O)[C@]1(C)CCC[C@@]2(C)C3=C[C@H](O)[C@@]4(C(C)C)O[C@H]4[C@@]3(O)CC[C@@H]12 5707098 PLTJWYBYCUOFOL-LZUYNNJNSA-N 364.482 2.592 30 40 FFEB C[C@@H]1CN(/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)C[C@@H](C)O1 13139040 NJQJCCXGUQYFNO-KZLHXAFESA-N 358.463 2.931 30 40 FFEB CSc1ccccc1C(=O)N1C[C@H]2CN(c3ccc(C#N)cn3)C[C@@H]2C1 2298212796 NVEFVYGQNYDXLR-HZPDHXFCSA-N 364.474 2.884 30 40 FFEB CCS(=O)(=O)c1ccc2c(c1)N/C(=C\C(=O)c1cccs1)C(=O)O2 103046236 MQONYJDSUQOHNU-XFXZXTDPSA-N 363.416 2.639 30 40 FFEB CN(CC(=O)N(CCC#N)CCC#N)Cc1ccc(C(F)(F)F)cc1 52920002 ZQEHRBDUJOWGOS-UHFFFAOYSA-N 352.360 2.793 30 40 FFEB C=C(C)CNC(=S)Nc1nc2c(cc1C(=O)OCC)COC(C)(C)C2 2267021 BDKOUAUYWXEVGF-UHFFFAOYSA-N 363.483 2.972 30 40 FFEB C[C@@H](OC(=O)c1cccc(C[S@@](C)=O)c1)C(=O)Nc1cccc(C#N)c1 10778504 SCZZGOHEYVDYFP-SRGMZFCMSA-N 370.430 2.621 30 40 FFEB C/C(=N\Nc1nc(N2CCCC2)nc(N2CCCC2)n1)c1ccccc1O 5725410 BIRBDGAUQGZVDJ-OEAKJJBVSA-N 367.457 2.614 30 40 FFEB CC(C)n1nnnc1S[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 16453740 KONNONMYDXICST-VIFPVBQESA-N 350.835 2.898 30 40 FFEB C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1 17156733 CRITYFLGGKDYGO-INIZCTEOSA-N 372.490 2.902 30 40 FFEB CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)ccc1OC 408729256 YTCMWXUODFBCAD-FPHLNOBYSA-N 354.406 2.625 30 40 FFEB O/C(=N/C[C@@H]1CCCn2ccnc21)N1CCCN2c3ccccc3C[C@H]2C1 329634934 XKWFRDMDQDUIGP-ROUUACIJSA-N 365.481 2.812 30 40 FFEB CN1CCC(c2ncc(C(=O)N[C@H](C#N)c3ccccc3Cl)[nH]2)CC1 685941734 HMQSFMBAWDPENM-OAHLLOKOSA-N 357.845 2.867 30 40 FFEB CC(=O)NC1(c2ccccc2)CCN(C/C(O)=N/c2nnc(C)s2)CC1 19288330 JBZQTJCRNWOOAV-UHFFFAOYSA-N 373.482 2.562 30 40 FFEB O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCC#Cc1ccccc1 32891676 QXEXLXYTSJCZDF-UHFFFAOYSA-N 354.793 2.806 30 40 FFEB N#Cc1ccc(CN2CCN(CC(=O)NCCC3=CCCCC3)CC2)cc1 22787261 CYELGIPOWSQPHI-UHFFFAOYSA-N 366.509 2.683 30 40 FFEB N#Cc1ccc(CN2CCN(CC(=O)Nc3cccc(Cl)c3)CC2)cc1 22917607 LQGDGPVEEODESR-UHFFFAOYSA-N 368.868 2.968 30 40 FFEB C=CCn1c(S[C@H](C)C(=O)OC)nnc1[C@@H]1COc2ccccc2O1 11428506 UOEIHPZSKGIHTI-RISCZKNCSA-N 361.423 2.630 30 40 FFEB NC1=C(c2nc3ccccc3s2)C(=O)CN1/N=C/c1cccc(O)c1 13693300 GFIROIYFKOKZGI-AWQFTUOYSA-N 350.403 2.548 30 40 FFEB N#Cc1ccc(NC(=O)COCC(=O)NCCc2ccc(Cl)cc2)cc1 13942142 CYRTZGGXNGSIMV-UHFFFAOYSA-N 371.824 2.526 30 40 FFEB CNC(=O)N(O)[C@H]1N(/N=C/c2ccc(C)cc2)C(=S)SC1(C)C 4794975 NZDHVUOGMNUXDO-UDPFGDFPSA-N 352.485 2.798 30 40 FFEB COc1ccc(N2CCO[C@H]2c2cn(Cc3ccc(C#N)cc3)nn2)cc1 216767305 ZCODHCUDXODSIN-FQEVSTJZSA-N 361.405 2.742 30 40 FFEB CN(C)c1ccc(/C=c2/sc(=C(C#N)C#N)nc2-c2ccccc2)cc1 35196379 YFPJUGAGZFWRSL-XDHOZWIPSA-N 356.454 2.903 30 40 FFEB Cc1nc([C@@H]2CCCN2/C(O)=N/CCc2nn(C)c3ccccc23)no1 330103255 GTJUEZJIKKNFBE-INIZCTEOSA-N 354.414 2.558 30 40 FFEB N#Cc1c(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)n[nH]c1C1CC1 582566805 OUDNWNLZYUKKHY-UHFFFAOYSA-N 350.357 2.665 30 40 FFEB C[C@H]1CCn2ncc(C(=O)N3CC=C(B4OC(C)(C)C(C)(C)O4)CC3)c2C1 1776000196 MDELHHNEVVSUGJ-AWEZNQCLSA-N 371.290 2.869 30 40 FFEB N/C(=N\O)c1ccc(OCCCCCOc2ccc(/C(N)=N/O)cc2)cc1 6092591 UVADNHMLTJNGDH-UHFFFAOYSA-N 372.425 2.504 30 40 FFEB in-vitro COC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C(=O)OC)cc1)C2=O 5956754 PCPMXACVHAWTFT-MFOYZWKCSA-N 368.341 2.641 30 40 FFEB biogenic CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl 101299060 UACXWRDSGNZMLX-LTUGMUNRSA-N 372.899 2.742 30 40 FFEB C[C@H]1CCC[C@@H]1NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 104813034 QVCWJNCHLIPKAB-KBPBESRZSA-N 369.425 2.826 30 40 FFEB C=CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Cl)c(O)c(OC)c1 3100921 XWLHVWXIULQUQO-AWEZNQCLSA-N 366.801 2.754 30 40 FFEB N#CC1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 58156270 NNPWLFKRTLODKT-INIZCTEOSA-N 359.857 2.954 30 40 FFEB C=CCNC(=O)[C@H](C)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 58264261 CZBXZYOPAOZTNI-INIZCTEOSA-N 363.461 2.921 30 40 FFEB C=CCOC(=O)COc1ccc2c(C)c(CCC(=O)OCC)c(=O)oc2c1 2148694 RWMDEHFSNRUAHM-UHFFFAOYSA-N 374.389 2.705 30 40 FFEB biogenic O=[N+]([O-])c1ccc(N/N=C/c2cc3c(cc2O)CCCO3)c([N+](=O)[O-])c1 4160043 WNSVOKBIWXUTIW-RQZCQDPDSA-N 358.310 2.980 30 40 FFEB Cn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1cccnc1 6581874 GCBAQWUJILJNGO-UHFFFAOYSA-N 356.436 2.541 30 40 FFEB Cc1csc([C@@H](C#N)C(=O)CSc2nnnn2-c2cccc(F)c2)n1 7760979 ZXQVGYQMXHJTBV-LBPRGKRZSA-N 374.426 2.535 30 40 FFEB C=CCSc1nnc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 225864814 CCHUJYQTDFMFLE-UHFFFAOYSA-N 358.426 2.525 30 40 FFEB N#Cc1ccc(OCCNC(=O)N2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 595526120 JULFNHSAAWKFJN-IEBWSBKVSA-N 357.454 2.928 30 40 FFEB COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC#N)cc(OC)c1OC 55243772 DTQHIYZOPBPETJ-ZTNFWEORSA-N 360.454 2.904 30 40 FFEB biogenic CC1=C(C)/C(=N\OS(=O)(=O)c2ccc(Br)cc2)C=CC1=O 3074630 TWXUVZBDYZMFHO-SSZFMOIBSA-N 370.224 2.986 30 40 FFEB CC1=C/C(=N\OS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(C(C)C)=CC1=O 5950344 LCMBCILHJGTJFZ-BMRADRMJSA-N 364.379 2.768 30 40 FFEB Cc1cc(OC[C@H]2CCCN(S(=O)(=O)c3ccc(C#N)cc3)C2)ccn1 1775971048 VFRNIHAHKJBQBH-KRWDZBQOSA-N 371.462 2.741 30 40 FFEB Cc1c(Br)cc(/C=N/NC(N)=S)cc1Br 6469991 LVNBCDXASYFBEV-YIXHJXPBSA-N 351.067 2.687 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C/c1c(O)ccc2ccccc12 100199518 QQRCACCILUTOLS-NDEZNTRXSA-N 358.397 2.932 30 40 FFEB COc1cc2c(cc1OC)[C@@H]1CC(=O)NC3=C(CC(C)(C)CC3=O)N1CC2 2090872 CKJRSOQGKBOTFP-AWEZNQCLSA-N 370.449 2.724 30 40 FFEB biogenic N#CC1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 58156271 NNPWLFKRTLODKT-MRXNPFEDSA-N 359.857 2.954 30 40 FFEB Cc1ccc2cc(Cn3c(=O)c(C#N)cn(C4CC4)c3=O)c(Cl)nc2c1 48271978 LTVWRMLRVJFRJW-UHFFFAOYSA-N 366.808 2.775 30 40 FFEB Cc1cc(C)cc(N(CCC#N)C(=O)Cn2c(=O)cnc3ccccc32)c1 3373688 VADKCTXARZYMJR-UHFFFAOYSA-N 360.417 2.960 30 40 FFEB Cc1ccc(NC(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)cc1C 5813245 RRSYGPWDZKWNJR-UHFFFAOYSA-N 365.389 2.951 30 40 FFEB COCc1cc(C)nc(N2CCN(c3ccccc3OC)CC2)c1C#N 25766614 IFPSGFBRJBBMPI-UHFFFAOYSA-N 352.438 2.743 30 40 FFEB O=C(O)c1ccc(-c2ccc(/C=N/NS(=O)(=O)c3ccccc3)o2)cc1 408890272 QPHRDHUJYRVZGC-XDHOZWIPSA-N 370.386 2.957 30 40 FFEB COc1ccc(C#N)cc1CN1CCO[C@H](C)[C@H]1c1nc(C2CC2)no1 585802338 SWVXGNANDYMPDP-PXAZEXFGSA-N 354.410 2.789 30 40 FFEB COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C[C@@H](C)O)cc1 5800279 HTPPNAZXDXYEOT-ACJLOTCBSA-N 367.401 2.654 30 40 FFEB O=[N+]([O-])c1ccc(N/N=C/Cc2nnnn2-c2ccc(Cl)cc2)cc1 4369053 GNZQWFAQQHTSAN-LICLKQGHSA-N 357.761 2.864 30 40 FFEB N#Cc1cccc(C(=O)NC[C@](O)(c2ccccc2)C2CCOCC2)c1 575612336 LQGJGNJMQJXRGT-NRFANRHFSA-N 350.418 2.602 30 40 FFEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccccc1OCC 4944630 QRSWHTSBBLWLEI-ZDUSSCGKSA-N 371.462 2.931 30 40 FFEB COc1cc(C)ccc1OCC(=O)O[C@H](C)C(=O)Nc1sccc1C#N 24068666 NVSHATFBVIJYNB-GFCCVEGCSA-N 374.418 2.886 30 40 FFEB COc1ccc(Br)cc1NCC(=O)N[C@](C)(C#N)C1CC1 55896966 GIKLUXJFFKGSFT-OAHLLOKOSA-N 352.232 2.678 30 40 FFEB CN(C)C(=O)CCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 56664991 OGZUGVDJLKWJAA-UHFFFAOYSA-N 352.394 2.950 30 40 FFEB COc1ccc(CC2CCN(CC(=O)N(CCC#N)CCC#N)CC2)cc1 58179893 PYNNXPAUTUBOSU-UHFFFAOYSA-N 368.481 2.606 30 40 FFEB C=CCOc1c(Br)cc(/C=N/NC(=S)NCC)cc1OC 108044107 CGJJXBMMESMKBN-RQZCQDPDSA-N 372.288 2.840 30 40 FFEB O=c1cnc2ccccc2n1C/C(O)=N/c1nc(-c2cccs2)n[nH]1 48310142 FCWSZZMXSVAFBN-UHFFFAOYSA-N 352.379 2.531 30 40 FFEB COc1cc(C#N)ccc1OCC(=O)c1ccc(CCNC(C)=O)s1 12900178 NDLIGSLRXVOYAA-UHFFFAOYSA-N 358.419 2.569 30 40 FFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 92573016 OLCXDUKDSMZQHV-WMLDXEAASA-N 363.417 2.527 30 40 FFEB C=CCc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(OC)c1OC 409357879 RXKVFFVBNWUAAC-UHFFFAOYSA-N 365.389 2.730 30 40 FFEB C[C@@H](Nc1ccc(N2CCOCC2)cc1)C(=O)NC1(C#N)CCCCC1 7738622 MJHQDHMMCGFCJA-MRXNPFEDSA-N 356.470 2.666 30 40 FFEB CCOC(=O)COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1OC 409216713 KMKLQMMYFHCMRJ-ODLFYWEKSA-N 373.365 2.991 30 40 FFEB N#Cc1cccc(C(=O)N2CC3(CC[C@@H](CN4CCCCC4)CO3)C2)c1 575404658 PAXIEJDDDPRIMD-SFHVURJKSA-N 353.466 2.665 30 40 FFEB COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]1CC[C@]1(O)[C@H](O)[C@@]3(C(C)C)O[C@H]3C[C@@H]12 5103194 IQTQXFZDFSEPKD-PJVNQZCDSA-N 366.498 2.671 30 40 FFEB CC(C)C(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 5266060 ZYKOEFYZHAJQSR-OVJMFRMASA-N 372.899 2.597 30 40 FFEB C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC)c2ccc(C)cc2)cc1 12811119 AJMFHWWEYIRGDE-LJQANCHMSA-N 370.474 2.788 30 40 FFEB O=C1C[C@@H](C(=O)Nc2ccccc2)S/C(=N\N=C\c2ccccc2)N1 9012874 UQRRATIWXFGXRQ-UZUMKDMXSA-N 352.419 2.637 30 40 FFEB COc1ccccc1NC(=O)Cc1noc(COc2ccc(C#N)cc2)n1 6566262 KZGOISKCHFYHLL-UHFFFAOYSA-N 364.361 2.710 30 40 FFEB C=CCOc1cc(C(=O)N2CCN(C(=O)OCC)CC2)cc2occc12 72240262 NYNJBPOIRWDUFA-UHFFFAOYSA-N 358.394 2.912 30 40 FFEB C=CCCO[C@H](C)C(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 95450512 UJWGDMYVQDWCFT-SNVBAGLBSA-N 351.346 2.900 30 40 FFEB CC(C)NC(=O)N1CCC[C@@]2(COCCN(c3cccc(C#N)c3)C2)C1 96229010 VWKFNVMBATUAIP-FQEVSTJZSA-N 356.470 2.595 30 40 FFEB N#Cc1cc2c(nc1N1CCN(C(=O)c3cc4ccccc4[nH]3)CC1)CCC2 263781020 YQBCZMAZFDNEJH-UHFFFAOYSA-N 371.444 2.886 30 40 FFEB CC1(C)OB([C@@H]2CCN(C(=O)N3CCCO[C@@H]4CCC[C@H]43)C2)OC1(C)C 1776007778 WZIUECXRUNCSDW-BZUAXINKSA-N 364.295 2.918 30 40 FFEB CCOC(=O)/C(=C/Nc1sccc1C(=O)OC)C(=O)C(F)(F)F 100205863 WZTKARQTQUWAIC-SOFGYWHQSA-N 351.302 2.525 30 40 FFEB C=CCNS(=O)(=O)c1cc(C(=O)Nc2ncccc2C)ccc1Cl 24924873 SQRVBWKWRMSILL-UHFFFAOYSA-N 365.842 2.760 30 40 FFEB COc1ccc(/C=N/N=C2/CC(C)(C)Cc3n[nH]c(=O)cc32)cc1OC 13777692 YUBUQHYPNILJLC-HMWFCLBGSA-N 354.410 2.583 30 40 FFEB Cc1[nH]c(=O)nc(SCC(=O)N[C@H](c2ccc(F)cc2)C(C)C)c1C#N 32858421 NVGUUXJWEWBKDU-INIZCTEOSA-N 374.441 2.695 30 40 FFEB C=CCn1c(SCC(=O)N[C@@](C)(C#N)C(C)C)nc2ccccc2c1=O 2639194 RBOYFPNHENJFLB-IBGZPJMESA-N 370.478 2.729 30 40 FFEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(O)cc1)c1ccco1 795021 ZADQUMWBSYNJNV-RHSMWYFYSA-N 369.373 2.743 30 40 FFEB Cc1sc(NC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)c(C#N)c1C 48261825 NQKSDFLBOGPRJW-NSHDSACASA-N 355.419 2.989 30 40 FFEB CCCCNC(=S)N(C)/N=C/c1cc(OC)c(OC(C)=O)c(OC)c1 3329350 NRNSAKCTKQNNFX-YBFXNURJSA-N 367.471 2.569 30 40 FFEB CSc1c(C#N)c(=N)n2nc(NC(=O)c3ccccc3)sc2c1C#N 36649116 ASNXJLHZEFILCM-UHFFFAOYSA-N 366.431 2.593 30 40 FFEB C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1ccccc1 12997117 BJZCXIOWYJGZDA-NRFANRHFSA-N 361.401 2.790 30 40 FFEB C=CCOc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 218332036 KVLYCDNUXUZMBC-UHFFFAOYSA-N 360.435 2.900 30 40 FFEB C=CCSc1nnc(NS(=O)(=O)c2ccc(OC)c(F)c2)s1 38602797 OZVSTESJPYXOHZ-UHFFFAOYSA-N 361.445 2.765 30 40 FFEB C=CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1 222772241 CRRWTBHBHPQASZ-QGZVFWFLSA-N 352.434 2.785 30 40 FFEB CCS(=O)(=O)c1ccc2c(c1)N/C(=C\C(=O)c1ccc(C)cc1)C(=O)O2 100112336 OLGWUQVVEHVYAE-WJDWOHSUSA-N 371.414 2.886 30 40 FFEB N#Cc1cn(CC(=O)NC2(C#N)CCCCC2)c2ccc(Cl)cc2c1=O 103262172 LIUFHLLEXMNIDU-UHFFFAOYSA-N 368.824 2.869 30 40 FFEB CC[C@@]12OC(=N)[C@](C#N)([C@H]1C)C(C#N)(C#N)[C@H](c1cccc([N+](=O)[O-])c1)O2 101021590 IAGWJPOMLYEFDO-TWLYDYHNSA-N 365.349 2.960 30 40 FFEB Cc1cccc(C)c1N(CC(=O)Nc1ccc(CC#N)cc1)S(C)(=O)=O 20237605 ACJISVCAPQVMAR-UHFFFAOYSA-N 371.462 2.774 30 40 FFEB COc1cc([C@@H]2C3=C(CCCC3=O)Nc3nc(SC)nn32)ccc1O 4436120 HTYBGDKXHQTSMA-OAHLLOKOSA-N 358.423 2.736 30 40 FFEB Cc1cc(C)c(C#N)c(SCc2nc(N(C)C)nc(-n3cccc3)n2)n1 96336498 ZADFBUWBMMABBS-UHFFFAOYSA-N 365.466 2.904 30 40 FFEB COc1cccc(N2CCO[C@H]2c2cn(Cc3ccccc3C#N)nn2)c1 216765223 FILGAASXYYEQGW-FQEVSTJZSA-N 361.405 2.742 30 40 FFEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(CC)c1 223682608 DRVMIQQRJQIRCY-UHFFFAOYSA-N 374.462 2.974 30 40 FFEB COc1ccccc1N/N=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C 96610938 PBOICVFIAROBDS-MNDPQUGUSA-N 353.338 2.794 30 40 FFEB N#Cc1cccc(C(=O)N2CC3(C[C@@H](OCc4ccncc4)CCO3)C2)c1 575402494 BLHCBMNVCMJAIH-IBGZPJMESA-N 363.417 2.544 30 40 FFEB CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C[C@]12O[C@@H]1[C@@H](O)C(CO)=C[C@H]2O 253388188 VBZYLQJSPMDPOO-NMNSOMAVSA-N 362.510 2.967 30 40 FFEB biogenic,in-vitro N#Cc1cnn(C(=O)COc2ccc(C3SCCCS3)cc2)c1N 60470749 LSAKUCZJJTVTDN-UHFFFAOYSA-N 360.464 2.925 30 40 FFEB Cc1cc(=O)oc2cc(OCC(=O)OC/C(=N/O)c3ccccc3)ccc12 4917878 LNEMUAXJTRKCGO-FXBPSFAMSA-N 367.357 2.902 30 40 FFEB CCN1C(=O)/C(=N\NC(=S)Nc2ccccc2OC)c2ccccc21 103461884 VDASNXCUUOPGSA-SILNSSARSA-N 354.435 2.752 30 40 FFEB COc1ccc(OC)c([C@H]2O[C@]3(C)OC(=N)[C@]2(C#N)C(C#N)(C#N)[C@@H]3C)c1 100773999 AWPUFUSRPAOQJY-RQPMFHSKSA-N 366.377 2.678 30 40 FFEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)ccc1C 101312873 NKQUDKCPKGZFEQ-YTRIFDNDSA-N 366.508 2.705 30 40 FFEB CCOC(=O)[C@H](CNC(=O)CNc1ccc(C#N)cc1)Cc1ccccc1 58014592 RUFHINAGMIUCMM-SFHVURJKSA-N 365.433 2.508 30 40 FFEB COc1cccc(-n2c(=O)c3ccccc3n3c(SCC#N)nnc23)c1 4269261 XASSBIWRMMSDHL-UHFFFAOYSA-N 363.402 2.658 30 40 FFEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1CC 5516488 SXSZGCRYOKYGDB-WTIYMYMHSA-N 366.508 2.651 30 40 FFEB Cc1ccc(C)c(-n2c(=O)c(C#N)cc3c(=O)n4cc(C)ccc4nc32)c1 6809458 WRFKSFKYCCRRLV-UHFFFAOYSA-N 356.385 2.796 30 40 FFEB C=CCN1C(=O)N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C(=O)OC)=C1C 7550933 GREMHYSRPYHIQF-CQSZACIVSA-N 365.773 2.948 30 40 FFEB C[C@H](Oc1ccccc1)C(=O)NCC1CCN(c2ncccc2C#N)CC1 70929145 CJAYYODDWAPAON-INIZCTEOSA-N 364.449 2.753 30 40 FFEB N#Cc1ccc(N2C[C@@H]3CCN(C(=O)Cc4ccc(F)cc4F)[C@@H]3C2)nc1 1040862582 CCQGVNAXVGRKIK-MAUKXSAKSA-N 368.387 2.511 30 40 FFEB CCN1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccco2)C3=O)CC1 20503719 JWYDIWHPMPBLOA-PDGQHHTCSA-N 354.406 2.739 30 40 FFEB CCOC(=O)N[C@H](C(=O)Nc1nc(C)c(SCC#N)s1)C(C)C 53650697 OTHFHIMVKIRZRH-JTQLQIEISA-N 356.473 2.776 30 40 FFEB N#Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 25212554 RUOKFPYGOTUOHD-UHFFFAOYSA-N 351.381 2.732 30 40 FFEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccccc2Cl)C1=O 10024484 VQRGWXXBBHWLQM-IBGZPJMESA-N 367.792 2.862 30 40 FFEB CC(=O)Nc1ccc(NC(=O)[C@@H](C)O/N=C/c2cccc([N+](=O)[O-])c2)cc1 3255575 MEGJRJNQSLOVCB-ZGXHQARYSA-N 370.365 2.931 30 40 FFEB N#CC1(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CCCC1 58224434 ZBUUXSAHRNLUGR-UHFFFAOYSA-N 364.243 2.978 30 40 FFEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)cc1C 5370111 JZQKUAAJOICTFM-QDASYUEBSA-N 366.508 2.705 30 40 FFEB N#Cc1ccc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)c(Cl)c1 567834136 LUTFTDABMJEKKJ-UHFFFAOYSA-N 368.872 2.928 30 40 FFEB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1c1ccnc(C#N)n1 570528925 FKQHYWIPDSOCGF-SFHVURJKSA-N 374.448 2.788 30 40 FFEB C=CCn1c(N2CCC(C(=O)NCCCOC)CC2)nc2ccccc21 12116475 QAFSFHZNQSNCFK-UHFFFAOYSA-N 356.470 2.591 30 40 FFEB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1 3671965 PBZGMFGPYPOYBY-UHFFFAOYSA-N 357.435 2.841 30 40 FFEB C#CCn1/c(=N\C(=O)c2cc(C)no2)sc2cc(C(=O)OCC)ccc21 101315316 XEJMCXOGLKBLOU-VHEBQXMUSA-N 369.402 2.550 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C\c1c(O)ccc2ccccc12 100199515 QQRCACCILUTOLS-PZRFQRCRSA-N 358.397 2.932 30 40 FFEB Cc1c(C(=O)/C=C/c2cnc(N3CCCC3)nc2)nnn1-c1ccccc1 58180337 IAAGESLCQVZAMF-MDZDMXLPSA-N 360.421 2.862 30 40 FFEB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1ccc(C#N)cc1 13098047 DPJVSSOIHKNUCO-AZUAARDMSA-N 367.474 2.863 30 40 FFEB C=CCNc1nnc(SCC(=O)NCCOc2cccc(C)c2)s1 8366004 OTPQBKJPTAWBLS-UHFFFAOYSA-N 364.496 2.732 30 40 FFEB C#CCOc1ccc(Cl)cc1C=Nn1c(O)nc2ccccc2c1=O 409352295 VDEZQAPWCHDSBR-UHFFFAOYSA-N 353.765 2.650 30 40 FFEB CC(C)Oc1c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cccc1[N+](=O)[O-] 409410153 ZNURQGAXKXYTNT-GVAFMPQTSA-N 369.377 2.523 30 40 FFEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)c(F)c1 32635403 JUXDGROOCZMEKO-HJUNTIBCSA-N 370.471 2.536 30 40 FFEB C=CCOc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 13688664 NWCHGVMNVYQSAU-UHFFFAOYSA-N 374.462 2.819 30 40 FFEB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCNc1ncccc1C#N 47252411 SFRPLVRDMUGBKF-UHFFFAOYSA-N 358.829 2.992 30 40 FFEB C=CCNC(=O)CSc1ncc(-c2ccc3c(c2)OCCO3)n1CC 8719828 IUASAXJRDIXLTI-UHFFFAOYSA-N 359.451 2.736 30 40 FFEB C[C@@H]1CN(Cc2csc(NC(=O)c3ccc(C#N)cc3)n2)C[C@@H](C)O1 12935483 KSGZFBQBFQSINM-CHWSQXEVSA-N 356.451 2.876 30 40 FFEB C/C(=N/NS(=O)(=O)c1ccc2ccccc2c1)c1cc(O)ccc1O 17073583 ZMBCRDIFSBKGKR-UNOMPAQXSA-N 356.403 2.954 30 40 FFEB Cc1ccc(S(=O)(=O)C2(C(=O)/N=C3/NCCS3)CCCC2)cc1C 73141652 NHRRQLJHPKEPNO-UHFFFAOYSA-N 366.508 2.609 30 40 FFEB CCOc1ccc(N=C[C@@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408528049 AQCAAOXVZTZHEH-WRFANHODSA-N 369.421 2.671 30 40 FFEB C[C@H](NC(=O)c1ccc(C#N)cn1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 95952917 DZXHTGLQEUMEKL-ZFWWWQNUSA-N 358.442 2.719 30 40 FFEB N#CC1(C(=O)N2CCC[C@@]3(COCCN(c4nccs4)C3)C2)CCCC1 1614934957 XPJPITKOKGYBAA-GOSISDBHSA-N 374.510 2.672 30 40 FFEB C#CCSc1ncc(C(=O)OC)c(=O)n1-c1ccc(C(F)(F)F)cc1 2087066570 PMEJVUSSRSRSCT-UHFFFAOYSA-N 368.336 2.763 30 40 FFEB CCN(Cc1ccc(C#N)cc1F)CN1C(=O)NC2(CCC(C)CC2)C1=O 32935413 GWFFAJADSXDXHJ-UHFFFAOYSA-N 372.444 2.977 30 40 FFEB COc1cc(/C=N/O[C@H](C)C(=O)Nc2cc(C)on2)ccc1OC(F)F 23198300 CWUXCGOZRPTNCE-OQOREVAYSA-N 369.324 2.971 30 40 FFEB NC1=C(c2nc3ccccc3s2)C(=O)CN1c1cccc(C(=O)O)c1 3226947 FDMIMQAYGAASAJ-UHFFFAOYSA-N 351.387 2.711 30 40 FFEB CCCCCCCNC(=O)c1c(O)[nH]c2cc(OC)c(OC)cc2c1=O 2145500 HSKXWFTZDRCVHZ-UHFFFAOYSA-N 362.426 2.951 30 40 FFEB biogenic C[C@H](Oc1ccc(O[C@@H](C)C(=O)/C=C/N(C)C)cc1)C(=O)/C=C/N(C)C 4084272 OFEMPMXDFKBGNQ-AULWOPAISA-N 360.454 2.510 30 40 FFEB Cc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2[nH]c(N)nc(=O)c21 4385825 NXHWZRBAIVYDLC-AWEZNQCLSA-N 350.422 2.861 30 40 FFEB CNC(=O)N(O)[C@@H]1N(/N=C/c2ccc(C)cc2)C(=S)SC1(C)C 4794978 NZDHVUOGMNUXDO-UWONZBIMSA-N 352.485 2.798 30 40 FFEB CC/N=C1/S/C(=C/c2ccccc2OCC(=O)OCC)C(=O)N1CC 408932352 WAWNKPAAVILIJB-IPGLUOITSA-N 362.451 2.941 30 40 FFEB C=CCn1c(SCC(=O)NCc2cccs2)nnc1-c1ccncc1 6905071 KTCUBMMPOVOEEX-UHFFFAOYSA-N 371.491 2.996 30 40 FFEB Cc1ccc(NC2=NNC(=C3C=CC(=NS(C)(=O)=O)C=C3)CS2)cc1 9379029 ZVCBOUKAANIOHA-UHFFFAOYSA-N 374.491 2.795 30 40 FFEB COc1cc(/C=N\c2ccc(O)c(C(=O)O)c2)ccc1O[C@@H](C)C(=O)O 409017488 WXSGSTMHKCFULO-OVNPTBDBSA-N 359.334 2.702 30 40 FFEB CCCCCCCCn1c(N/N=C(\C)CC)nc2c1c(=O)[nH]c(=O)n2C 97968820 IJDJUCSBIJGTGT-FYJGNVAPSA-N 362.478 2.982 30 40 FFEB C#CCOc1ccc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1OC 409241080 WYTWVEUFHSGOMD-FOWTUZBSSA-N 361.419 2.780 30 40 FFEB O=C(c1ccco1)N1CCC[C@@H](/C(O)=N/c2nc(C(F)(F)F)n[nH]2)C1 40071131 ZKHGTGQZIPYBDH-MRVPVSSYSA-N 357.292 2.557 30 40 FFEB N#Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 2644507 KRKDTSLSDRQGTF-UHFFFAOYSA-N 369.446 2.985 30 40 FFEB C=CC[C@H]1N(c2ccc(Cl)cc2)C(=O)[C@@H]2[C@H](C(=O)OC)[C@H]3C=C[C@]21O3 911791 RQCWAQWAWPQZFH-GMKVZWAMSA-N 359.809 2.744 30 40 FFEB biogenic Cc1nn(C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)c(=O)c(C#N)c1C 45821610 VAVCWWKSWIZVMT-CJNGLKHVSA-N 361.829 2.524 30 40 FFEB N#Cc1cccc(S(=O)(=O)/N=C(\O)COc2ccc3c(c2)CCC3)c1 48598091 AUNROKOYJNDKNW-UHFFFAOYSA-N 356.403 2.771 30 40 FFEB C[C@H]1CCc2ccccc2N1C(=O)CO/N=C(/N)c1ccc(N(C)C)cc1 75121315 NGNYSJPDSJXDLH-HNNXBMFYSA-N 366.465 2.757 30 40 FFEB CCOC(=O)N1CCN([C@@H](C#N)c2cccc(Br)c2)CC1 36126951 WJXQEBUGQJIIQP-AWEZNQCLSA-N 352.232 2.788 30 40 FFEB CCC1(CC)NC(=O)N(CC(=O)c2cn(CCC#N)c3ccccc23)C1=O 8709666 XOMPQZMZRZGUPZ-UHFFFAOYSA-N 366.421 2.848 30 40 FFEB COc1cc(/C=N/N=c2\sc3ccccc3n2C)ccc1OCCO 104242816 JPUYDBAJMCNZRK-UCNDJUHZSA-N 357.435 2.554 30 40 FFEB C=CCOc1ccc(C(=O)N2CCN(CCc3ccccn3)CC2)cc1 20897242 GIIZBNXBGASEJP-UHFFFAOYSA-N 351.450 2.647 30 40 FFEB C/C(=N\N=C1/S[C@@H](CC(=O)O)C(=O)N1c1ccccc1)c1ccco1 39366553 LPWZTQQUBFICOZ-VQNQYXIMSA-N 357.391 2.983 30 40 FFEB CC1(C)OC[C@@H]2C[C@]21NC(=O)N=c1ccn(-c2ccc(Cl)cc2C#N)[nH]1 529053587 JVOICCFCAYRLKQ-SGTLLEGYSA-N 371.828 2.508 30 40 FFEB Cc1nc2ccccc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 38159768 LSANMQAURYDNKJ-QGMBQPNBSA-N 358.741 2.854 30 40 FFEB N#Cc1cccc(C(=O)N2CCC3(CC2)C[C@H](Nc2ccccn2)CO3)c1 96221338 MWYKWRRJNFHKEP-SFHVURJKSA-N 362.433 2.829 30 40 FFEB N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)NCc2ccccc2)CC1 252539911 ORIHTFCZSVYPGL-WKILWMFISA-N 351.410 2.538 30 40 FFEB COc1cc(/C(O)=N/S(=O)(=O)c2ccc(F)cc2F)cc(OC)c1C 48457577 YMZPTMVZCGNFNJ-UHFFFAOYSA-N 371.361 2.984 30 40 FFEB C[C@H](OC(=O)COc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cn1 5990553 OYYQLYDFDHZKOX-NSHDSACASA-N 359.769 2.556 30 40 FFEB COc1ccc([C@H]2CCCCCN2S(=O)(=O)N(C)CCC#N)cc1 27964522 GAUVAQDJKQSGBZ-QGZVFWFLSA-N 351.472 2.703 30 40 FFEB COc1ccc(C(=O)[C@H](C#N)c2cc3c(c(OC)c2OC)OCO3)cc1 96336470 HQWCKMDTDCFYPE-CQSZACIVSA-N 355.346 2.931 30 40 FFEB Cn1cc(S(=O)(=O)/N=C(\O)CCCOc2ccccc2Cl)cn1 51897460 FBAXTPVOZJFWLA-UHFFFAOYSA-N 357.819 2.578 30 40 FFEB CCOC(=O)c1ccc(-c2ccc(/C=N/c3cnn(C)c3C(N)=O)o2)cc1 2786523 NGQWRIRNQNNKLG-UFFVCSGVSA-N 366.377 2.706 30 40 FFEB C[C@H](CN1C(=O)/C(=C/c2ccc(C#N)cc2)N=C1S)Cn1ccnc1 988126 ARAZJOFXSWSELB-TUTDSIAXSA-N 351.435 2.560 30 40 FFEB COc1ccc(CCNC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1 25282047 FKNZCLLBEWAYSI-UHFFFAOYSA-N 364.449 2.537 30 40 FFEB N#Cc1cccc(CNC(=O)NCc2nnc3ccc(C(F)(F)F)cn23)c1 48254490 WKGAMXPKEKXAAQ-UHFFFAOYSA-N 374.326 2.619 30 40 FFEB COc1ccc(N2CCN(c3oc(-c4cccnc4)nc3C#N)CC2)cc1 35672098 ILVPJNWHDKASTC-UHFFFAOYSA-N 361.405 2.943 30 40 FFEB O=S(=O)(Cc1cc(-c2ccccc2)no1)/N=C(\O)C[C@@H]1CCCO1 58110927 GORJYVJOPHNDCI-ZDUSSCGKSA-N 350.396 2.697 30 40 FFEB Cc1cc(C)n2c(S[C@H](C)C(=O)NC3(C#N)CCCCC3)nnc2n1 3415867 OKUWEXAWYKAYPB-CYBMUJFWSA-N 358.471 2.564 30 40 FFEB CCOC(=O)c1oc2ccccc2c1Cn1cc([N+](=O)[O-])cc(C#N)c1=O 16674495 YOGIATTYEXQMJD-UHFFFAOYSA-N 367.317 2.599 30 40 FFEB C[C@@H](Sc1nc2sccc2c(=O)[nH]1)C(=O)Nc1cccc(C#N)c1 8456703 LDTDHDFAWUKJDI-SECBINFHSA-N 356.432 2.976 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)NCc1ccc(Cl)cc1 408708900 MXHWWABCPOGCGB-UHFFFAOYSA-N 371.824 2.511 30 40 FFEB COc1ccc(N2CCO[C@H]2c2cn(Cc3cccc(C#N)c3)nn2)cc1 216767194 HUMFAPRFJSPBGU-FQEVSTJZSA-N 361.405 2.742 30 40 FFEB CC1=NN(c2cccc(S(=O)(=O)O)c2)/C(=N/c2ccccc2C(=O)O)C1 255189430 PVWFSJMQIVQFEO-FBMGVBCBSA-N 373.390 2.948 30 40 FFEB Cc1nnc2n1-c1sc(C#CCO)cc1C(c1ccccc1Cl)=NC2 13821393 SAICKZLDVXOFFG-UHFFFAOYSA-N 368.849 2.985 30 40 FFEB in-vitro CC(C)CN1C[C@H](C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1=O 29787082 XPFFTGMPJGBFGO-GOSISDBHSA-N 361.445 2.924 30 40 FFEB C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)c1 23433149 WQIDFCXZHUWQRU-RDJZCZTQSA-N 362.495 2.803 30 40 FFEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc2c(c1)CCO2 24923899 BPDRLQGNBYDEMM-UHFFFAOYSA-N 361.405 2.724 30 40 FFEB C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cnccn1 4313136 UUQGZMOOJAOABB-UHFFFAOYSA-N 366.450 2.960 30 40 FFEB C=CCNC(=O)[C@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N 7170998 MZVVRGABZVSNJV-LBPRGKRZSA-N 359.499 2.739 30 40 FFEB Cn1nnnc1SCCC(=O)Nc1sc2c(c1C#N)CCCCC2 7445410 CTYJBXHNFWNZGU-UHFFFAOYSA-N 362.484 2.533 30 40 FFEB N#Cc1nc(Cc2ccccc2)oc1N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 32124472 JEGRMYOGXQRVHB-SJORKVTESA-N 372.428 2.922 30 40 FFEB biogenic COC(=O)c1cccc(NC(=S)N/N=C/c2ccc(OC)c(OC)c2)c1 1085209 RTKKJLVLUCDSFS-YBFXNURJSA-N 373.434 2.811 30 40 FFEB C/C(=N/N=C1/S[C@H](CC(=O)O)C(=O)N1c1ccccc1)c1ccco1 5454809 LPWZTQQUBFICOZ-HTRXKIALSA-N 357.391 2.983 30 40 FFEB Oc1c(Br)cc(/C=N/N2CCOCC2)cc1Br 1421014 GUBYBJSWQIKDEI-VGOFMYFVSA-N 364.037 2.583 30 40 FFEB CCN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)C[C@@H](C)C#N 40158313 PIKARPQNUVVBLB-HNNXBMFYSA-N 356.470 2.779 30 40 FFEB CC(/C=C/c1ccc([N+](=O)[O-])o1)=N\N1C[C@H](CN2CCCCC2)OC1=O 4692626 XPVPXZXZCUMYNI-PWCYXJHHSA-N 362.386 2.884 30 40 FFEB COc1ccccc1CN(C)C(=O)C1CCN(c2ccc(C#N)cn2)CC1 24014237 PJSDHGWSCGTONZ-UHFFFAOYSA-N 364.449 2.837 30 40 FFEB CC(=O)N1c2ccc(S(=O)(=O)Oc3cccc(C#N)c3)cc2C[C@@H]1C 58530188 MIMYTWYSZQXQDE-LBPRGKRZSA-N 356.403 2.623 30 40 FFEB C=CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 3447591 NQGMITULALIHHR-UHFFFAOYSA-N 369.421 2.919 30 40 FFEB C=CCN(Cc1ccc(Br)s1)C(=O)Cn1ccccc1=O 14170839 OZZOJPDWZVRFIA-UHFFFAOYSA-N 367.268 2.887 30 40 FFEB O=S(=O)(/N=C(\O)c1cccc2c1OCCO2)c1ccc(Cl)cc1F 65655513 HMPABBNAJNOSQX-UHFFFAOYSA-N 371.773 2.944 30 40 FFEB Cc1nn2c(N/N=C/c3ccc(F)cc3F)nc3ccccc3c2nc1=O 97105480 HMNPSYSXOVOGDM-ZVBGSRNCSA-N 366.331 2.670 30 40 FFEB N#Cc1c(F)cccc1NCCNC(=O)N1CCO[C@H](c2ccccc2)C1 89828109 AEMYAAARRQIGHX-IBGZPJMESA-N 368.412 2.892 30 40 FFEB CO[C@@H]1O[C@@]23CCC4=CC(=O)CC[C@]41[C@H]2CC[C@]1(C)[C@@H](C(=O)CO)CC[C@H]13 118939897 OZBRSASHLPSDOA-JLKFIEDVSA-N 374.477 2.801 30 40 FFEB CCS[C@@H]1C(C(=O)c2ccccc2Cl)=C(CC(=O)O)C(=O)N1C 62716281 RWPDDZVGZQBNQM-MRXNPFEDSA-N 353.827 2.845 30 40 FFEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(N)nc(=O)c32)cc1 18219513 FTDLQJXJDYEQCM-AWEZNQCLSA-N 366.421 2.561 30 40 FFEB C[C@@H]1CC(=O)C2=C(O1)O[C@@]1(C)[C@@H](C2)[C@]2(C)CC[C@@H](O)C(C)(C)[C@H]2C[C@H]1O 514288079 NJXOESIYMRITAI-DVMLWXJRSA-N 364.482 2.939 30 40 FFEB biogenic,in-vitro N#CC1(C(=O)N2CCC3(CC2)C[C@H](OCc2cccnc2)CO3)CCCC1 1565556595 WRNVOCZGJFNYAJ-SFHVURJKSA-N 369.465 2.832 30 40 FFEB O=C1Nc2ccccc2/C1=N/N1CCN(Cc2ccc(Cl)cc2)CC1 20131127 QAKHITIRLLJPLQ-UHFFFAOYSA-N 354.841 2.814 30 40 FFEB CCOC(=O)COc1cccc(/C=N/NCc2ccc(OC)c(OC)c2)c1 20196381 YRMXIGHEWGOHTO-CIAFOILYSA-N 372.421 2.769 30 40 FFEB N#CC1(NC(=O)CSc2nncn2CCc2cccs2)CCCC1 11106757 YZBDLYYAWPLBKJ-UHFFFAOYSA-N 361.496 2.627 30 40 FFEB C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)CCCC(C)C)cc1 12916893 XLROBHGICDREHT-HNNXBMFYSA-N 350.484 2.543 30 40 FFEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(CC)cc1 13115602 OSYCDDDZJMNXHL-PLDZJGDPSA-N 366.508 2.651 30 40 FFEB COC(=O)COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 14408826 WWJMIAANTDLMPU-RQZCQDPDSA-N 374.309 2.501 30 40 FFEB Cc1ccc(C)c(NC(=O)/C(=N\NC(N)=S)[C@@H](C#N)c2ccccc2)c1 17191866 TWLKLEPGFUUZIZ-ADSWHHSESA-N 365.462 2.739 30 40 FFEB N#CCCSc1ccccc1NC(=O)c1cccc(-n2cnnn2)c1 78568620 HFCODHYAJGCUPH-UHFFFAOYSA-N 350.407 2.920 30 40 FFEB Cc1ccc(-c2nc(Cn3cc([N+](=O)[O-])cc(C#N)c3=O)co2)c(C)c1 24752114 XCKWTDZLJBGXQW-UHFFFAOYSA-N 350.334 2.948 30 40 FFEB CNC(=O)[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1ccc(C#N)cc1 36390323 DEALYYCGQKEFNU-GOSISDBHSA-N 370.840 2.569 30 40 FFEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](F)[C@@]2(O)C(=O)CO 118927091 OYOTUJJSZZYQPO-YWUYUPJPSA-N 364.457 2.759 30 40 FFEB N#Cc1ccc(S(=O)(=O)N2CCCc3c(Cl)ccc(F)c32)cn1 97001695 PZEZQDCIBBDBPX-UHFFFAOYSA-N 351.790 2.887 30 40 FFEB N#Cc1cc2cc3c(cc2nc1NCCNC(=O)Cc1ccccc1)OCO3 35311319 UHICKXLZRSMJDT-UHFFFAOYSA-N 374.400 2.606 30 40 FFEB N#Cc1c(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)sc2c1CCC2 31625259 QUUWZMKKJLRCAY-UHFFFAOYSA-N 367.352 2.928 30 40 FFEB N#Cc1cccc(C(=O)N2CC3(C[C@H](Oc4ccccn4)CS3)C2)c1 575404685 UIZTWHPAQZGIJR-INIZCTEOSA-N 351.431 2.732 30 40 FFEB Cc1ccc(NC(=O)/C=N/OCC(=O)N2c3ccccc3C[C@@H]2C)cc1 3285053 JUFJFNDEDWHZEL-NGZBARDMSA-N 351.406 2.914 30 40 FFEB C=CCN(C(=O)c1csnn1)[C@@H](C(=O)NC(C)(C)C)c1ccccc1 4890383 LAGCSZSJPNPVFO-OAHLLOKOSA-N 358.467 2.822 30 40 FFEB Cc1cc(=O)[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1 9143533 XRCDOTNWYRBBRO-UHFFFAOYSA-N 360.464 2.621 30 40 FFEB C#CCN1C(=O)S/C(=C/c2cn(CC(=O)OCC)c3ccccc23)C1=O 409047123 MUARQGNSIRGJKT-MHWRWJLKSA-N 368.414 2.874 30 40 FFEB C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2ccco2)cc1 48548143 OARPPEPDNVQFFT-UHFFFAOYSA-N 363.439 2.750 30 40 FFEB Cc1nc(-n2ncc(C#N)c2/N=C/N(C)C)c2c3c(sc2n1)CCC3 4284169 RJUSKIZNEGFWDY-DJKKODMXSA-N 351.439 2.767 30 40 FFEB COc1ccc(-c2c(C#N)c(N)nc(OC)c2C#N)cc1Br 19862852 ZGCLHGICINYATC-UHFFFAOYSA-N 359.183 2.854 30 40 FFEB COc1cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc([N+](=O)[O-])c1O 35387910 GSWGFXSTISIFHZ-DUXPYHPUSA-N 370.317 2.536 30 40 FFEB Cc1cccc2c1[nH]c1nc(N/N=C\c3cccc([N+](=O)[O-])c3O)nnc12 33154919 MEYNKFZMMKSMPX-LSCVHKIXSA-N 363.337 2.874 30 40 FFEB CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)/N=C1/NCCS1 56389542 FATVFIAEXAAFOM-GOSISDBHSA-N 369.490 2.742 30 40 FFEB CCc1c(C)nc(/N=C(\N)N2CCC(Cc3ccccc3)CC2)[nH]c1=O 19819787 WYZJIHKWHXEBOU-UHFFFAOYSA-N 353.470 2.542 30 40 FFEB Cn1c(N/N=C/c2cn(CCC(N)=O)c3ccccc23)nc2ccccc21 7343396 ZAOQBPZOXWXACV-WSDLNYQXSA-N 360.421 2.849 30 40 FFEB N#Cc1cnc(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nc1N 6978205 LSZKCJFMBZHMOL-HNNXBMFYSA-N 353.451 2.776 30 40 FFEB Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCN(C)CC3)C2=O)o1 20503229 JXEPZOGAOIBSNZ-WQRHYEAKSA-N 354.406 2.657 30 40 FFEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N/Nc1ccccc1[N+](=O)[O-] 101490496 RXWWQYVUGBLOLU-OBGWFSINSA-N 368.309 2.694 30 40 FFEB N#Cc1ccc(N2CC[C@@H](N3CCO[C@@H](c4ccc(F)cc4)C3)C2=O)cc1 25949461 YLOSCGVJNURRFI-WOJBJXKFSA-N 365.408 2.876 30 40 FFEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 101300843 KPEQTZRZUOPQFM-BLCHQYFCSA-N 372.899 2.742 30 40 FFEB FC(F)(F)c1nn(CN2CCOCC2)c(=S)n1/N=C/c1ccccc1 28114205 VAEQWQHBOXAKPS-VXLYETTFSA-N 371.388 2.605 30 40 FFEB Cc1nn(CC(=O)N2CC[C@@H](C)Sc3ccccc32)c(=O)c(C#N)c1C 7384809 LTIIOSOGYQMTJW-GFCCVEGCSA-N 368.462 2.649 30 40 FFEB Cc1cc(NC(=O)CSc2nc(O)cc(C(F)(F)F)c2C#N)no1 8012610 FWWNXPXCPNMYND-UHFFFAOYSA-N 358.301 2.705 30 40 FFEB N#Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 9856090 UQWSVUMCRLOPTO-UHFFFAOYSA-N 369.446 2.598 30 40 FFEB COC(=O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 5446325 WCIXCOCCCMEJTH-SFHVURJKSA-N 365.385 2.746 30 40 FFEB Cc1cccc(NC(=O)[C@H]2CC(=O)N=C(N/N=C\c3ccco3)S2)c1 5755559 PIYYFPYNWFVVPO-FNHQQPGVSA-N 356.407 2.538 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1ccc(C)cc1 102799001 UOEFHZXTULXZKX-HVESIFNPSA-N 355.390 2.965 30 40 FFEB C[C@H]1Cc2ccccc2N1C(=O)Cn1c(-c2cccnc2)ccc(C#N)c1=O 4931827 WIYKIEWZVPWTRM-HNNXBMFYSA-N 370.412 2.760 30 40 FFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(c2nccs2)CC1 10270222 JXNOYHDOMFPZEC-UHFFFAOYSA-N 367.434 2.669 30 40 FFEB C=C(Br)CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 58419484 LACUPWHSJMLYLR-AWEZNQCLSA-N 363.255 2.553 30 40 FFEB C/N=C1/S/C(=C/C(=O)O)C(=O)N1CCc1c[nH]c2ccc(Cl)cc12 5274648 WZZULCWQVZBLLX-SBQRGUQISA-N 363.826 2.894 30 40 FFEB COC(=O)c1cc(NC(=O)[C@@](C)(C#N)c2ccc(Cl)cc2)cnc1OC 225961195 UJGXXWAGCNBXIB-SFHVURJKSA-N 373.796 2.950 30 40 FFEB OC(=Nc1cnc2c(c1)CCCC2)N1CCN(Cc2cscn2)CC1 329481271 VVMJMNBUWYAXJZ-UHFFFAOYSA-N 357.483 2.780 30 40 FFEB Cc1noc(N)c1C(=O)O[C@H](C)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 54155873 XLUPMHFQFLYYKK-HMHNVIDESA-N 369.421 2.991 30 40 FFEB CCC1(CC)Cc2ccccc2C2=C(C(=O)N3CCCC3)C(=O)C(=O)N21 2192435 CAKMLUFUBVRELS-UHFFFAOYSA-N 352.434 2.546 30 40 FFEB biogenic Cc1sc(NC(=O)Cn2cnc3c(C)cccc3c2=O)c(C#N)c1C 24464435 GFIRUOHFFXUABZ-UHFFFAOYSA-N 352.419 2.894 30 40 FFEB COC(=O)[C@H]1C(=O)C2=C(CC1(C)C)N1CCc3ccccc3[C@@H]1CC2=O 2097459 KNBZHZUPWBHCEM-KBXCAEBGSA-N 353.418 2.601 30 40 FFEB biogenic N#Cc1ccc(NC(=O)N2CCN(CCCOCC(F)(F)F)CC2)cc1 58173697 DESBAOJWXOPREK-UHFFFAOYSA-N 370.375 2.677 30 40 FFEB N#CCCN(/N=C/c1ccccc1F)C1=NS(=O)(=O)c2ccccc21 6258446 WGVGEQHFTDLZKW-UDWIEESQSA-N 356.382 2.524 30 40 FFEB COc1cc2c(cc1OC)CN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2 7984667 NWOKFBFJDAABBW-JLTOFOAXSA-N 359.470 2.505 30 40 FFEB Cc1nnc(CCCO/N=C(/N)c2cccc(CN3CCCCC3)c2)o1 95454308 LQAKZZDIZLYWHP-UHFFFAOYSA-N 357.458 2.634 30 40 FFEB C=CCN1CC[C@@]2(CN(Cc3ccncc3)C[C@@H]2c2nccs2)C1=O 306126420 DVBODPBPLSXPDW-APWZRJJASA-N 354.479 2.542 30 40 FFEB O=[N+]([O-])c1cc(/C=N\NS(=O)(=O)c2ccc3ccccc3c2)ccc1O 408963094 MMTZZDMLIYPSDU-WQRHYEAKSA-N 371.374 2.766 30 40 FFEB C=CCNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 13585083 PNIAQTYMGKCWAX-UHFFFAOYSA-N 374.462 2.501 30 40 FFEB COc1cccc(N2C(=O)C[C@@H](S/C(N)=N/c3ccccc3)C2=O)c1 17730154 CSAMBJRMQUYYSQ-OAHLLOKOSA-N 355.419 2.707 30 40 FFEB Cc1ccccc1OCC(=O)N[C@H]1CC[C@H](Oc2nccnc2C#N)CC1 245171755 XTOPRKXBWWGDBU-WKILWMFISA-N 366.421 2.542 30 40 FFEB CN(CN(C)/N=C/c1ccccc1[N+](=O)[O-])/N=C\c1ccccc1[N+](=O)[O-] 4887435 TYYSGWJJGYOROP-VHVWWYSBSA-N 370.369 2.692 30 40 FFEB COc1ccc(OC)c2c1CN(Cc1cn3ccccc3c1C#N)C[C@@H]2O 58162228 LYGGMZOIOCVFGL-SFHVURJKSA-N 363.417 2.877 30 40 FFEB N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCS(=O)(=O)C1 12873582 HPHDUBBNIJLSKM-AWEZNQCLSA-N 372.471 2.626 30 40 FFEB COc1ccc(C2=NC[C@H](CSc3ncc(C#N)c(N)n3)S2)cc1 23106067 MDYZMLKKFCFESS-CYBMUJFWSA-N 357.464 2.593 30 40 FFEB C[C@H](NC(=O)Nc1ccc(F)cc1C#N)c1ccc(S(C)(=O)=O)cc1 97036786 HAMGWSCUKHEFTA-NSHDSACASA-N 361.398 2.984 30 40 FFEB COC(=O)c1ccc(O[C@H](C)C(=O)N(C)C2(C#N)CCCCC2)c(OC)c1 7623042 YPKWWJOWNRSKNH-CQSZACIVSA-N 374.437 2.934 30 40 FFEB COc1ccc([C@H](C#N)C(=O)c2cc3c(c(OC)c2OC)OCO3)cc1 66088532 KKLWXEUOUZMAGG-AWEZNQCLSA-N 355.346 2.931 30 40 FFEB CCOC(=O)[C@@H](C#N)C(c1cc(Cl)ccc1O)[C@H](C#N)C(=O)OCC 5325921 JVFDZIHTCPFBRW-STQMWFEESA-N 364.785 2.535 30 40 FFEB CCOc1ccc(S(=O)(=O)/N=C(\c2ccccc2)N2CCOCC2)cc1 17862450 CFNRDIUEXYZQLR-FMQUCBEESA-N 374.462 2.553 30 40 FFEB N#CC1(C(=O)N2CC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)CCCC1 1614940722 VIDMMEVZWXZAOX-LJQANCHMSA-N 355.413 2.865 30 40 FFEB CCCCN1C(=O)/C(=N\c2cccc(S(N)(=O)=O)c2)c2ccccc21 103102311 PEZYCXZHFROZPI-JZJYNLBNSA-N 357.435 2.602 30 40 FFEB Cn1c(SCC(=O)N(CC#N)c2ccccc2)nc2sccc2c1=O 23423027 ZBOMLHGKRDGUJY-UHFFFAOYSA-N 370.459 2.644 30 40 FFEB COc1ccc([C@H](CN/C(N)=N/Cc2ccco2)N2CCCCC2)cc1 58171476 ODDSUPTXDNUFPO-IBGZPJMESA-N 356.470 2.920 30 40 FFEB O=S(=O)(/N=C(\O)[C@@H]1COc2ccc(Cl)cc2C1)c1cccnc1 42322173 MWKAZZAMSNEBAY-NSHDSACASA-N 352.799 2.632 30 40 FFEB CCC(=O)NC(O/N=C(/N)c1ccccc1)(C(F)(F)F)C(F)(F)F 5701707 LXMZDLSCFCKXHE-UHFFFAOYSA-N 357.254 2.671 30 40 FFEB CC(=O)N[C@H]1CCCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 95953654 UMTSAEXKYLAKGG-ZBFHGGJFSA-N 374.510 2.620 30 40 FFEB C=CCN1C(=O)N/C(=C/c2cc(Br)cc(OC)c2OC)C1=O 409135253 XUSWQUOTCNULFU-YRNVUSSQSA-N 367.199 2.545 30 40 FFEB COc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(C)cc3C)C2=O)c1 408538192 ZCECKCWZFRQALK-MRXNPFEDSA-N 365.389 2.914 30 40 FFEB CCOC[C@]1(C#N)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(Br)cc1 218201963 YVECZIITEUXQBV-KKUMJFAQSA-N 372.284 2.896 30 40 FFEB COc1ccc([C@@H](C#N)C(=O)c2cc(OC)c3c(c2OC)OCO3)cc1 66089819 XORQGRQIUJXEHR-CQSZACIVSA-N 355.346 2.931 30 40 FFEB C=CCN1CCC2(CC1)C[C@H](NC(=O)c1c[nH]cn1)c1ccccc1O2 96079806 JDGMIVGGUBWQIS-INIZCTEOSA-N 352.438 2.684 30 40 FFEB Cc1ccc(-n2nnnc2/C(=C/N(C)C)C(=O)c2ccc(F)cc2)cc1 6301102 WHNRCYHNNKDXNN-SFQUDFHCSA-N 351.385 2.895 30 40 FFEB C[C@H]1C[C@@H]2C(=O)C=C3OCO[C@@]34Oc3cc5c(cc3[C@H]([C@@H]24)[C@@H]1C)OCO5 34505096 GMTJIWUFFXGFHH-NRRZXPMOSA-N 356.374 2.967 30 40 FFEB biogenic,in-vitro C=CCN1CC2(CCN(C(=O)c3ncn(C)n3)CC2)c2cc(Cl)ccc21 1565546444 BLUJIQLTGAYPHH-UHFFFAOYSA-N 371.872 2.649 30 40 FFEB COc1cc(/C=C/C(=O)OCC(=O)N2CCCCCC2)ccc1OCC#N 3352146 PEXXYLROEGIUAC-VQHVLOKHSA-N 372.421 2.557 30 40 FFEB COC(=O)C[C@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccccc1 12875939 GOQCAEBNTIRUMB-KSSFIOAISA-N 352.390 2.746 30 40 FFEB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)/N=C(\O)C1=NN(C)C(=O)CC1 48471667 RHBJAEFVMGUJLA-UHFFFAOYSA-N 365.455 2.546 30 40 FFEB CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCO)cc1 4095389 HUQBYBQKFAZDSV-SFHVURJKSA-N 367.401 2.656 30 40 FFEB COc1cccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1OC(C)C 409408589 YPMYGSHGYHNOEA-MGBSGCIJSA-N 354.406 2.623 30 40 FFEB COc1ccc2c(c1)OC[C@@H](/C(O)=N/S(=O)(=O)c1cccs1)C2 50204590 SQJGJXQWEHTVDJ-NSHDSACASA-N 353.421 2.653 30 40 FFEB COC(=O)c1sc(NC(=O)c2c(OC)cccc2OC)c(C#N)c1C 806991 SBFUWAJSNMHPOF-UHFFFAOYSA-N 360.391 2.984 30 40 FFEB CCS(=O)(=O)c1ccc(NCC(=O)NC2(C#N)CCCCCC2)cc1 42665924 OSLSWMZZNYGWMD-UHFFFAOYSA-N 363.483 2.625 30 40 FFEB CN(C)C[C@H](O)COc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1 58202777 IICDQBVKSWXOKZ-KRWDZBQOSA-N 354.410 2.504 30 40 FFEB CCc1ccc(O)c(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 58228840 YUHWPYQHIPHEQQ-UHFFFAOYSA-N 366.421 2.654 30 40 FFEB Cc1ccc2nc(N=C3NCN(CCc4ccccc4)CN3)nc(C)c2c1 19322354 LCYIPMOBOXMHEW-UHFFFAOYSA-N 360.465 2.887 30 40 FFEB aggregator Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C#N)c(O)c1 9515203 MRYQIBIUVWXKMQ-LLVKDONJSA-N 369.333 2.665 30 40 FFEB O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1ccccc1F 34863279 KNPJCTNMVCZKET-UHFFFAOYSA-N 361.398 2.549 30 40 FFEB COC1(c2nc(-c3ccccn3)no2)CCN(c2ncccc2C#N)CC1 568540917 SLVJNYWCSYILSD-UHFFFAOYSA-N 362.393 2.540 30 40 FFEB Cc1nc(N/N=C/c2c(O)ccc3ccccc23)cc(N2CCOCC2)n1 5003243 HAKHVYXCFCZASD-FYJGNVAPSA-N 363.421 2.926 30 40 FFEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cnccn3)c2)c1 22828684 YWSKTSZDZUFOJF-UHFFFAOYSA-N 357.369 2.915 30 40 FFEB Cc1nc(/C=N/OCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccn12 107482238 IRSGBUZALIRGAM-WYQTUGHKSA-N 354.454 2.934 30 40 FFEB N#CCOC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 3322710 POBQMHANHJLTIH-UHFFFAOYSA-N 356.831 2.585 30 40 FFEB C=CCOc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1OC 26770672 JGBGDKKOWMRYLR-FOWTUZBSSA-N 360.435 2.563 30 40 FFEB CC(=O)N1CCN(c2ccc(/N=C/c3cccc([N+](=O)[O-])c3O)cc2)CC1 4663363 CTAQHZGOTBPMOK-DEDYPNTBSA-N 368.393 2.720 30 40 FFEB COc1ccc(Cn2nc(OCc3ccccc3OC)c(C#N)c2N)cc1 225848257 HKIRNVAYCKMRAW-UHFFFAOYSA-N 364.405 2.981 30 40 FFEB Cn1c(=O)c2ccccc2n2c(CNc3ccc(Cl)c(C#N)c3)nnc12 12562364 KGJYBAZNCCUZMK-UHFFFAOYSA-N 364.796 2.718 30 40 FFEB C=CCN1CCCC12CCN(C(=O)COc1cc(F)ccc1F)CC2 2055824424 RGNPWXOILXXOFT-UHFFFAOYSA-N 350.409 2.987 30 40 FFEB CC(C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 5266039 ZYKOEFYZHAJQSR-OJVXUPTESA-N 372.899 2.597 30 40 FFEB CCO/C(O)=N/c1nnc(SCC(=O)Nc2ccc(OC)cc2)s1 32891704 FMXMXQOCFCNANX-UHFFFAOYSA-N 368.440 2.860 30 40 FFEB COc1ccc(CC(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)cc1 3371593 BNMPYIKKZAUEKA-UHFFFAOYSA-N 358.781 2.945 30 40 FFEB COc1cc(/C=N/n2c(C)nc3c([nH]c4ccc(F)cc43)c2=O)ccc1O 2341718 DNQYXAVFTGZMGD-ZVBGSRNCSA-N 366.352 2.922 30 40 FFEB COc1cccc(/C=C2\Oc3cc(OCC(=O)O)ccc3C2=O)c1OC 12890127 GPULRKODCUQIRB-PXNMLYILSA-N 356.330 2.783 30 40 FFEB biogenic NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(CC(=O)O)cc1 3423991 HLQGTZBFZALMKC-UHFFFAOYSA-N 365.414 2.640 30 40 FFEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)Cc2ccc3c(c2)CCO3)s1 83150976 IHCKJRMCXZRLLD-UHFFFAOYSA-N 352.437 2.583 30 40 FFEB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(CC#N)c2ccccc2)c1C 7785290 JYYWTLZIQBIOPU-UHFFFAOYSA-N 353.378 2.548 30 40 FFEB C=CCNc1nc(C(=O)OCC(=O)NCc2cccc(Cl)c2)cs1 7984166 LXFMZLHKFQXWGL-UHFFFAOYSA-N 365.842 2.868 30 40 FFEB Cc1cccc(C(=O)O/N=C(\N)Cn2nc(C)c(Br)c2C)c1 17075017 HCFXIABCJGDUJP-UHFFFAOYSA-N 365.231 2.700 30 40 FFEB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1c1ccc(C#N)nn1 95999475 WRIJIRKJCSJWIS-IBGZPJMESA-N 374.448 2.788 30 40 FFEB C=CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(C)=O 223258015 WFIJUGGCULLKOY-NRFANRHFSA-N 366.461 2.957 30 40 FFEB C=CCc1cc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc(OCC)c1OC 96941887 BKHCFYZEQGCBQJ-FPLPWBNLSA-N 373.365 2.690 30 40 FFEB N#Cc1ccc(OC2CCN(C(=O)COc3ccccc3F)CC2)nc1 90607629 CPQODMRYTJRRMG-UHFFFAOYSA-N 355.369 2.541 30 40 FFEB Cn1cccc1CN1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N 604418792 DHKXCIUUEHCEPN-UHFFFAOYSA-N 350.447 2.861 30 40 FFEB CC1(C)OB(C2=CCN(C(=O)c3ccc4c(c3)NC(=O)C4)CC2)OC1(C)C 1776000164 HLDFOJADIFAEKE-UHFFFAOYSA-N 368.242 2.585 30 40 FFEB Cc1sc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C#N)c1C 4570287 DGHHRYZEGNTAGK-UHFFFAOYSA-N 363.464 2.739 30 40 FFEB COc1cccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1OC 23437553 TYGXBFBDSCLBBJ-UHFFFAOYSA-N 365.433 2.533 30 40 FFEB C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CCOc2cccc(C#N)c2)C1=O 47354334 JWESGHIJIUDRPI-LJQANCHMSA-N 371.343 2.682 30 40 FFEB C=C(CO)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 118918414 FHMTWLTWUUIXDI-ZXYIWLIBSA-N 360.494 2.769 30 40 FFEB Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)cc1 12868421 LKHRDMUYFSADQH-UHFFFAOYSA-N 357.435 2.718 30 40 FFEB O=C(O)COc1ccccc1/C=N/n1c(S)nnc1-c1cccs1 28379804 HQIZPUZBGHZEPL-LZYBPNLTSA-N 360.420 2.641 30 40 FFEB C[C@@H](OC[C@@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1F 69286680 HFMHUPUHNLEAHL-KOLCDFICSA-N 365.810 2.708 30 40 FFEB C=CCn1c(SCC(=O)OC)nnc1[C@@H](C)Oc1ccc(OC)cc1 17074767 KCEFROLCAOHZSL-GFCCVEGCSA-N 363.439 2.878 30 40 FFEB Cn1nnnc1Sc1c2c(c(C#N)c3nc4ccccc4n13)CCCC2 96191676 HLGLCOORMAFZSN-UHFFFAOYSA-N 361.434 2.913 30 40 FFEB Cc1occc1C(=O)N1Cc2cccn2C[C@@H](Oc2ccc(C#N)cn2)C1 248055053 YIXSLEBHLRSQSZ-QGZVFWFLSA-N 362.389 2.760 30 40 FFEB CCc1cc(N2CCN(c3ccc(C#N)nc3)CC2)nc(C(C)(C)C)n1 1888866434 FIVDLNVWQGQPDA-UHFFFAOYSA-N 350.470 2.930 30 40 FFEB CC(C)(C)N1C(=O)CS[C@H](C(=O)NC2CC2)[C@@H]1c1cccc(C#N)c1 952964518 DWLWSRKLHPJNLG-IRXDYDNUSA-N 357.479 2.620 30 40 FFEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(O)cc1)c1ccco1 795022 ZADQUMWBSYNJNV-YOEHRIQHSA-N 369.373 2.743 30 40 FFEB COc1ccc(C(C)=O)cc1CC(=O)OCCOc1ccc(C#N)cc1 22317154 DMYGVVZSEUFENB-UHFFFAOYSA-N 353.374 2.934 30 40 FFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 6979917 OHCWPAZIHAWNJT-HNNXBMFYSA-N 353.397 2.813 30 40 FFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCc1cn2ccccc2n1 12507382 CQAYJYXHJUSOOB-UHFFFAOYSA-N 359.389 2.871 30 40 FFEB N#CCc1ccc(NC(=O)CCn2nc(-c3cccs3)oc2=O)cc1 12747682 GLCZVJLPWCPAOX-UHFFFAOYSA-N 354.391 2.660 30 40 FFEB CC/N=C1\S/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)C(=O)N1CC 4695943 XCEKFGRVHMGCMQ-FSPLNVSGSA-N 351.384 2.621 30 40 FFEB N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 7309524 HKDVHZFMCKOGRI-QGZVFWFLSA-N 370.430 2.855 30 40 FFEB CCOc1ccc([C@@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)cc1OC 409148446 YSUGCPAKKJKYSG-INIZCTEOSA-N 373.405 2.558 30 40 FFEB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)C(=O)O)cc1 242688562 VSUFQRGPXVZPND-ZHALLVOQSA-N 355.415 2.838 30 40 FFEB CC(C)C[C@H](C(=O)[C@H](C#N)c1ccccn1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102379280 MOKBSNJGNVFRFU-LISAXSMJSA-N 365.433 2.624 30 40 FFEB C[C@@H](OC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)Nc1sccc1C#N 32841154 ABOYGKPHZHTRKI-SNVBAGLBSA-N 369.402 2.688 30 40 FFEB Cc1ccc2oc(C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc(=O)c2c1 22068789 DRUMYEZMXLEEDD-RBZFPXEDSA-N 370.405 2.701 30 40 FFEB CCCCS(=O)(=O)c1nnc(/N=C(\O)COc2ccc(F)cc2)s1 27664209 QCLRTNOVAAALQS-UHFFFAOYSA-N 373.431 2.918 30 40 FFEB COc1ccc(C(=O)[C@H](C#N)c2cc(OC)c3c(c2OC)OCO3)cc1 66091430 DXZGHYMYIWEYPI-CQSZACIVSA-N 355.346 2.931 30 40 FFEB C[C@@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 23762771 XNGCGZLHMUVXFP-HNNXBMFYSA-N 373.453 2.765 30 40 FFEB COc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3cccc(Cl)c3)C2=O)cc1 408537772 XDUNEIYDLBLJKI-HNNXBMFYSA-N 371.780 2.950 30 40 FFEB N#Cc1cccc(C(=O)OCC(=O)NCc2ccc(Br)cc2)c1 72333961 AHEQIFHZFWSLIV-UHFFFAOYSA-N 373.206 2.794 30 40 FFEB C=CCOc1ccc(C(=O)N2CCC3(CC2)C[C@@H](N(C)C)CCO3)cc1 1565555319 GJQZWGYVMMPXPD-SFHVURJKSA-N 358.482 2.967 30 40 FFEB C#CC1(OC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)CCCCC1 22917932 BKDKTFBTJZEBBY-NRFANRHFSA-N 356.510 2.518 30 40 FFEB CCOC(=O)C(=O)/C(=C/N(C)C)c1ncc(C(F)(F)F)cc1Cl 3047091 MCQCKGRGFRTBPT-VQHVLOKHSA-N 350.724 2.789 30 40 FFEB CCOC(=O)c1cc(-c2ccc(/C=N\NC(N)=S)o2)ccc1Cl 6956164 DVBXBKYUSOZMHZ-LSCVHKIXSA-N 351.815 2.944 30 40 FFEB COC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(C#N)cc1 8768054 AGKUEDSNGUORRU-HNNXBMFYSA-N 370.405 2.631 30 40 FFEB N#CCCN(C(=O)COc1ccccc1C#N)c1ccc2c(c1)OCCO2 5216156 PWCMDLNBMYWOQC-UHFFFAOYSA-N 363.373 2.655 30 40 FFEB C[C@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1cccc(C#N)c1 6509351 YSEADFNCJQFDKF-LBPRGKRZSA-N 364.430 2.924 30 40 FFEB COC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1ccc(OC)cc1 40313011 IRMRLTWRWKBASS-QGZVFWFLSA-N 353.378 2.700 30 40 FFEB biogenic COC[C@H](NS(=O)(=O)c1cccc(C)c1C#N)c1cccc(OC)c1 585091925 KLUGTQXZEWDNHZ-KRWDZBQOSA-N 360.435 2.541 30 40 FFEB CC(C)CN1C[C@@H](C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1=O 29787080 XPFFTGMPJGBFGO-SFHVURJKSA-N 361.445 2.924 30 40 FFEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc(O)c1)c1ccco1 795081 JVRPUWHQGRCGHT-RHSMWYFYSA-N 369.373 2.743 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1ccc(OC)cc1 102884332 GRPNQCPMUKWHDM-GROYHEBESA-N 371.389 2.665 30 40 FFEB O=C1Nc2c(Cl)cc(Cl)cc2/C1=N\N=C\c1ccc(O)c(O)c1O 3240064 YUVZJYOVKCXABJ-BLLMUTORSA-N 366.160 2.886 30 40 FFEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccccc1 6812670 AJUROQXBJKEADA-HVESIFNPSA-N 354.406 2.653 30 40 FFEB C=CCc1c(COC)nc(N2CCN(c3ccc(Cl)cc3)CC2)[nH]c1=O 22448701 AGJPGFDRFWWLQU-UHFFFAOYSA-N 374.872 2.625 30 40 FFEB N#C[C@H](C(=O)CCCNC(=O)c1ccc(F)cc1F)c1ccc(F)cn1 80420557 ZRWGMEJXVJCSEA-AWEZNQCLSA-N 361.323 2.885 30 40 FFEB N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N(C[C@H]1CCOC1)C1CC1 156486422 FPFGAPRATZKTAB-LLVKDONJSA-N 374.384 2.767 30 40 FFEB N#Cc1cccc(C(=O)N2CCC(COc3ccc4nccn4n3)CC2)c1 1888897252 AZHJMVKKYULVNM-UHFFFAOYSA-N 361.405 2.532 30 40 FFEB CC(C)[C@](C)(C#N)NC(=O)COc1cccc(I)c1 32956347 NAPZIRSSHIQADN-AWEZNQCLSA-N 372.206 2.724 30 40 FFEB Cc1sc(NC(=O)CSc2nncn2-c2ccccn2)c(C#N)c1C 4127005 YSIUSQXWSPMZHE-UHFFFAOYSA-N 370.463 2.943 30 40 FFEB Cc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)s1 58299554 KLMSOFVBNRMEHE-SFHVURJKSA-N 353.403 2.578 30 40 FFEB N#CCCCN1C(=O)[C@@](O)([C@H]2CCc3ccccc3C2=O)c2ccccc21 2198279 SFBPWLLYUSEXOP-AVRDEDQJSA-N 360.413 2.970 30 40 FFEB CCOc1cc(C#N)ccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1OC 6541193 SJKXVAXDSDHWSI-UHFFFAOYSA-N 371.349 2.891 30 40 FFEB N#Cc1ccccc1NC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 6648126 NKPKSMIXNISZQH-UHFFFAOYSA-N 372.310 2.869 30 40 FFEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3ccccc3F)c(O)nc12 17014497 CRXDDWIMNZTOBD-AWQFTUOYSA-N 352.325 2.613 30 40 FFEB COc1ccc(OC)c(CN(C2CC2)S(=O)(=O)c2ccc(C#N)cc2)c1 28055961 QIEMPMICOVPAOU-UHFFFAOYSA-N 372.446 2.929 30 40 FFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@@]2(C#N)C(=O)O)cc1 218441061 IJMPGUAVXGJYOI-JFIYKMOQSA-N 359.378 2.668 30 40 FFEB Cc1cc(C)c2[nH]c(=O)c(/C=N/C3C4(C)CN5CN(C4)CC3(C)C5)cc2c1 95472354 UHDKNLOJAFGAPK-LIMNOBDPSA-N 364.493 2.547 30 40 FFEB N#Cc1ccc(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)cn1 1888859983 HNCJDAIUKNWPGY-UHFFFAOYSA-N 356.380 2.885 30 40 FFEB CC(C)(C)c1nc2c(c(N3CCN(c4ccc(C#N)cn4)CC3)n1)CCC2 1888863823 ZVMVPTDVPRMMRG-UHFFFAOYSA-N 362.481 2.856 30 40 FFEB CCOc1ccc(-c2c(C#N)c(N)nc(SCC(=O)OC)c2C#N)cc1 22863405 MFOPGRKHUOTUHI-UHFFFAOYSA-N 368.418 2.738 30 40 FFEB N#Cc1cccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 78954226 SRCAXDZYERMXLK-AZUAARDMSA-N 364.449 2.563 30 40 FFEB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC#N)c1 3351569 RXIJOPJKTCQMNF-ZDUSSCGKSA-N 356.403 2.507 30 40 FFEB N#CCCN(C(=O)COC(=O)c1ccc2c(c1)OCO2)c1ccc(F)cc1 3529590 ZIGDACYKNTZNAA-UHFFFAOYSA-N 370.336 2.658 30 40 FFEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1CC 5516486 SXSZGCRYOKYGDB-MPOGACDISA-N 366.508 2.651 30 40 FFEB C[C@@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)Nc1ccccc1 5813051 AGVUQSXBAHTNOY-CYBMUJFWSA-N 351.362 2.723 30 40 FFEB CCOC(=O)Cn1c(C)c(/C=N/n2c(S)nnc2CC)c2ccccc21 408854720 AONGFAHCDBMUPK-VXLYETTFSA-N 371.466 2.838 30 40 FFEB C#CCCCCCC(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@H](CC)CC(F)F 1775988988 XPKVZFVSHVBGEK-HZPDHXFCSA-N 374.472 2.529 30 40 FFEB NC(=O)c1ccccc1OCC#CCNC(=O)/C=C/c1ccccc1Cl 90610509 AQUAKAGEIWKQNQ-VAWYXSNFSA-N 368.820 2.651 30 40 FFEB CCN1CCC[C@@H]1CNC(=O)c1cccc(Oc2cncc(C#N)c2)c1 685937333 HCHBCPOSVWPBCG-QGZVFWFLSA-N 350.422 2.960 30 40 FFEB N#Cc1ccc(NC(=O)c2nc(-n3cnnc3)ccc2Br)cc1 15867180 MWUFGFOIYFVDII-UHFFFAOYSA-N 369.182 2.549 30 40 FFEB C=CCNC(=O)[C@@H](C)OC(=O)COc1ccccc1Cc1ccccc1 21602505 AQJHTSPEWFIROR-MRXNPFEDSA-N 353.418 2.890 30 40 FFEB COC1=C(NC2CCCCC2)C(=O)C(OC)=C(NC2CCCCC2)C1=O 1680316 YXRCVSXWPIAXLU-UHFFFAOYSA-N 362.470 2.699 30 40 FFEB N#Cc1cccc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1 23560063 LGIQIIYNIZANSP-IBGZPJMESA-N 353.397 2.501 30 40 FFEB C=CCSc1ccccc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 10023659 CJPQRYOPZVVVKH-UHFFFAOYSA-N 359.451 2.768 30 40 FFEB Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2C#N)cc1 3498999 HKXPOOCDFXBTGW-UHFFFAOYSA-N 350.407 2.573 30 40 FFEB Cc1ccc(-c2csc(C3=C(N)N(C[C@@H]4CCCO4)CC3=O)n2)cc1 6941403 DZMWAGALCNAFQR-AWEZNQCLSA-N 355.463 2.810 30 40 FFEB Clc1ccc(-c2nc(/C=N/NN3CCOCC3)c3ccccn23)cc1 7998461 PBVIEWDDWUITAE-DEDYPNTBSA-N 355.829 2.825 30 40 FFEB CN(C[C@H](O)COc1ccccc1C(F)(F)F)c1ncccc1C#N 72018854 AQXYIRVMJMFGBH-ZDUSSCGKSA-N 351.328 2.848 30 40 FFEB N#Cc1cccnc1-n1cc(NC(=O)N2CCC[C@@H]2[C@@H]2CCCOC2)cn1 566186630 HSLYIFPWEKVIRP-NVXWUHKLSA-N 366.425 2.562 30 40 FFEB C=CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccccc2)cc1 224679775 GRGXFZGAGONDMM-UHFFFAOYSA-N 361.419 2.620 30 40 FFEB CC(C)NC(=O)CN1CCN(C2CCC(C#N)(c3ccccc3)CC2)CC1 97032728 MVJROUKKUUADTA-UHFFFAOYSA-N 368.525 2.533 30 40 FFEB Cc1cc([C@H](C#N)C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)nc(C)n1 41560335 SKMOTZHWHOBARO-MJGOQNOKSA-N 374.444 2.812 30 40 FFEB N#CCCN(CCC#N)C(=O)CSc1nncn1-c1cccc(Cl)c1 7318850 LGASPXRWMAHNTO-UHFFFAOYSA-N 374.857 2.669 30 40 FFEB CC(=O)c1ccc(N2CCN(CC(=O)Nc3sccc3C#N)CC2)cc1 34872303 APBXPQSZIGEFQU-UHFFFAOYSA-N 368.462 2.583 30 40 FFEB CN(C)C(=O)[C@H]1CN(Cc2cn3ccccc3c2C#N)c2ccccc2O1 58367745 ZGQRKLBZSDLGRD-HXUWFJFHSA-N 360.417 2.667 30 40 FFEB N#Cc1ccc(OCCOC(=O)c2cccc(CN3CCCC3=O)c2)cc1 10607670 UTWRCHIBWPLJMR-UHFFFAOYSA-N 364.401 2.916 30 40 FFEB CC/N=C1/S/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C(=O)N1CC 408928909 FXSYBGZDDNUFKD-ZDQSRFTLSA-N 366.355 2.521 30 40 FFEB Cc1c(C#N)c(NC(=O)CSc2nnc[nH]2)n(-c2cccc(F)c2)c1C 8486921 IMUAHMISIOLRKV-UHFFFAOYSA-N 370.413 2.954 30 40 FFEB N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)CC2)nc1 171742608 CQHGROSTFCOIAM-HOTGVXAUSA-N 368.387 2.684 30 40 FFEB COc1cc(N2CCOCC2)ccc1/C=N/Nc1ccc([N+](=O)[O-])cc1 409249805 LOVUHRSGDJWXOV-CPNJWEJPSA-N 356.382 2.886 30 40 FFEB N#CC1(C(=O)N2CC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)CCCC1 1565554238 VIDMMEVZWXZAOX-IBGZPJMESA-N 355.413 2.865 30 40 FFEB N#Cc1ccc(-c2ccc(Cl)cc2)nc1SCc1cc(=O)[nH]c(=O)[nH]1 6815802 SZXVPHSQHKURRF-UHFFFAOYSA-N 370.821 2.943 30 40 FFEB Cc1csc([C@@H](C#N)C(=O)CSc2n[nH]c3nc4ccccc4n23)n1 23936235 SZTLLBLHWSNOAI-JTQLQIEISA-N 368.447 2.944 30 40 FFEB CCC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc[n+](CC)c1 1277305 FKLZWWKQEBPASE-QGZVFWFLSA-O 355.458 2.900 30 40 FFEB N#Cc1cccc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)c1 12937748 RBVGMFQLLAHKLY-UHFFFAOYSA-N 369.446 2.985 30 40 FFEB CCC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(OC)c(Cl)c2)S1 5870232 HZYHIGNTANLWHX-GFCCVEGCSA-N 355.847 2.675 30 40 FFEB C[C@H](Sc1n[nH]c(N)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 8156318 RFJFUULJRPODHH-QMMMGPOBSA-N 362.484 2.708 30 40 FFEB C=CCN1CCN([C@H](CC(C)C)c2nnnn2Cc2cccs2)CC1 20141803 WIKIOCZHMBYZBL-QGZVFWFLSA-N 360.531 2.674 30 40 FFEB C[C@H](Sc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(C#N)cc1 32911011 VGLXHZXMECAVSR-NSHDSACASA-N 350.403 2.914 30 40 FFEB NC(=O)COc1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1 408968036 YYYPXIIOZYIEMG-OQLLNIDSSA-N 371.393 2.581 30 40 FFEB CCNC(=S)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1 33735673 XJKXTEVNBOPMOH-SRZZPIQSSA-N 374.441 2.661 30 40 FFEB COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)C2(C#N)C#N)cc1 218103934 SAHCEUBHALDEOM-ZWKOTPCHSA-N 352.415 2.977 30 40 FFEB O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1ccc(Br)cc1)[C@@H]1C[C@@H]31 239229091 URPZHFWDRVPDSQ-OJFNHCPVSA-N 371.234 2.836 30 40 FFEB COc1ccc(/C=C/C(=O)Nc2c(C#N)cnn2-c2nc(C)cc(C)n2)cc1 14607163 SJIOIJJJARIJTQ-RMKNXTFCSA-N 374.404 2.811 30 40 FFEB CCOC1(NS(=O)(=O)c2ccc(Cl)cc2)C(C)=CC(=O)C=C1C 16807591 MUFGMLLSIUVMGV-UHFFFAOYSA-N 355.843 2.826 30 40 FFEB N#Cc1cccnc1N1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1 1888897835 GGJYAXNTKKBTOT-UHFFFAOYSA-N 363.396 2.719 30 40 FFEB CCn1cc([C@H]2C/C(=C3/C(=O)C=C(C)OC3=O)NN2c2ccccc2)cn1 102449854 DUMTWTFYTSKFSK-FDCFBWIESA-N 364.405 2.643 30 40 FFEB C#Cc1cccc(NCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1 29981558 LTOUWZVOOIVHAG-UHFFFAOYSA-N 351.797 2.953 30 40 FFEB O=C(O)C[C@H]1S/C(=N/N=C\c2ccco2)N(c2ccc(F)cc2)C1=O 9189565 QLQPMTNUNYPAMW-OMVMCOGTSA-N 361.354 2.732 30 40 FFEB COc1ccc(CCNC(=O)c2ccc(NC(=O)CC#N)cc2)cc1OC 3418513 LYCLUYWDYOFSDK-UHFFFAOYSA-N 367.405 2.528 30 40 FFEB CC1CCN(c2nc(NC[C@@H]3CCCO3)c3c(c2C#N)CCN(C)C3)CC1 13540809 BTAFBXBQTFVWMG-INIZCTEOSA-N 369.513 2.768 30 40 FFEB CC(C)Nc1oc(-c2ccc(S(=O)(=O)N3CCCCC3)o2)nc1C#N 71289024 TUGRYMCZQSYWCR-UHFFFAOYSA-N 364.427 2.801 30 40 FFEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(OC)c1OC)CC(=O)N2 4944323 MSCQOPPUICXKGU-LLVKDONJSA-N 373.434 2.539 30 40 FFEB C#CCOc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)cc1OC 20196411 CCNBEZBVTRGNDF-HYARGMPZSA-N 354.406 2.848 30 40 FFEB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@]1(C#N)COC 218201550 HBYFUTQLFZHCFK-MCIONIFRSA-N 358.257 2.506 30 40 FFEB COc1ccccc1/C=C/c1nc(C#N)c(NCCCN2CCOCC2)o1 24219259 BPHVPYNENWDIJY-BQYQJAHWSA-N 368.437 2.859 30 40 FFEB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 20028892 DNRYLBMABIANMQ-LJQANCHMSA-N 370.424 2.652 30 40 FFEB CCOC(=O)CN1[C@H]2CCCC[C@@H]2[C@@](O)(C#Cc2ccccc2)C[C@H]1C 37540429 COUQXMNGIJLRAS-IWLVTHKOSA-N 355.478 2.985 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C/c1ccc(Br)cc1 100200566 URPZHFWDRVPDSQ-MFOOCNELSA-N 371.234 2.836 30 40 FFEB N#C[C@]1(C(=O)O)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218381692 ZMDWMBXXSXOTSK-VYDXJSESSA-N 361.806 2.874 30 40 FFEB C#C[C@@](C)(CC)OC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1 12421432 UERUPUAVVXIPPP-MOPGFXCFSA-N 350.890 2.641 30 40 FFEB Cc1sc2ncn(/N=C/c3ccc(N4CCOCC4)cc3)c(=O)c2c1C 3347201 UDMYYPDOQSZSGQ-SRZZPIQSSA-N 368.462 2.794 30 40 FFEB Cc1nnc(=O)[nH]c1N/N=C/c1cccc(OCc2ccccc2F)c1 4422788 NYNVXYPROZKXGD-KEBDBYFISA-N 353.357 2.637 30 40 FFEB C[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C#N 7658153 GEFOXGUQBLIONT-GFCCVEGCSA-N 353.334 2.579 30 40 FFEB CCOC(=O)[C@@H](NC(=S)N/N=C/c1ccc(OC)cc1)c1ccccc1 96346674 ZKBIUVIYWPMIDY-NNIWKIFQSA-N 371.462 2.798 30 40 FFEB Cc1cc(N)nc(SCCC(=O)Nc2sc3c(c2C#N)CCC3)n1 74024855 FFGSZTKRTLOOAB-UHFFFAOYSA-N 359.480 2.910 30 40 FFEB C#Cc1cccc(NC(=O)[C@@H]2CS[C@@H](Cc3ccc(F)cc3)C(=O)N2)c1 25614137 ZLZTYTSIJXXPSL-ROUUACIJSA-N 368.433 2.588 30 40 FFEB N#Cc1ncccc1N1CCC[C@H](COc2ncc(Br)cn2)C1 1776001041 WFOZEXMBAFDXTG-LBPRGKRZSA-N 374.242 2.801 30 40 FFEB CC(=O)Nc1ccccc1CC(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 1776007481 FWDQGYLFTJXXJU-INIZCTEOSA-N 372.274 2.882 30 40 FFEB C=CCn1c(SCC(=O)N2CCCC2)nc2c([nH]c3ccccc32)c1=O 5106745 PYFSOTVZEDISLT-UHFFFAOYSA-N 368.462 2.778 30 40 FFEB Cc1nc(C/C(N)=N\OCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cs1 40155645 NDVLRDNXQLFBFS-CYBMUJFWSA-N 360.483 2.777 30 40 FFEB CC(C)(/C(O)=N/S(=O)(=O)C[C@@H]1CCCCO1)c1cccc(C#N)c1 76913081 QWFAMLHWQBIVPE-HNNXBMFYSA-N 350.440 2.691 30 40 FFEB Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccccc1CN(C)C 24050440 PAKYHYVWUIEUQT-UHFFFAOYSA-N 367.497 2.724 30 40 FFEB C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccn(CCc2ccncc2)n1 58228356 UXUBBNQOETYMEG-OAHLLOKOSA-N 361.405 2.798 30 40 FFEB Cc1cccc(C)c1NC(=O)CN(c1cccc(C#N)c1)S(C)(=O)=O 12756062 ZYLZLTWZNUSDHK-UHFFFAOYSA-N 357.435 2.580 30 40 FFEB N#Cc1cccnc1N1CCN(c2cncc(-c3ccc(F)cc3)n2)CC1 72301795 LGXNJWWVIVSHDX-UHFFFAOYSA-N 360.396 2.876 30 40 FFEB O=C(C[C@H]1S/C(=N\c2ccccn2)NC1=O)Nc1ccc(Cl)cc1 12798252 JNCZIKTXJZVFNZ-GFCCVEGCSA-N 360.826 2.983 30 40 FFEB CCN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1C#N 7305625 BYJOZDWRIMPXMS-UHFFFAOYSA-N 358.419 2.540 30 40 FFEB Cc1csc(CCN2CC(=O)C(c3nc4ccccc4s3)=C2N)n1 218396732 PGHMJGBRRBJUSW-UHFFFAOYSA-N 356.476 2.816 30 40 FFEB Cc1c(NCc2ccc(N3CCOCC3)nc2)cc(C#N)cc1[N+](=O)[O-] 42109825 WZZUORVEMQFLRL-UHFFFAOYSA-N 353.382 2.619 30 40 FFEB C=CCNC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)c(OC)c1 225820582 KTOULZDANOARSH-QINSGFPZSA-N 372.446 2.838 30 40 FFEB N#CCC[PH](CCC#N)(CCC#N)CCN1C(=O)c2ccccc2C1=O 150388514 UCLJJYGSCGJYEQ-UHFFFAOYSA-N 368.377 2.774 30 40 FFEB COc1ccc(/C=N/n2c(SC)nnc2C(F)F)cc1COC(C)=O 2792383 AFFPFQQZZHPLBH-CNHKJKLMSA-N 370.381 2.892 30 40 FFEB COc1ccc([C@@H]2CC(=O)C=C(NNS(=O)(=O)c3ccccc3)C2)cc1 849592 YLTRYIDPZAUDLE-HNNXBMFYSA-N 372.446 2.509 30 40 FFEB COc1ccc(C2=NC[C@@H](CSc3ncc(C#N)c(N)n3)S2)cc1 23106064 MDYZMLKKFCFESS-ZDUSSCGKSA-N 357.464 2.593 30 40 FFEB C#CCn1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)c2ccccc21 409091077 SYZQUOSFTLLBPI-HMHNVIDESA-N 368.414 2.872 30 40 FFEB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sccc2C#N)c1 6602676 KHVLDMHLBMPAGZ-UHFFFAOYSA-N 369.855 2.776 30 40 FFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCCC2=O)cc1 7491474 HTKIGDPHQFCZFM-OAHLLOKOSA-N 363.417 2.769 30 40 FFEB COc1ccc(-c2nc(NC(=O)c3cc(C#N)ccc3C)n[nH]2)c(OC)c1 1519738431 AONISTYRHICGES-UHFFFAOYSA-N 363.377 2.921 30 40 FFEB CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C[C@]12O[C@H]1[C@@H](O)C(CO)=C[C@H]2O 35457255 VBZYLQJSPMDPOO-ZMFHJSQCSA-N 362.510 2.967 30 40 FFEB biogenic,in-vitro O=C(Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1)c1ccccn1 8209328 HXNRHCSVVFNAQQ-UHFFFAOYSA-N 372.450 2.585 30 40 FFEB CC(C)n1nc(CN2CCCC2=O)c2c1CN(C(=O)C1(C#N)CCCC1)C2 1565554393 YTSZLJUMIJSGLB-UHFFFAOYSA-N 369.469 2.513 30 40 FFEB CNc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(F)cc1 32828749 GLZVCFQQJQCKSX-OAHLLOKOSA-N 356.382 2.849 30 40 FFEB COCc1cc(C)n(CC(=O)Nc2cccc(SC)c2)c(=O)c1C#N 810885 CIRQIZDXMIPUFU-UHFFFAOYSA-N 357.435 2.535 30 40 FFEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)cc1OC 804244 RGBQLHFOHPLFTM-QGZVFWFLSA-N 354.410 2.953 30 40 FFEB Cc1ccc(S(=O)(=O)/N=C2/NC(=O)/C(=C/c3ccc(C)o3)S2)cc1 4591645 MXAPQGDBWFYKKX-ZROIWOOFSA-N 362.432 2.845 30 40 FFEB in-vivo COc1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2C)c([N+](=O)[O-])c1 4578300 VUHMUXNQGNQYIH-MNDPQUGUSA-N 353.338 2.794 30 40 FFEB N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 8246058 SUCZTYRPDFURRV-INIZCTEOSA-N 351.381 2.727 30 40 FFEB CCOc1ccc(/C=N/n2c(S)nnc2-c2n[nH]c3c2CCC3)cc1 19827472 UQIKKTVSDCJLDW-VCHYOVAHSA-N 354.439 2.727 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)NC1CCC(CC)CC1 408709366 RONWGEIGMJYZKQ-UHFFFAOYSA-N 357.454 2.626 30 40 FFEB N#Cc1ccccc1NC(=O)CN1CCN(c2ccccc2Cl)CC1 57322937 DLJCGLLXPIYQNZ-UHFFFAOYSA-N 354.841 2.972 30 40 FFEB Cc1[nH]c2c(N3CCO[C](CO)C3)c(C#N)c(C(F)(F)F)nc2c1Cl 1560403859 ZBISNNLHBGHKKM-UHFFFAOYSA-N 373.742 2.776 30 40 FFEB N#Cc1nccnc1N1CC[C@H](COc2ccc(-c3ccccc3)nn2)C1 1888890651 OICIVXQIINFGMY-HNNXBMFYSA-N 358.405 2.711 30 40 FFEB CCOC(=O)c1ccc(OC[C@H](O)CN(CCC#N)Cc2ccco2)cc1 32682412 WVHCAOZWVOAPQK-QGZVFWFLSA-N 372.421 2.612 30 40 FFEB O=C(C[C@@H]1S/C(=N/c2ccccc2)NC1=O)Nc1ccc([N+](=O)[O-])cc1 18123151 KRHYEZPQTBKOPF-AWEZNQCLSA-N 370.390 2.843 30 40 FFEB C=CCN(CC(=O)N[C@H]1CCCC[C@H]1C)S(=O)(=O)c1ccc(C)cc1 13130946 OKVSQNMBWCFNNX-AEFFLSMTSA-N 364.511 2.867 30 40 FFEB N#C[C@@H](C(=O)NC1CC1)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 102145070 FVVQPWMLYKGVPL-MRXNPFEDSA-N 362.433 2.878 30 40 FFEB N#CC1CCN(C(=O)c2ccccc2SCC(=O)N2CCCC2)CC1 58169204 JQNZPXGFZWZMEO-UHFFFAOYSA-N 357.479 2.777 30 40 FFEB O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCN(C(=O)C2CC2)CC1 12998954 HCBANTFVTROFFO-UHFFFAOYSA-N 358.441 2.781 30 40 FFEB C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)CCCC(C)C)c1 13003280 KLBZZOHVSSPDGX-OAHLLOKOSA-N 350.484 2.543 30 40 FFEB COc1ccccc1NC(=O)C[C@@H]1S/C(=N/c2ccccc2)NC1=O 6470796 KKJDCEZNVFBWAY-HNNXBMFYSA-N 355.419 2.943 30 40 FFEB CC(=O)Nc1ccc(-n2cc(C(=O)c3ccccc3O)cc(C#N)c2=O)cc1 14164757 FCPKDKYBSBCAOQ-UHFFFAOYSA-N 373.368 2.604 30 40 FFEB O=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1ccc(F)cc1)c1ccco1 5729351 PTPDTLVDPFVYFP-HNNXBMFYSA-N 365.320 2.992 30 40 FFEB CC(=O)N[C@H]1C(=O)N2C(=C(C(C)=O)[C@H]1c1ccccc1)Nc1ccccc12 9644765 NQDZTIURUQKLDQ-RTBURBONSA-N 361.401 2.548 30 40 FFEB N#Cc1ccc(N2C[C@]3(CCN(C(=O)Cc4ccccc4)C3)CC2=O)cc1 96238820 KWTWFGNFJCIXON-JOCHJYFZSA-N 359.429 2.756 30 40 FFEB N#Cc1cccnc1-n1cc(NC(=O)N2CCC(c3ccon3)CC2)cn1 596840574 SXDKZXAUYNMIDJ-UHFFFAOYSA-N 363.381 2.538 30 40 FFEB C=C[C@@H](CC)CC(=O)N1CCOC[C@H]1CNC(=O)C(C)(C)c1ccccc1 1775990283 FJLZNMCGXLQPAA-PKOBYXMFSA-N 372.509 2.910 30 40 FFEB Cc1ccc(S(=O)(=O)/N=C(\N)NCCc2c[nH]c3ccccc23)cc1C 22625289 RCTFLMXBFLOYHK-UHFFFAOYSA-N 370.478 2.620 30 40 FFEB N#Cc1c(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)sc2c1CCC2 69610406 FSFJGJVLISXJBT-LLVKDONJSA-N 355.419 2.689 30 40 FFEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)[C@H]1c1ccccc1 102494879 VBBQJQSFLHGPNM-SELCWUDQSA-N 368.408 2.809 30 40 FFEB Cc1[nH]c(=O)nc(SCC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)c1C#N 32858420 NVGUUXJWEWBKDU-MRXNPFEDSA-N 374.441 2.695 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2cc(OC)ccc2OC)cc1 4901600 BTOQDLACFKKGTC-KRWDZBQOSA-N 369.373 2.578 30 40 FFEB O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(CCO)[C@H]1c1cccc(F)c1 847017 HTBKEUPRVNJJFR-YXBWYFRISA-N 367.376 2.796 30 40 FFEB C#CCN1C(=O)S/C(=C/c2ccc(I)cc2)C1=O 13880786 JIGLBDGDPKXBHA-DHZHZOJOSA-N 369.183 2.961 30 40 FFEB O=C(O)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1 6446703 RCIQQIFYMFSYNT-HVESIFNPSA-N 351.358 2.583 30 40 FFEB COc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2ccc(C)c(C)c2)C1=O 408537993 YFRUOJMEIKIDDD-HNNXBMFYSA-N 365.389 2.914 30 40 FFEB COC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1ccc(OC)cc1 40313014 IRMRLTWRWKBASS-KRWDZBQOSA-N 353.378 2.700 30 40 FFEB biogenic CC1(C)OB(c2ccc3c(C#N)nn([C@@H]4CCCCO4)c3c2)OC1(C)C 1083099253 RKXSBUNKQWBIKK-KRWDZBQOSA-N 353.231 2.906 30 40 FFEB S=C(NC[C@H]1CCCO1)N/N=C/C1=Cc2cc(Cl)ccc2OC1 54279973 CFHDOYNCCPKJKH-VLUPQXHSSA-N 351.859 2.745 30 40 FFEB C=CCN1CCc2cc(-c3cncn3[C@H](C)CN3CCOCC3)ccc21 19719370 OQJFOQOMATVBOK-QGZVFWFLSA-N 352.482 2.992 30 40 FFEB COC(=O)[C@@H]1CCCCN1CC(=O)/C=C1/N(C)c2ccccc2C1(C)C 102462293 OYUDVSPRBFEIOT-DYGKOUCMSA-N 356.466 2.895 30 40 FFEB N#Cc1ccc(N2CCC(C(=O)OCc3ccccc3[N+](=O)[O-])CC2)nc1 22313241 JCIVEUUGJICXFY-UHFFFAOYSA-N 366.377 2.821 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1ccc(C)cc1 102798999 UOEFHZXTULXZKX-GROYHEBESA-N 355.390 2.965 30 40 FFEB COc1ccc(CC/C(O)=N/S(=O)(=O)c2cccc(C#N)c2)cc1F 48601044 PQILKBOKSHAIFW-UHFFFAOYSA-N 362.382 2.984 30 40 FFEB CN1CC[C@@H](COCC2CC2)CC12CN(C(=O)c1cccc(C#N)c1)C2 306135643 OWQSNYPXMGWBNZ-GOSISDBHSA-N 353.466 2.521 30 40 FFEB N#Cc1cc2c(N)c(C(=O)NCc3cccc(Cl)c3)sc2nc1N 20000491 SSGMCVHXYXNBEV-UHFFFAOYSA-N 357.826 2.916 30 40 FFEB C=CCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCc1ccccc1 217437817 WTWRLOYEFDZBLB-UHFFFAOYSA-N 360.435 2.504 30 40 FFEB C[S@@](=O)[C@H]1CCCC[C@@]1(O)CSc1nc2c(cc1C#N)CCCC2 13576428 FWTFALTUGIYPJQ-GXYVPTEVSA-N 364.536 2.976 30 40 FFEB N#CCSc1ccccc1NC(=O)Cn1cnc2sccc2c1=O 7495250 FOJIHAKMABTFFL-UHFFFAOYSA-N 356.432 2.712 30 40 FFEB COc1cccc2cc(C(=O)NC(C)=O)/c(=N/c3ccc(C#N)cc3)oc12 4509589 MVMZSGQTILPJLG-ATJXCDBQSA-N 361.357 2.822 30 40 FFEB C=CCO[C@H]1CN(C(=O)c2ccnc(C(F)(F)F)c2)[C@@H]2CCCO[C@H]12 2055759434 YWDFRSBYJGGWSU-IPYPFGDCSA-N 356.344 2.675 30 40 FFEB COc1ccc(-c2cc(=O)[nH]c(/N=C(/N)Nc3ccccc3OC)n2)cc1 20567570 NEBSKRHFENEKGL-UHFFFAOYSA-N 365.393 2.512 30 40 FFEB Cc1cc(C)c(N/N=C2\C(=O)N(C(N)=S)N=C2c2ccccc2)c(C)c1 101932056 GKQGTGWPEKZQBO-XLNRJJMWSA-N 365.462 2.870 30 40 FFEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1cccc(O)c1 103903252 MXTLZUDRKSZPJU-GHNGSUTGSA-N 367.401 2.850 30 40 FFEB CCCCOC(=O)C(=O)/C(=C\NC(=S)c1cccnc1)C(=O)C=C(C)C 104305326 RPRLHEMDKRUVBX-QINSGFPZSA-N 374.462 2.678 30 40 FFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(Cc2cccs2)CC1 23717321 RKJVRYVTRXOYPA-HNNXBMFYSA-N 355.463 2.731 30 40 FFEB N=C(N)NS(=O)(=O)c1ccc(/N=C\c2ccc(Cl)cc2Cl)cc1 100708452 USMZLZRLPBFQIS-UWVJOHFNSA-N 371.249 2.916 30 40 FFEB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1CCC(=O)Nc1sccc1C#N 45097015 VXTBVLSOOYOISZ-SWLSCSKDSA-N 368.462 2.816 30 40 FFEB Cn1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2Cl)c(=O)n(C)c1=O 12877115 AUHDJSZOUBWMEP-ZZXKWVIFSA-N 373.623 2.940 30 40 FFEB CN(Cc1ccccc1)S(=O)(=O)/N=C(\O)c1ccc2ccccc2n1 48676826 ACHFCRHKGXWDEI-UHFFFAOYSA-N 355.419 2.916 30 40 FFEB COc1cccc(CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 14183748 XVQFXQIEPYJQAH-UHFFFAOYSA-N 364.449 2.594 30 40 FFEB C/C(=N\N=C1/NC(=O)[C@H](CC(=O)O)S1)c1ccc(OCC(C)C)cc1 5461934 NAJLIGAGWHNXGW-YRIIZNAFSA-N 363.439 2.508 30 40 FFEB Cc1cccc(NC(=O)[C@@H]2CC(=O)N/C(=N/N=C/c3ccco3)S2)c1 16977159 PIYYFPYNWFVVPO-XKYMITNMSA-N 356.407 2.538 30 40 FFEB COc1cc(/C=N/NC2=NC(=O)CS2)ccc1OCc1ccccc1 17242275 TVSWOCKDVQOPDU-VXLYETTFSA-N 355.419 2.827 30 40 FFEB Cc1cc(OC/C(O)=N/S(=O)(=O)c2c(C)noc2C)ccc1Cl 84090135 ZIZIJCLVZSLHHQ-UHFFFAOYSA-N 358.803 2.977 30 40 FFEB CCCC(C#N)(CCC)NS(=O)(=O)c1ccc(OCCOC)cc1 95444322 QAPVLYSHCAXCRR-UHFFFAOYSA-N 354.472 2.853 30 40 FFEB Cc1onc(CC(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1C#N 331376251 DXYCLRISOVGDJY-CRAIPNDOSA-N 357.385 2.915 30 40 FFEB C[C@H]1C[C@@H]2O[C@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 2061000778 WYZWZEOGROVVHK-LNHVQRHZSA-N 364.781 2.692 30 40 FFEB N#CC1(C(=O)N2CCC3(CC2)C[C@@H](OCc2cccnc2)CO3)CCCC1 1614940978 WRNVOCZGJFNYAJ-GOSISDBHSA-N 369.465 2.832 30 40 FFEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCO)[C@@H]2c2ccccc2)cc1 104077541 DELUQZGUKFWIAY-SELCWUDQSA-N 351.402 2.799 30 40 FFEB C=CCc1ccc(OCC(=O)NCC(=O)Nc2ccccc2)c(OC)c1 40151949 CPXIFHNRGPSBHX-UHFFFAOYSA-N 354.406 2.557 30 40 FFEB O=C1C(Cl)=C(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 102233270 PRTRWSBDUYXHHG-AWEZNQCLSA-N 372.764 2.747 30 40 FFEB COc1cc(OC)cc(/C(O)=N/S(=O)(=O)c2ccc(C(C)=O)cc2)c1 46929481 ADDHBEAANDEDEG-UHFFFAOYSA-N 363.391 2.600 30 40 FFEB CCCn1nc(C(=O)Nc2ccc(OCC#N)cc2)c2ccccc2c1=O 23150358 VIKUZEAJFOPZSX-UHFFFAOYSA-N 362.389 2.961 30 40 FFEB N#Cc1c(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCC2 102330059 RYXMVXQAXNBIMW-JURCDPSOSA-N 360.435 2.705 30 40 FFEB COc1cc(C#N)ccc1OCC(=O)Nc1ccc(N2CCCC2=O)cc1 7186834 FRHIHKVESIAODS-UHFFFAOYSA-N 365.389 2.711 30 40 FFEB C[C@H](OC(=O)c1cc(Cl)ccc1O)C(=O)NC1(C#N)CCCCC1 7506008 TYJBQAIMENGISX-NSHDSACASA-N 350.802 2.934 30 40 FFEB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2cc(F)ccc2C#N)C1 548337592 GMYKLWIRDDOBSE-GOSISDBHSA-N 358.442 2.700 30 40 FFEB CNC(=S)N/N=C/c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 8091920 GLQKHOJBDUMKSH-VXLYETTFSA-N 374.422 2.610 30 40 FFEB Cc1ccc(C)c(NC(=O)CN(C)C(=O)COc2ccccc2C#N)c1 2637352 CQSZDDJJLUDWAF-UHFFFAOYSA-N 351.406 2.651 30 40 FFEB N#Cc1ccc(N2C[C@H]3CCN(C(=O)c4ccccc4Cl)[C@H]3C2)nc1 1889138997 WZJPAYLNTRQTNH-PBHICJAKSA-N 352.825 2.958 30 40 FFEB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)C=CC(=O)[C@@H]12 4277020 DCGCFQBJRLWZID-RJVLYZLMSA-N 372.031 2.588 30 40 FFEB Nc1nc2n(n1)[C@H](c1cccnc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 18199741 MNVGDXMGHYPCBB-BDJLRTHQSA-N 364.434 2.733 30 40 FFEB COc1ccc(Cn2ncc3cc(B4OC(C)(C)C(C)(C)O4)cnc32)cc1 202309980 FNUAKIDRQNBGSX-UHFFFAOYSA-N 365.242 2.787 30 40 FFEB N#CC1(C(=O)N2CCC[C@]3(CCN(c4cccnc4)C3=O)C2)CCCC1 1614927814 CLJMFHVNELRPSX-FQEVSTJZSA-N 352.438 2.511 30 40 FFEB C#CCn1/c(=N/C(=O)[C@@H]2COc3ccccc3O2)sc2cccc(F)c21 100877875 JIGYCPUAKIJRNL-AYAKEVCGSA-N 368.389 2.742 30 40 FFEB CCC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)N(C(=O)CC)n2cnnc2S1 4518236 VHLMCLISJLRDLV-UHFFFAOYSA-N 373.394 2.515 30 40 FFEB N#CC1(C(=O)NCC(=O)Nc2ccc(Br)cc2)CCCC1 55548928 YEPUPFMFJKIWIU-UHFFFAOYSA-N 350.216 2.588 30 40 FFEB C[C@@H](NC(=O)CON=C1CCC2(CC1)OCCO2)[C@H]1C[C@H]2CC[C@H]1C2 108064902 QQKRUEYSXFGKKG-WBTNSWJXSA-N 350.459 2.617 30 40 FFEB CCc1ccccc1N=C[C@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O 408537253 UTZRNQHYZLDHFX-NZUILWFCSA-N 353.422 2.835 30 40 FFEB Cc1ccc(N2C(=O)[C@@H](/C=N\Cc3ccccc3)C(=O)NC2=S)cc1 408754120 LYAGHVXGKSMLND-DEFALTHMSA-N 351.431 2.630 30 40 FFEB N#CCCN(CCC#N)C(=O)COC(=O)C1(c2ccc(Cl)cc2)CC1 36214138 IIMJQPSHOGNPIE-UHFFFAOYSA-N 359.813 2.571 30 40 FFEB C#CCN(C)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1 12481870 HSEHCWQKIKYAKO-IRXDYDNUSA-N 369.440 2.731 30 40 FFEB biogenic,in-vitro C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)CF 17148529 MYHOAFKYKANCBW-IJKQGUKSSA-N 364.457 2.759 30 40 FFEB CCNC(=S)N/N=C/c1cc(C)n(-c2ccccc2C(=O)OC)c1C 6026498 HERYWFUCOOUELP-RGVLZGJSSA-N 358.467 2.699 30 40 FFEB N#CC1(C(=O)N2CCO[C@@H]3C[C@@H](COCc4cccnc4)C[C@@H]32)CCCC1 1565554456 RQDUREFSTLKBQL-GBESFXJTSA-N 369.465 2.688 30 40 FFEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N/Nc1ccc([N+](=O)[O-])cc1 100006055 POFXPSZHMIWPNR-OBGWFSINSA-N 368.309 2.694 30 40 FFEB N#CCCN(CCC#N)C(=O)COC(=O)CCSc1ccc(F)cc1 21229589 QTUVNPNMULXBLL-UHFFFAOYSA-N 363.414 2.507 30 40 FFEB CC(=O)c1cc2c(N)c(C(=O)N(CCC#N)CCC#N)sc2nc1C 32929445 SLDWWPIRMRMXDR-UHFFFAOYSA-N 355.423 2.659 30 40 FFEB COC(CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(Cl)cc1Cl)OC 813462 IURHACWLYWHDPD-CQSZACIVSA-N 374.220 2.897 30 40 FFEB N#Cc1cccc(OCCN2CCC(C(=O)Nc3ccccn3)CC2)c1 52829346 WQRSSDNMAGVQSI-UHFFFAOYSA-N 350.422 2.683 30 40 FFEB O=C(O[C@H]1CN2CCC1CC2)[C@](O)(C#Cc1ccccc1)c1ccccc1 1640676 IHKNDYGDKUBCFR-GMAHTHKFSA-N 361.441 2.563 30 40 FFEB Cc1cc(C)c(C#N)c(SCC(=O)N(CCC(N)=O)c2ccccc2)n1 12542622 BLMSGAXVFDOWEH-UHFFFAOYSA-N 368.462 2.571 30 40 FFEB C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)c1 55273944 POPCEZOEVQAZIW-UHFFFAOYSA-N 368.867 2.642 30 40 FFEB C[C@H](C(=O)Nc1ccc(NC(=O)C2(C#N)CCCC2)cc1)n1cncn1 25296567 QBWWNDMHUJDYPH-CYBMUJFWSA-N 352.398 2.500 30 40 FFEB O=C1C[C@@H](c2cc3c(cc2Br)OCO3)C2=C(CCCC2=O)N1 4100982 SJDVXCZQYJPNDB-VIFPVBQESA-N 364.195 2.788 30 40 FFEB N/C(=N\OC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1 4523752 ONJLVMSVUZGMTD-UHFFFAOYSA-N 364.701 2.634 30 40 FFEB CC(C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 4888116 CCAYJYCNLMYTHL-RBSFLKMASA-N 368.437 2.802 30 40 FFEB Nc1nc2n(n1)[C@@H](c1cccnc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 18199739 MNVGDXMGHYPCBB-ZBEGNZNMSA-N 364.434 2.733 30 40 FFEB C=CCc1cc(/C=N\Nc2nc(C)cc(C)n2)cc(OC)c1OCC(=O)O 408806135 AWVNBKJDDAEASR-JMIUGGIZSA-N 370.409 2.740 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccccc1OC 66088161 NFKOJONSOIZGFW-INIZCTEOSA-N 357.362 2.513 30 40 FFEB N#Cc1cc([N+](=O)[O-])cn(Cc2cccc(OCC(F)(F)F)c2)c1=O 48365948 SRHHDTDJZZHMAK-UHFFFAOYSA-N 353.256 2.618 30 40 FFEB C[C@@H]1C[C@@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 253987428 WYZWZEOGROVVHK-ZWZTZDBGSA-N 364.781 2.692 30 40 FFEB CC(C)(CO)[C@@H](NC[C@H](O)COc1ccccc1C#N)c1cccs1 599420160 CFCRNXLLGTUDHZ-YJBOKZPZSA-N 360.479 2.709 30 40 FFEB Cc1ccc(N2/C(=N/C(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1 16741144 BRNCXVAKUDOUNM-WTIYMYMHSA-N 366.508 2.561 30 40 FFEB CCC(CC)C(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 11907344 CKUCNCSPEPZPDZ-PLDZJGDPSA-N 366.508 2.724 30 40 FFEB N=C1S/C(=C\c2ccc(N3CCOCC3)o2)C(=O)[C@@H]1c1nccs1 108924670 GUJVAEREAXSJGV-XDHJVYJJSA-N 361.448 2.991 30 40 FFEB Cc1cc(NC(=O)CNc2ccc(OCC(F)(F)F)c(C#N)c2)no1 55850021 CPXNOPFGZMSTGR-UHFFFAOYSA-N 354.288 2.846 30 40 FFEB Cc1sc(NC(=O)COC(=O)c2n[nH]c3ccccc23)c(C#N)c1C 5827868 AIWUPZBDWIDVPT-UHFFFAOYSA-N 354.391 2.908 30 40 FFEB COc1cccc(N2CCN(c3nn(-c4ccc(C)cc4)nc3C#N)CC2)c1 8694299 OJZFBWCAPXQRII-UHFFFAOYSA-N 374.448 2.783 30 40 FFEB CC1(C)OB(C2=CCN(C(=O)N3CCC[C@](C)(O)CC3)CC2)OC1(C)C 1776007671 SLMCHWQJNCCGPV-IBGZPJMESA-N 364.295 2.607 30 40 FFEB CCOC(=O)c1ccc(-c2ccc(/C=N/c3c(C)[nH]c(=O)[nH]c3=O)o2)cc1 6439383 VHOUKCWALMJFRN-KEBDBYFISA-N 367.361 2.559 30 40 FFEB CC(=O)N1CCc2c(sc(NC(=O)c3ccc(C#N)cc3)c2C#N)C1 4275188 OJBNANFZAGEHOW-UHFFFAOYSA-N 350.403 2.648 30 40 FFEB C=CCn1c(=O)c(C(=O)OCC)c(O)c2cnc(-c3ccccc3)nc21 100227219 CEEHFWSNEHHQPJ-UHFFFAOYSA-N 351.362 2.527 30 40 FFEB N#Cc1nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn2c1N 1036825 PKAWCURQHRTMDI-UHFFFAOYSA-N 364.372 2.855 30 40 FFEB C#Cc1cccc(NC(=O)CN(C)C(=O)Nc2ccccc2C(=O)OC)c1 56334045 WRGNSJIAPUTHDF-UHFFFAOYSA-N 365.389 2.557 30 40 FFEB C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](CC)c2ccccc2)cc1 26076761 WFGLJGXOYLTXDU-MRXNPFEDSA-N 370.474 2.522 30 40 FFEB C/C(=N/N=C1/NC(=O)[C@H](CC(=O)Nc2ccccc2C)S1)c1ccco1 5520839 SGFNMJFWGNMZSQ-RANIVTSPSA-N 370.434 2.928 30 40 FFEB CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccc(C#N)cc2)n2ncnc2N1 4704186 UTHTVWRETJNXOD-IBGZPJMESA-N 370.416 2.755 30 40 FFEB CCNC(=O)COc1ccc(/C=C/C(=O)c2cccc(O)c2)cc1OC 8322465 DCGMIQJEXPKQRF-VQHVLOKHSA-N 355.390 2.812 30 40 FFEB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCC#N)cc2)C1=O 409019970 LDMOWCHBBXCKGD-IWQAVIMZSA-N 360.391 2.577 30 40 FFEB CCCCCCCCCCCC[S@@](=O)[C@H]1CS(=O)(=O)C[C@@H]1O 95870232 SYBGQUOWIDTOOE-QYWGDWMGSA-N 352.562 2.814 30 40 FFEB CSc1nc(C2CC2)cc(N2CCN(c3cc(C#N)ccn3)CC2)n1 1888860507 PVQDZFATLDVNBZ-UHFFFAOYSA-N 352.467 2.669 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1ccc(OC)cc1 102884331 GRPNQCPMUKWHDM-HVESIFNPSA-N 371.389 2.665 30 40 FFEB N#Cc1ccccc1CSCCNC(=O)CN1CCc2ccccc21 52872887 RGDUMKLMGFXQFC-UHFFFAOYSA-N 351.475 2.970 30 40 FFEB O=C(C[N+]1(CCc2ccccc2)CCOCC1)c1cccc([N+](=O)[O-])c1 1594048 KIMYXEYBTLSQDY-UHFFFAOYSA-N 355.414 2.867 30 40 FFEB C=CCOC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)c2c(O)n[nH]c2C[C@]1(C)O 4908730 LUAULMSEBPVYAT-JOQOYGCGSA-N 362.813 2.553 30 40 FFEB Cc1cc(N2C[C@@H](/C(O)=N/c3ncn[nH]3)CC2=O)ccc1Br 23140602 YOTZLXGOVFROGA-VIFPVBQESA-N 364.203 2.517 30 40 FFEB C[C@@H]1C[C@H]2[C@@H]3CC[C@@]4(OCC4=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 118936685 DASNFNKDVQBNIO-DZDRLISQSA-N 356.462 2.849 30 40 FFEB C=CCn1c(SCC(=O)N2CCCC2=O)nnc1-c1cccc(C)c1 3400752 NPZGCISWGALRGC-UHFFFAOYSA-N 356.451 2.681 30 40 FFEB C=CCNC(=O)CN1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 83864129 XQFNNWCROIQYLM-UHFFFAOYSA-N 369.431 2.904 30 40 FFEB C=CCOc1ccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 408630857 XCKHEFFAAJSNFG-UHFFFAOYSA-N 360.435 2.656 30 40 FFEB C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1sccc1C1CC1 610704941 IWKIOAVUZTWEHW-GFCCVEGCSA-N 353.451 2.638 30 40 FFEB C[C@@H]1c2c(sc(NC(=O)C3(S(C)(=O)=O)CC3)c2C#N)CC[C@H]1C 297829585 MNWATPLYBXNGJK-ZJUUUORDSA-N 352.481 2.821 30 40 FFEB COc1cc(N(CCC#N)CCC#N)ccc1/C=C1\SC(=S)NC1=O 1652383 UFTPGSRNSYAVIA-GDNBJRDFSA-N 372.475 2.818 30 40 FFEB N#Cc1c(NC(=O)CCS(=O)(=O)c2ccccc2)sc2c1CCC2 4325512 UXTZHASAHBNKTP-UHFFFAOYSA-N 360.460 2.911 30 40 FFEB C#CC(CC)(CC)NC(=O)CSc1nnc(-c2cccc(OC)c2)n1C 18975973 ICFIEJSWKHPTGJ-UHFFFAOYSA-N 372.494 2.891 30 40 FFEB CC[C@@](C)(NC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)OC 58210381 QWDOBRMTDMNQFG-LJQANCHMSA-N 356.378 2.802 30 40 FFEB Cc1cc(-c2nnc(S)n2/N=C/c2ccc(Br)cc2)[nH]n1 18067472 YCIDJVCQERYXNC-VIZOYTHASA-N 363.244 2.910 30 40 FFEB O=C1CSC(=S)N1/N=C/c1ccc(Br)c([N+](=O)[O-])c1 409214884 YQGLCGRRNHKRLY-UUILKARUSA-N 360.214 2.552 30 40 FFEB C#CCOc1ccc(/C=C2/NC(=O)N(CC=C)C2=O)cc1Br 409145797 QYWRDPVAOCMCMY-JLHYYAGUSA-N 361.195 2.540 30 40 FFEB Cc1ccc(-n2nnnc2/C(=C/N(C)C)C(=O)C(Cl)(Cl)Cl)cc1 6215367 IDGSHEUFNYHKIF-DHZHZOJOSA-N 374.659 2.813 30 40 FFEB COc1ccc(/C=N/N=C2\NC(=O)[C@H](CC(=O)c3ccccc3)S2)cc1 4304730 IJLPBKPYUPZXPA-RONKMWSCSA-N 367.430 2.890 30 40 FFEB COC1(OC)N=C(N)[C@@]2(C#N)[C@@H](c3cccc(Oc4ccccc4)c3)[C@@]12C#N 19858583 XVNXFLCFBRUWDE-MISYRCLQSA-N 374.400 2.913 30 40 FFEB N#Cc1ccc(N2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)cn1 1775975224 CRHIYHGPNPKYFZ-UHFFFAOYSA-N 360.396 2.876 30 40 FFEB CN(C)c1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)c2ccccc2n1 102229363 WLWWNNHMOWKEOM-OAHLLOKOSA-N 359.389 2.657 30 40 FFEB CCCC1=NN(C(=O)COc2ccc(C#N)cc2)[C@@](O)(C(F)(F)F)C1 814222 JXNZXUWZNGCOSV-HNNXBMFYSA-N 355.316 2.576 30 40 FFEB CCCc1nnc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)s1 24014500 NBYUMHOQLZPTJC-UHFFFAOYSA-N 356.455 2.612 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 100301676 PYFMQUCYIDMEMK-NDARBJHHSA-N 371.780 2.635 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)NC(=O)CS2 27391268 OLSQIAVKSKPBAN-UHFFFAOYSA-N 367.430 2.899 30 40 FFEB C[C@H]1CN(C(=O)CSc2nc3ccccc3n2CCC#N)C[C@@H](C)O1 12633213 CVPXZRNJHSPMER-OKILXGFUSA-N 358.467 2.678 30 40 FFEB CCC(=O)N1CCN(c2cccc3s/c(=N\N=C(/C)CC)[nH]c23)CC1 57327971 RXPQSHHKWMXNBD-DEDYPNTBSA-N 359.499 2.975 30 40 FFEB C=CCN(C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)C1CC1 95459339 XJTLCHBUGZBLMG-UHFFFAOYSA-N 367.426 2.854 30 40 FFEB C=CCNc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCCC1 217450574 UKXKKEGRFNFWBF-UHFFFAOYSA-N 352.456 2.984 30 40 FFEB N#C[C@@]1(CO)COCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 253614392 XLBGAJAZHCIDHP-CYBMUJFWSA-N 368.277 2.811 30 40 FFEB COc1cc(C#N)ccc1CN1[C@@H]2C[C@H]3CC[C@]2(CS1(=O)=O)C3(C)C 611542277 GHDBTCLFPXXZTJ-SZVBFZGTSA-N 360.479 2.907 30 40 FFEB C=CCOc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 55714371 LXRHRTVFSQJGGK-UHFFFAOYSA-N 360.435 2.754 30 40 FFEB O=C(CO/N=C/c1ccco1)Nc1ccc(I)cc1 9451841 IDXCJJPSYGIDCC-OVCLIPMQSA-N 370.146 2.873 30 40 FFEB N#Cc1ccccc1N1C(=O)C[C@@H](Sc2ccccc2C(=O)O)C1=O 19878566 FNEUGFANTVALRM-OAHLLOKOSA-N 352.371 2.681 30 40 FFEB CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C[C@]12O[C@@H]1[C@@H](O)C(CO)=C[C@@H]2O 253388187 VBZYLQJSPMDPOO-DNUTWTKLSA-N 362.510 2.967 30 40 FFEB biogenic,in-vitro CN1CCN(Cc2c(O)ccc3c2O/C(=C\c2cccs2)C3=O)CC1 20503737 QZTQFTBLNVUJEF-BOPFTXTBSA-N 356.447 2.817 30 40 FFEB CN1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccccc2F)C3=O)CC1 22575487 UOBKEDSHMABDDT-UNOMPAQXSA-N 368.408 2.895 30 40 FFEB O=[N+]([O-])c1ccc(O)c(/C=N\CCC/N=C\c2cc([N+](=O)[O-])ccc2O)c1 104094490 AHMDBYWREAVCIQ-BJPQZVBLSA-N 372.337 2.842 30 40 FFEB CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 58183807 GFKMUKUKYBFSAS-UHFFFAOYSA-N 360.826 2.909 30 40 FFEB C=CCn1c(SCC(=O)NC(C)C)nc2ccc(Cl)cc2c1=O 3369848 PLXKLIBUKHDVIX-UHFFFAOYSA-N 351.859 2.853 30 40 FFEB CCCCCCCCn1c(N/N=C(/C)CC)nc2c1c(=O)[nH]c(=O)n2C 100167877 IJDJUCSBIJGTGT-BKUYFWCQSA-N 362.478 2.982 30 40 FFEB N#Cc1ccc(NC(=O)COCC(=O)N[C@H]2CCCc3ccccc32)cc1 4682621 ILRYXPALJSCLSG-IBGZPJMESA-N 363.417 2.707 30 40 FFEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@@H]1/C=N\Cc1ccccc1 408538239 ZLDWEVVIUJVFGO-UWOKGBPVSA-N 355.781 2.810 30 40 FFEB COc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3cccc(C)c3)C2=O)cc1 408533301 JWJNOSMOZTZDNS-INIZCTEOSA-N 351.362 2.605 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)cc1 5343034 PBVCVMQEAKVTMG-KRWDZBQOSA-N 353.374 2.617 30 40 FFEB biogenic C=CCN1CCC[C@@]12CCCN(S(=O)(=O)c1cc(F)cc(F)c1)C2 96214840 UEVZGRRGTBKLFS-KRWDZBQOSA-N 356.438 2.770 30 40 FFEB N#Cc1ccc(N2CCC[C@@H](COc3ncc(Br)cn3)C2)nc1 1775995903 MUOCPYSUBBFGSO-CYBMUJFWSA-N 374.242 2.801 30 40 FFEB CCCOc1ccc(/C=N/Nc2cc(-n3cc(C)cn3)ncn2)c(O)c1 4595730 MZCPXZXDCLBORA-UFFVCSGVSA-N 352.398 2.911 30 40 FFEB COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C[C@H](C)O)cc1 5800238 HTPPNAZXDXYEOT-SCLBCKFNSA-N 367.401 2.654 30 40 FFEB CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 101301146 ZYKOEFYZHAJQSR-BREGNPSQSA-N 372.899 2.597 30 40 FFEB CCOCCOCc1cccc(CNS(=O)(=O)c2cccc(C#N)c2)c1 32471095 KZVBQQGSDHGJJW-UHFFFAOYSA-N 374.462 2.590 30 40 FFEB CCN(CC)S(=O)(=O)c1ccc(N/N=C2/CCc3ccccc32)nc1 33499003 PSMJGXFSNBQLGW-JZJYNLBNSA-N 358.467 2.875 30 40 FFEB N#Cc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 7658154 KWBDIIIGGNWYKT-UHFFFAOYSA-N 353.334 2.522 30 40 FFEB COc1ccc([C@@H](CN/C(N)=N/Cc2ccco2)N2CCCCC2)cc1 58171475 ODDSUPTXDNUFPO-LJQANCHMSA-N 356.470 2.920 30 40 FFEB C=CCNC(=O)CN[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 16695465 CBCJJCWHJSLCIM-FQEVSTJZSA-N 354.450 2.879 30 40 FFEB CC(C)(C)c1nc(CN2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)cs1 175337504 BTYPIFULRATKJZ-UHFFFAOYSA-N 357.483 2.598 30 40 FFEB CC(=O)/N=C1/NC(=O)/C(=C/c2ccc(OC(=O)c3ccco3)cc2)S1 75278395 RWFDANYMTMYZFT-ZROIWOOFSA-N 356.359 2.605 30 40 FFEB N#Cc1nc([C@H]2C[C@H]2c2ccc(F)cc2)oc1N1CCC(C(N)=O)CC1 1775975094 DNYFPFKQEKPZRA-GJZGRUSLSA-N 354.385 2.658 30 40 FFEB O=C(Cn1cncn1)NC1(C#Cc2cnc3ccccc3c2)CCCCC1 12133348 HJEKUWPCSMIPQH-UHFFFAOYSA-N 359.433 2.697 30 40 FFEB COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCO)cc1 6621983 JVTRJOUWKPXSKU-SFHVURJKSA-N 367.401 2.574 30 40 FFEB C#CCn1/c(=N/C(=O)[C@H]2COc3ccccc3O2)sc2cccc(C)c21 100910433 LMLBYOXOHJSQNU-MODMUFLJSA-N 364.426 2.912 30 40 FFEB N#Cc1cc([N+](=O)[O-])ccc1NCCN=c1[nH]c(S)nc2ccccc12 575615837 ILJLHJNHXWZBGU-UHFFFAOYSA-N 366.406 2.644 30 40 FFEB COc1c2c(cc3c1[C@@H](C/C(=N/O)c1ccccc1O)N(C)CC3)OCO2 20113950 CIKFNCZXZHSFRE-XWCAUFEOSA-N 370.405 2.927 30 40 FFEB biogenic C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 92573015 OLCXDUKDSMZQHV-PBHICJAKSA-N 363.417 2.527 30 40 FFEB CCOc1cc(C#N)ccc1OCC(=O)Nc1cccnc1-n1cccn1 23170689 PXNQWYHGRIIJCA-UHFFFAOYSA-N 363.377 2.555 30 40 FFEB C=CCOc1ccc([C@H]2C3=C(Nc4nnnn42)c2ccccc2C3=O)cc1 12349204 XVUUPFZRHFFUPB-SFHVURJKSA-N 357.373 2.860 30 40 FFEB N#Cc1ccccc1NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 3273102 MYZIHAKARWXYJO-UHFFFAOYSA-N 363.398 2.859 30 40 FFEB C[C@H](OC[C@@H]1CCCCO1)/C(O)=N/S(=O)(=O)c1cc(F)ccc1F 64099585 RIKMGONCHJSFCV-JQWIXIFHSA-N 363.382 2.584 30 40 FFEB COc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3cccc(C)c3)C2=O)c1 408531978 HRNHNOBCUKORMH-MRXNPFEDSA-N 351.362 2.605 30 40 FFEB COc1c(OC(C)=O)ccc(C=C2C(=O)c3ccccc3C2=O)c1[N+](=O)[O-] 408718032 CXWVPSJCTIJXDD-UHFFFAOYSA-N 367.313 2.991 30 40 FFEB COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@H](C(F)(F)F)[C@H]1C 527448164 FYYOFNWORFUDNL-PWSUYJOCSA-N 369.343 2.695 30 40 FFEB CCN(CC)c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1 222319735 ZJFAFNLKQZZYEM-DIUNLTJWSA-N 363.461 2.920 30 40 FFEB COc1cc(/C=N/Nc2ccccc2[N+](=O)[O-])cc(OC)c1OC(C)=O 5163148 CGFFAWMZYPKVLU-VCHYOVAHSA-N 359.338 2.983 30 40 FFEB Cc1cccc(/C=N/N2CC(=O)N3Cc4[nH]c5ccccc5c4C[C@@H]3C2=O)c1 4044806 BTPPYTMHOKEMNH-JGHSGIRGSA-N 372.428 2.606 30 40 FFEB biogenic COc1cc2c(cc1OC)CN(CCC(=O)Nc1ccccc1C#N)CC2 12748222 VTTSAGIBNNYKMH-UHFFFAOYSA-N 365.433 2.962 30 40 FFEB N#CCCNS(=O)(=O)c1cccc(C(=O)OC/C=C/c2ccccc2)c1 12786414 CSSUJDWXVQLPBH-WEVVVXLNSA-N 370.430 2.749 30 40 FFEB CSc1nc(C2CC2)cc(C(=O)Nc2ccc(C(N)=O)cc2)c1C#N 12995095 MNNVFKWHJJWXSD-UHFFFAOYSA-N 352.419 2.904 30 40 FFEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(N2CCOCC2)o1 409035310 JNVVGRRQUNRNRJ-SCDVKCJHSA-N 363.233 2.830 30 40 FFEB CC(=O)N[C@@H]1C(=O)N2C(=C(C(C)=O)[C@@H]1c1ccccc1)Nc1ccccc12 9644777 NQDZTIURUQKLDQ-OALUTQOASA-N 361.401 2.548 30 40 FFEB COc1ccc(CNC(=O)NCC#CCN2CCc3ccccc3C2)cc1 75165066 IEYPFVQUPMSJHY-UHFFFAOYSA-N 363.461 2.556 30 40 FFEB COc1ccccc1-c1nc(C#N)c(N2CC[C@@H](c3nc(C)no3)C2)o1 585152248 GNXKQVFCLCVDGZ-GFCCVEGCSA-N 351.366 2.907 30 40 FFEB N#C[C@H]1[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN21 16033753 XWNJGDKDMIFFFC-MTQWCTHYSA-N 355.397 2.721 30 40 FFEB O=C(O)C[C@@H]1S/C(=N\N=C/c2ccccc2)N(c2ccc(O)cc2)C1=O 13154223 ZFXSHIOAVVLRMG-WMXLLWMXSA-N 369.402 2.705 30 40 FFEB Cc1ccc([C@@H]2C3=C(Nc4[nH]c(=O)[nH]c(=O)c42)c2ccccc2C3=O)cc1 780025 DMDWLIHJUHOUNE-CQSZACIVSA-N 357.369 2.537 30 40 FFEB Cc1ccc(N2/C(=N\C(=O)C(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 101305528 YBLXOLFPFRBRAR-QJGXAYKQSA-N 366.508 2.643 30 40 FFEB CCOC(=O)[C@](NC(=O)Nc1ccc(C#N)cc1)(OCC)C(F)(F)F 2317202 DHQZZZLBNJNOGV-AWEZNQCLSA-N 359.304 2.538 30 40 FFEB CCCCCCCCCNC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O 97972059 XOTZZVJEOJNKBN-KRWDZBQOSA-N 359.470 2.994 30 40 FFEB biogenic N#Cc1ccc2nc(CO[C@H]3CN(Cc4nccs4)C[C@H]3F)[nH]c2c1 96112292 AYTJKGXNWRMKGC-DOMZBBRYSA-N 357.414 2.630 30 40 FFEB biogenic,in-vitro Cc1nc2ccc(OCC3CCN(c4ccc(C#N)nc4)CC3)nn2c1C 1888876266 ZKZGWNVBFBJMKB-UHFFFAOYSA-N 362.437 2.908 30 40 FFEB Cc1[nH]c2ccccc2c1C(=O)/C(O)=N/c1ncn(Cc2ccccn2)n1 58218105 RGWWPCDTVLWEGE-UHFFFAOYSA-N 360.377 2.982 30 40 FFEB C#CCN(Cc1ccc(C)cc1)C(=O)NCc1ccc(OCCOC)nc1 58342365 PMTZTMNAMJBPIP-UHFFFAOYSA-N 367.449 2.760 30 40 FFEB N#Cc1ccc(CN2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)cc1 14182078 CSIFZNVLCIJCGH-UHFFFAOYSA-N 371.444 2.702 30 40 FFEB Cc1ccc(NC(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)cc1F 7564399 LCUOVHXWADNKLX-UHFFFAOYSA-N 369.352 2.782 30 40 FFEB COC(=O)Cn1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c2ccccc21 408751120 WSPOGDDTZLQZAE-UWVJOHFNSA-N 353.338 2.564 30 40 FFEB CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 40134672 WOEWADTZTWXHJV-LVHCJKAXSA-N 361.467 2.794 30 40 FFEB CCCCCCCn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C 3062433 XIRCNUHRVZKIKQ-UHFFFAOYSA-N 361.490 2.774 30 40 FFEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1c(C)cccc1C 101309894 KRSNXWFYRSSFDA-RUIRWZRLSA-N 366.508 2.705 30 40 FFEB C[C@@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)N1CCCc2ccccc21 12808330 TVRYHIAZAGSUCM-GFCCVEGCSA-N 363.446 2.867 30 40 FFEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1C 5516224 DLUWRMPUTQEMSV-OJVXUPTESA-N 372.899 2.660 30 40 FFEB COc1ccc(-c2nc(C#N)c(NCCCn3ccnc3)o2)cc1OC 5996150 RAAAMPCMYOBGGM-UHFFFAOYSA-N 353.382 2.929 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(OC)cc2OC)cc1 16994703 DSGQDCRIXYBOAH-KRWDZBQOSA-N 369.373 2.578 30 40 FFEB biogenic CN1CC[C@H](COCC2CC2)CC12CN(C(=O)c1cccc(C#N)c1)C2 306135644 OWQSNYPXMGWBNZ-SFHVURJKSA-N 353.466 2.521 30 40 FFEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(Br)o1)[C@H]1C=C[C@H]2C12CC2 408718699 YODMTINETAXOQQ-ISXLHUIHSA-N 361.195 2.573 30 40 FFEB C=C1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)/C(C)=C\C)C[C@@]2(C)OC1=CC2=O 72320070 BITFKDUCQOBZDL-MNQHAYIRSA-N 358.390 2.554 30 40 FFEB biogenic,in-vitro CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(C#N)COC 225642844 HBYFUTQLFZHCFK-HZSPNIEDSA-N 358.257 2.506 30 40 FFEB N#Cc1ccnc(C(=O)N=c2[nH]nc(C34CC5CC(CC(C5)C3)C4)s2)c1 585682707 RWBVABZGROAWMA-UHFFFAOYSA-N 365.462 2.947 30 40 FFEB COc1cc(OC)c(OC)cc1/C=N/N1CCN(Cc2ccccc2)CC1 19771327 ISEYRRUPUMHJJR-PXLXIMEGSA-N 369.465 2.864 30 40 FFEB C=CC[C@@H]1N(c2ccc(F)c(Cl)c2)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]12O3 169620172 WQPJQZYZOVZCCA-FQRJBHLQSA-N 363.772 2.795 30 40 FFEB NC1=C(c2nc3ccccc3s2)C(=O)CN1/N=C/c1ccccc1O 13687013 PLOFZKOPRUVCAR-AWQFTUOYSA-N 350.403 2.548 30 40 FFEB N#Cc1c(COC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cn2ccccc12 62403563 KUOKCQXSDDZJQT-UHFFFAOYSA-N 354.297 2.797 30 40 FFEB N#Cc1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2Cl)c1=O 5152439 XCNPDCKXBFXQPL-UHFFFAOYSA-N 362.776 2.583 30 40 FFEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)[C@@H]1c1ccco1 4427126 WHVCJBLUQCCOBF-HVESIFNPSA-N 372.396 2.792 30 40 FFEB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2ccc(C#N)cc2)c1 5672202 CMYUJOZOMZEFRL-UHFFFAOYSA-N 372.446 2.946 30 40 FFEB C=C(C)COc1ccc([C@H]2CC(=O)NC3=C2C(=O)OC3(C)C)cc1OC 72324599 CIGJVTHOCYHBJF-CYBMUJFWSA-N 357.406 2.843 30 40 FFEB biogenic C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(N)cc(N)n1 95953364 BLGWSZISUHDCFQ-JTQLQIEISA-N 374.495 2.766 30 40 FFEB N=c1nn[nH]n1/N=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12 408720086 XKKNBMQNMDDBHU-UKWGHVSLSA-N 351.801 2.624 30 40 FFEB N#C[C@@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 218502357 PAXUACGNGUBZNW-ULQDDVLXSA-N 365.813 2.921 30 40 FFEB CCOc1ccccc1/C=C1\SC(N2CCN(CCC#N)CC2)=NC1=O 13388765 NIZIYGZZZLTFRS-VKAVYKQESA-N 370.478 2.587 30 40 FFEB O=C(O)C[C@@H]1S/C(=N\C(=O)c2ccccc2)N(c2ccccc2)C1=O 16673000 TVVZHFNYVXWMMI-JGWKNBOWSA-N 354.387 2.806 30 40 FFEB CCN1C(=O)[C@](O)(CC(=O)/C=C/c2ccc3c(c2)OCO3)c2ccccc21 1133972 MVYYHXDGYFFMIB-OEAKIKGJSA-N 365.385 2.642 30 40 FFEB C=CCNS(=O)(=O)c1cc(C(=O)Nc2nc(C)cs2)ccc1Cl 24924901 WXHCPVXIHNNLDM-UHFFFAOYSA-N 371.871 2.822 30 40 FFEB COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(N(C)C)nc1 36390722 SCBWPVMCMDQETK-UHFFFAOYSA-N 354.410 2.826 30 40 FFEB COc1ccc(/C=N/Nn2cncn2)cc1COc1ccc(F)cc1F 5092606 MHLMKGFPBIHKCE-ODCIPOBUSA-N 359.336 2.722 30 40 FFEB Cc1ccc(S(=O)(=O)N2CCC(Nc3ccc(C#N)cn3)CC2)cc1 14326875 IQFPTDKQZKIGSD-UHFFFAOYSA-N 356.451 2.527 30 40 FFEB C=CCn1c(C)nnc1SCc1nc(N)nc(Nc2ccccc2)n1 7371517 PPKPXRFYCLMLNY-UHFFFAOYSA-N 354.443 2.576 30 40 FFEB COc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(Br)cc1O 409122159 ZZVZCGHDXLYCRW-FRKPEAEDSA-N 367.159 2.913 30 40 FFEB C#CC[C@@H](CC(F)(F)F)NC(=O)Cc1nnc(-c2ccccc2OC)o1 585117878 QLTXSZMZSWGVLJ-NSHDSACASA-N 367.327 2.748 30 40 FFEB CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccccn2)cc1 808062 LUWCOMWXHQHAPJ-QGZVFWFLSA-N 366.373 2.747 30 40 FFEB CN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1ccc(C#N)c(Cl)c1 3354619 CCOXEAFBNXTJOA-UHFFFAOYSA-N 374.803 2.860 30 40 FFEB N#CCCN(CCC#N)Cn1nc(-c2ccc3c(c2)OCO3)oc1=S 14086590 HDIHAJNVJNEMTA-UHFFFAOYSA-N 357.395 2.688 30 40 FFEB N#Cc1ccccc1CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O 7334565 OLTNWTIOLFIQNX-UHFFFAOYSA-N 363.417 2.818 30 40 FFEB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CN1CCSCC1 61992852 ISRUYQDZFXREJX-GJWPJNNNSA-N 351.512 2.562 30 40 FFEB biogenic CCS[C@H]1C(C(=O)c2ccccc2Cl)=C(CC(=O)O)C(=O)N1C 62716282 RWPDDZVGZQBNQM-INIZCTEOSA-N 353.827 2.845 30 40 FFEB C=CCOc1ccc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)cc1OC 96193572 OWALOKVTFZXGHW-UHFFFAOYSA-N 370.409 2.914 30 40 FFEB Cc1occc1C(=O)N1Cc2cccn2C[C@H](Oc2ccc(C#N)cn2)C1 248055049 YIXSLEBHLRSQSZ-KRWDZBQOSA-N 362.389 2.760 30 40 FFEB O=C(Nc1ccc(S(=O)(=O)/N=C2/CCCN2)cc1)c1ccc(F)cc1 35271287 RXXAWKQOHMGKIF-UHFFFAOYSA-N 361.398 2.549 30 40 FFEB C[C@H](CCc1ccccc1)/N=C(\O)Cn1c(=O)[nH]c2ccccc2c1=O 2951929 IUBLTNHEWGKKGI-CQSZACIVSA-N 351.406 2.668 30 40 FFEB O=C1CC(c2ccccc2)CC(=O)C1=CNn1cnc2ccccc2c1=O 643868 BIRSBPFNNMUJAP-UHFFFAOYSA-N 359.385 2.540 30 40 FFEB COc1ccc(/C=C/C(=O)c2cccc(NS(C)(=O)=O)c2)cc1OC 58180659 HIUYTGJMHCVBNU-VQHVLOKHSA-N 361.419 2.971 30 40 FFEB Cc1cccc(N2/C(=N\C(=O)CC(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 101312470 NOCJXLYVJCCLQX-UICBKRPASA-N 366.508 2.643 30 40 FFEB Cc1ccc(-n2nnnc2S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c(C)c1 6509115 SVYAIRAGAJJYMG-RDTXWAMCSA-N 372.498 2.814 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccc(OC)c1 6786396 BSLCEFCLOBBUJY-INIZCTEOSA-N 357.362 2.513 30 40 FFEB C=CCN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 9387799 WFIJDVLWOROHMT-UHFFFAOYSA-N 364.492 2.827 30 40 FFEB C/C(=N\Nc1nc(N2CCCC2)nc(N2CCCC2)n1)c1ccccc1 408727504 QBVKMXGEQCXWIR-HZHRSRAPSA-N 351.458 2.908 30 40 FFEB CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(OC)cc2)C1=O 409079702 LWJPGVWHEWELPV-RAXLEYEMSA-N 361.419 2.653 30 40 FFEB N#Cc1cccc(N2CCOC[C@@]3(CCCN(c4nncs4)C3)C2)c1 96076762 HZDAQCGNHIEGSB-SFHVURJKSA-N 355.467 2.533 30 40 FFEB N#Cc1cccc(N2CCOC[C@@]3(CCCN(Cc4ccco4)C3)C2)n1 96229099 BOCIDTCDNXPWAP-HXUWFJFHSA-N 352.438 2.665 30 40 FFEB N#C[C@@H]1CN(C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)CCO1 609283082 PHQXGBLUTFQBKA-LJQANCHMSA-N 363.417 2.722 30 40 FFEB CCc1ccc(S(=O)(=O)Nc2ccccc2-n2ncc(C#N)c2N)s1 48354265 XRHMDECVQFMFNO-UHFFFAOYSA-N 373.463 2.751 30 40 FFEB C#Cc1cccc(NC(=O)C(C)(C)N2CCN(C(=O)OC(C)(C)C)CC2)c1 95398642 QBUSSQNUDLZWCW-UHFFFAOYSA-N 371.481 2.938 30 40 FFEB CCN(CC)c1ccc(/C=N/Nc2cc(N3CCOCC3)nc(C)n2)cc1 5003238 KOAIBIOZRAEORY-RCCKNPSSSA-N 368.485 2.914 30 40 FFEB Cc1ccc(-n2nnnc2SCC(=O)Nc2cccc(C#N)c2)cc1C 5171089 YEYBMRWSLMVWPQ-UHFFFAOYSA-N 364.434 2.882 30 40 FFEB COc1ccc(Br)c(/C=N/NS(=O)(=O)c2ccccc2)c1 3083542 MWLIRRXEOAAAOK-MHWRWJLKSA-N 369.240 2.770 30 40 FFEB N#Cc1cc(Br)cnc1N1CCC[C@@H](COc2cnccn2)C1 2298188900 FEJCCYIHWHRLMD-GFCCVEGCSA-N 374.242 2.801 30 40 FFEB CC(=O)O/N=C/c1c(Nc2ccc(C)cc2)nc2c(C)cccn2c1=O 1470011 POLDOWDPAFOMNZ-RGVLZGJSSA-N 350.378 2.952 30 40 FFEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)C)cc1 5265753 ZRZODZDQTRQKGZ-MPOGACDISA-N 366.508 2.821 30 40 FFEB CCCCCCCCc1nnc(NC(=O)[C@H]2CCS(=O)(=O)C2)s1 102937448 AHVLLLVGYNWDDZ-LBPRGKRZSA-N 359.517 2.814 30 40 FFEB N#Cc1cc([N+](=O)[O-])cn(Cc2ncc(-c3cccc(Cl)c3)o2)c1=O 24755986 FIDTWJAFNGUIKP-UHFFFAOYSA-N 356.725 2.985 30 40 FFEB CC(=O)Nc1ccc(NC(=O)[C@H](C)O/N=C/c2cccc([N+](=O)[O-])c2)cc1 3255570 MEGJRJNQSLOVCB-MKFNJMOCSA-N 370.365 2.931 30 40 FFEB COc1ccc(Br)cc1/C=C/C(=O)[C@@H]1C(=O)C=C(C)OC1=O 25638078 XEMIIWVZEYNDED-SJDLMVEWSA-N 365.179 2.686 30 40 FFEB O=C(c1ccoc1)N1CCC(/C(O)=N/c2nc(C(F)(F)F)n[nH]2)CC1 26251555 ICZXYZUYHKSJOM-UHFFFAOYSA-N 357.292 2.557 30 40 FFEB C[C@H](OC(=O)c1cccc(C[S@@](C)=O)c1)C(=O)Nc1cccc(C#N)c1 10778498 SCZZGOHEYVDYFP-NRRJATNASA-N 370.430 2.621 30 40 FFEB N#Cc1cccc(C(=O)N2CC3(C2)OCC[C@H]3CCOc2ccccn2)c1 306140520 UVZYZZXRMVYDIA-GOSISDBHSA-N 363.417 2.653 30 40 FFEB Cc1nn(CC(=O)Nc2c(Cl)cccc2Cl)c(=O)c(C#N)c1C 7441779 OIWHBTAWXGUCCA-UHFFFAOYSA-N 351.193 2.677 30 40 FFEB C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc2c(c1)OCCO2 224829470 YNFKXQQYTZMBQO-UHFFFAOYSA-N 361.419 2.848 30 40 FFEB COC(=O)c1ccc(NC(=S)N/N=C/c2ccccc2[N+](=O)[O-])cc1 1085662 QXLTUWCXFGVJCG-LICLKQGHSA-N 358.379 2.702 30 40 FFEB COc1cccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(OC)c(OC)c2)c1 5408855 UXGUXRNQLSPAAI-QGZVFWFLSA-N 369.373 2.578 30 40 FFEB C=CCNC(=O)C1(C[C@H]2CC(c3ccccc3OC)=NO2)CCOCC1 12365660 KPDBZNPECQJESU-OAHLLOKOSA-N 358.438 2.677 30 40 FFEB CCc1cc(N2CCN(c3cc(C#N)ccn3)CC2)nc(C(C)(C)C)n1 1888860188 SLIPOOHYCHCRAO-UHFFFAOYSA-N 350.470 2.930 30 40 FFEB O=C1C(Cl)=C(NS(=O)(=O)c2cccs2)C(=O)c2ccccc21 100672973 FZHAPDANAPDYQR-UHFFFAOYSA-N 353.808 2.556 30 40 FFEB C=CCNC(=O)[C@H](C)OC(=O)COc1ccccc1Cc1ccccc1 21602507 AQJHTSPEWFIROR-INIZCTEOSA-N 353.418 2.890 30 40 FFEB O=C(/C=N/OCC(=O)N1CCCCCCC1)Nc1ccc(F)cc1F 77571272 YMKNDSPKZASKCU-RGVLZGJSSA-N 353.369 2.698 30 40 FFEB C[C@H]1CCCC[C@H]1OCCNC(=O)C1CCN(c2ccc(C#N)cn2)CC1 47188820 ZSHAFCVXZVZQPL-QFBILLFUSA-N 370.497 2.881 30 40 FFEB C=CCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 6303662 SVQUSOYDTKWTOF-UHFFFAOYSA-N 370.902 2.966 30 40 FFEB COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)OC(N)=C2[N+](=O)[O-])ccc1O 1060085 PIJGFCFEMLFZKI-AWEZNQCLSA-N 360.366 2.562 30 40 FFEB NC(=S)N1N=C(c2ccccc2)/C(=N\Nc2ccc(Cl)cc2)C1=O 100530540 QCMPKCARNGGZAM-XSFVSMFZSA-N 357.826 2.598 30 40 FFEB C=CCn1c(C)nn(CN2CCN(c3ccccc3OC)CC2)c1=S 12544221 VPVMXSKORHUBLC-UHFFFAOYSA-N 359.499 2.697 30 40 FFEB CN(Cc1cccc(OC(F)F)c1)S(=O)(=O)c1ccc(C#N)cc1 57028942 OJPPRDYSCCOSGN-UHFFFAOYSA-N 352.362 2.980 30 40 FFEB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2c(C#N)oc3ccccc23)cc1 3419008 GNMGVVQEWLLATF-UHFFFAOYSA-N 369.402 2.807 30 40 FFEB COc1cc(C#N)ccc1OCc1nc(N)nc(Nc2ccc(F)cc2)n1 12903389 IKOVQQUWYUIRSF-UHFFFAOYSA-N 366.356 2.796 30 40 FFEB CN1CCc2c(C#N)c(N3CCOCC3)nc(NC3CCCCC3)c2C1 13509617 HCHCTSMRMQGBJY-UHFFFAOYSA-N 355.486 2.522 30 40 FFEB C=CCN1C(=O)/C(=C\Nc2cccc([N+](=O)[O-])c2)C(=O)N(CCCC)C1=O 4419670 XFTKBXGWKFNSQN-NTCAYCPXSA-N 372.381 2.668 30 40 FFEB N#C[C@@]1(N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218607489 YSUXMOJVPFRMHW-OWCLPIDISA-N 350.802 2.640 30 40 FFEB CC1=CC=CN2C(=O)C(=C\Nc3cccc(Cl)c3)/C(=N/CCO)N=C12 135998892 PNUHNCYHUIVQRB-NMTRILEFSA-N 356.813 2.741 30 40 FFEB C=CCNC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 225983400 GKWDCBFIEVPNPH-UHFFFAOYSA-N 358.463 2.665 30 40 FFEB CC1=C(NNC2C(=O)c3ccccc3C2=O)C(=O)[C@@H](c2ccccc2)[C@H]1C 1554504431 LFPFWATWFZAGFU-YVEFUNNKSA-N 360.413 2.805 30 40 FFEB CN(C)/C=N\c1ccc(S(=O)(=O)c2ccc(/N=C\N(C)C)cc2)cc1 100701519 XTFUZNKOLZFZEW-AXPXABNXSA-N 358.467 2.962 30 40 FFEB CC(C)(C)c1nnc(N/N=C/c2c(O)ccc3ccccc23)n(N=O)c1=O 27525278 JILRZEAEWHGMKA-VXLYETTFSA-N 366.381 2.770 30 40 FFEB Cc1cccc(/C=N/N2CC(=O)N3Cc4[nH]c5ccccc5c4C[C@H]3C2=O)c1 2091657 BTPPYTMHOKEMNH-BLXMRYOQSA-N 372.428 2.606 30 40 FFEB C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(Cc2ccsc2)CC1 22914758 HLYGLOUNUQZJFL-OAHLLOKOSA-N 354.479 2.765 30 40 FFEB C#CCC(C)(C)OC[C@@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1 28295214 RQAGBSXMOXATRH-SFHVURJKSA-N 364.917 2.950 30 40 FFEB N#Cc1ccc(OCCOC(=O)c2ccc(Cn3ccccc3=O)o2)cc1 24209361 MUJKCEGWHCXEIB-UHFFFAOYSA-N 364.357 2.597 30 40 FFEB Cc1ccc2[nH]c3c(=O)n(/N=C\c4ccc(N(C)C)cc4)c(O)nc3c2c1 33352417 FZHGVBXPZXROKU-NHDPSOOVSA-N 361.405 2.840 30 40 FFEB C=CCNC(=O)c1ccc(CN(CC=C)S(=O)(=O)c2ccccc2)cc1 224467771 VBPCXKHDNJKNDX-UHFFFAOYSA-N 370.474 2.979 30 40 FFEB O=C(C[C@@H]1S/C(=N/c2ccccc2)NC1=O)Nc1cccc([N+](=O)[O-])c1 13658842 YPZRGRBRTPWETN-AWEZNQCLSA-N 370.390 2.843 30 40 FFEB COc1ccc(NC(=O)C[C@H]2S/C(=N\CC(C)C)NC2=O)cc1Cl 3539589 GYJVHEXAJNRJEK-CYBMUJFWSA-N 369.874 2.921 30 40 FFEB CC#CCN1C(=O)N(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc21 1888930545 YAMPAIRPNMPJRP-UHFFFAOYSA-N 358.394 2.980 30 40 FFEB N#Cc1cc(-n2nc3ccccc3n2)c(-n2nnc3ccccc32)cc1C#N 8040528 PTZUSRSZXBIYBD-UHFFFAOYSA-N 362.356 2.898 30 40 FFEB CN(C)c1ccc(C(=O)N2CCC[C@@H](COc3cc(C#N)ccn3)C2)cc1 1775971825 NZUGDHQDCNXAFV-QGZVFWFLSA-N 364.449 2.950 30 40 FFEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccn(C)n3)c2C#N)C1 832657 QSSAECSRIREBAC-SECBINFHSA-N 359.480 2.605 30 40 FFEB CS(=O)(=O)N(CCCC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 8558240 XGRCQJJMGZKAOC-UHFFFAOYSA-N 371.462 2.938 30 40 FFEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccn(-c3ccccc3)n2)C1=O 58293799 VOGITFGLBPFNMS-OAQYLSRUSA-N 371.400 2.711 30 40 FFEB N#Cc1cc(F)c(N2CCN(Cc3cn4ccccc4n3)CC2)c(F)c1 60197054 DEPIRKXCZJPXQU-UHFFFAOYSA-N 353.376 2.806 30 40 FFEB Cc1cc(N2CCCC2)ccc1NC(=O)CSc1ncc(C#N)c(N)n1 9221165 MEAMSRJOHVSOFL-UHFFFAOYSA-N 368.466 2.570 30 40 FFEB NC(=S)N/N=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 4844228 RCYHAOJLRALDIB-VXLYETTFSA-N 366.406 2.615 30 40 FFEB C=C(C)CN(CC)C(=O)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O 9882591 YOQNVCJTIQLRLZ-OAQYLSRUSA-N 369.465 2.585 30 40 FFEB CC1(C)CC(=O)C2=C(C1)Nc1nc(CCCO)nn1[C@@H]2c1ccccc1 28629141 YDCNWJACKWXHDB-GOSISDBHSA-N 352.438 2.861 30 40 FFEB COc1ccc(S(=O)(=O)/N=C(O)/C=C/c2csc(C)n2)c(OC)c1 48611431 JTJDKZNQZYSAFB-QPJJXVBHSA-N 368.436 2.827 30 40 FFEB COc1cc(/C=N/Nc2nc3ccccc3n2C)c([N+](=O)[O-])cc1OC 7343388 UVTDDFBXJWABHP-VCHYOVAHSA-N 355.354 2.945 30 40 FFEB N#Cc1cc(C(=O)c2cc(Br)ccc2O)cn(C2CC2)c1=O 4143979 DSBMMHQYMZZKBG-UHFFFAOYSA-N 359.179 2.754 30 40 FFEB NC(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 2771270 XOQFXURVRLWDSD-REZTVBANSA-N 364.155 2.912 30 40 FFEB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1CCC(=O)Nc1sccc1C#N 45097012 VXTBVLSOOYOISZ-DOMZBBRYSA-N 368.462 2.816 30 40 FFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@H]4CCCCNC4=O)[C@H]3C[C@@H]12 4028699 FNZXGPROFSMFFW-IGYPPAOUSA-N 360.498 2.559 30 40 FFEB biogenic C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)CF 118929762 MYHOAFKYKANCBW-CZFMHFDVSA-N 364.457 2.759 30 40 FFEB Cc1cc(C)nc(Sc2ccc(/C=N\n3cnnc3)cc2[N+](=O)[O-])n1 32142746 QVVQPBSKOGIZCV-WSVATBPTSA-N 355.383 2.627 30 40 FFEB COc1ccc(OC)c2c1CN(CCOc1ccc(C#N)cc1)C[C@H]2O 53147169 SIXAZDZWGJNUSC-QGZVFWFLSA-N 354.406 2.503 30 40 FFEB O=C1CN2C(=C1c1nc3ccccc3s1)NC(=O)c1cc(F)ccc12 102231395 QTWAHWDXBOCJTM-UHFFFAOYSA-N 351.362 2.937 30 40 FFEB Cc1cc(N(CCO)CCO)ccc1/N=N/c1ccc([N+](=O)[O-])cc1C#N 5419598 SAEOXNIKTXFZNK-QZQOTICOSA-N 369.381 2.981 30 40 FFEB CC1CCC(NC(=O)CN2CCCN(c3ccc(C#N)cc3)CC2)CC1 51851813 CCIUDBKOCLVUIM-UHFFFAOYSA-N 354.498 2.765 30 40 FFEB COc1cccc(N2CCN(c3c(C#N)c(C(F)(F)F)nn3C)CC2)c1 3116851 XWPUVAJJCDJDDX-UHFFFAOYSA-N 365.359 2.646 30 40 FFEB Cc1c(NC2=CC(=O)C(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C 100498346 YRHHKUHCVAXWHR-UHFFFAOYSA-N 359.385 2.703 30 40 FFEB O=C(NCC#Cc1ccccc1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 36396795 ZCUJWQLSBITGRL-FQEVSTJZSA-N 358.441 2.696 30 40 FFEB C[C@H]1[C@]2(C)OC(=N)[C@@]1(C#N)C(C#N)(C#N)[C@H](c1ccc([N+](=O)[O-])cc1)O2 102716147 BCTAXDDPLMJABR-MSMFTSAESA-N 351.322 2.569 30 40 FFEB CCOc1ncccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 3316580 SCGOBOFSKKVIOF-UHFFFAOYSA-N 359.769 2.801 30 40 FFEB O=S(=O)(/N=C(\O)c1cc(Cl)c2c(c1)OCCO2)c1ccccc1F 48588032 VZXVSGPNDPBWAK-UHFFFAOYSA-N 371.773 2.944 30 40 FFEB Cc1ccc(-c2nnc(SCC(=O)Nc3sccc3C#N)n2N)cc1 6205460 IWKCNNFCGHNCAC-UHFFFAOYSA-N 370.463 2.631 30 40 FFEB CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)N1CCCc2ccccc21 5403812 TWZZRBAHEOXZLI-ODLFYWEKSA-N 372.490 2.998 30 40 FFEB CC(=O)Nc1ccc(/C(C)=N/OCC(=O)N2CCc3ccccc32)cc1 14396963 NWXPKIGZZIFJFB-HYARGMPZSA-N 351.406 2.975 30 40 FFEB Nc1nc2n(n1)[C@@H](c1cccnc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 18199743 MNVGDXMGHYPCBB-BZNIZROVSA-N 364.434 2.733 30 40 FFEB CC(C)CN1CCO[C@]2(CCCC[C@H]2NC(=O)c2ccc(C#N)cc2)C1 306126359 DTKGWZIZGFZSKQ-TZIWHRDSSA-N 355.482 2.958 30 40 FFEB C/C(=N/Nc1ncnc(N)c1[N+](=O)[O-])c1ccc(Br)cc1 38203963 WJTNAAYPGUMFDF-IDUWFGFVSA-N 351.164 2.566 30 40 FFEB C=CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])cc(OC)c2O)SC1=S 34902446 HIEZJZQVCGCDKH-IZZDOVSWSA-N 352.393 2.696 30 40 FFEB CN(/N=C\c1nc(/C=N/N(C)c2ccccn2)ccc1O)c1ccccn1 17189248 AOMWJYYZXINVIA-HCRUVJSOSA-N 361.409 2.518 30 40 FFEB C=CCN1CC[C@]2(CN(C(=O)c3ccnc(C(F)(F)F)c3)C[C@H]2C)C1=O 1614930408 JVJYWHJMPJAESS-SJKOYZFVSA-N 367.371 2.597 30 40 FFEB CN(C)S(=O)(=O)c1ccc(-c2nc(C#N)c(NCc3ccco3)o2)cc1 12421020 WRWOFKCQHBTBQT-UHFFFAOYSA-N 372.406 2.669 30 40 FFEB C=CCOc1ccc([C@@H]2C3=C(Nc4nnnn42)c2ccccc2C3=O)cc1 12349199 XVUUPFZRHFFUPB-GOSISDBHSA-N 357.373 2.860 30 40 FFEB CCN(CC)c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100229858 ZJFAFNLKQZZYEM-XXRSEEEDSA-N 363.461 2.920 30 40 FFEB CCOC(=O)C1=C(C)N(c2cc(C)on2)C(=O)N[C@H]1c1cccc(C#N)c1 24441664 LBQDYSJXPMCUED-KRWDZBQOSA-N 366.377 2.963 30 40 FFEB C=CCNC(=O)CN1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 11284706 UBJIOKBNGKCWFK-OAHLLOKOSA-N 356.466 2.948 30 40 FFEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2cc(C)on2)C1=O 3321578 HPINNGXHNFNVPU-KRWDZBQOSA-N 350.419 2.593 30 40 FFEB C[C@@H](C#N)OC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 3357791 WTFRZUDUXYVLNU-AWEZNQCLSA-N 370.430 2.897 30 40 FFEB NS(=O)(=O)c1ccc(N/N=C/c2cc(Cl)cc(Cl)c2O)cc1 6510767 ZMTYLEAYFPPVGU-REZTVBANSA-N 360.222 2.792 30 40 FFEB COc1ccc2nc(/C(N)=N/N=C\c3ccc([N+](=O)[O-])cc3)sc2c1 20477687 IYDFFQOURBDXBM-NVMNQCDNSA-N 355.379 2.953 30 40 FFEB COc1ccc2c(c1)OCC/C2=N\OC(=O)Cc1ccc([N+](=O)[O-])cc1 32131512 TXLNKJDCDOWONK-KNTRCKAVSA-N 356.334 2.876 30 40 FFEB C=CCOc1cccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c1 218230518 VMPVTNGTAGDYBK-UHFFFAOYSA-N 374.462 2.965 30 40 FFEB CCOC(=O)[C@]1(C#N)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 252515271 ICDOBAHSDXGFIS-ZHALLVOQSA-N 373.405 2.838 30 40 FFEB CCc1ccc(CC)c(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)c1 5012635 CFFXWKLJVWAICD-UHFFFAOYSA-N 359.403 2.728 30 40 FFEB COc1cc([C@H](O)[C@@H](C#N)c2ccc(C#N)cc2)c([N+](=O)[O-])cc1OC 16194851 IJUGQKOQPIPQKL-KSSFIOAISA-N 353.334 2.824 30 40 FFEB CCc1cc(N2CCN(Cc3ccc(C#N)cc3)CC2)nc(SC)n1 1888879648 FIZLECIZJTXOSI-UHFFFAOYSA-N 353.495 2.955 30 40 FFEB C=CCN1C(=O)c2ccc(C(=O)N(C)Cc3cccc(F)c3)cc2C1=O 12695998 FCIHCHQUJLTLDB-UHFFFAOYSA-N 352.365 2.880 30 40 FFEB CCc1cccc(C)c1NC(=O)CO/N=C1\C(=O)Nc2ccc(OC)cc21 58379751 YLMMRVLSHZXFGC-UHFFFAOYSA-N 367.405 2.878 30 40 FFEB N#Cc1ccc(OC[C@@H](O)CSc2nc(N)c3ccsc3n2)cc1 58453160 FXAMCTOFQFKKKB-LLVKDONJSA-N 358.448 2.677 30 40 FFEB CC(=O)C1=C(c2ccc3c(c2)CCCC3)N(C(C)=O)n2cnnc2S1 4518248 GCPDEIHNIDTYRU-UHFFFAOYSA-N 354.435 2.705 30 40 FFEB CCOC(=O)c1cnn(-c2ccc(C(=O)NC3(C#N)CCC3)cc2)c1C 84800509 VNJMXMDPZOCPFT-UHFFFAOYSA-N 352.394 2.534 30 40 FFEB C=CCN1C(=O)/C(=C/c2cccc(OC)c2O[C@@H](C)CC)C(=O)NC1=S 408903250 WKCFTOZUICWCMG-SEVUAYLXSA-N 374.462 2.685 30 40 FFEB Cc1nc(C)c(/C(O)=N/S(=O)(=O)c2ccc3c(c2)OCCCO3)s1 42339243 SMMXSYNOJGENFS-UHFFFAOYSA-N 368.436 2.615 30 40 FFEB N#Cc1ccc(N=c2cnc([C@H]3CCCN3Cc3ccncc3)c[nH]2)cn1 585293600 JMBHKFHMIRLDFE-LJQANCHMSA-N 357.421 2.641 30 40 FFEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCCc1c[nH]c2ccccc12 10326928 DLWZOKXPXGPOKQ-UHFFFAOYSA-N 366.808 2.990 30 40 FFEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2C)C(=O)O1 102500217 SKUQITFVZVNEIA-CSHXORCISA-N 368.364 2.856 30 40 FFEB Cc1ccc(S(=O)(=O)OC[C@@H](O)[C@H]2CCc3cc(F)ccc3O2)cc1 65748882 SRYHEPKRXGABEM-SJLPKXTDSA-N 366.410 2.594 30 40 FFEB in-vitro COc1cccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 408536362 RCRXEZSVBSGHMY-OAHLLOKOSA-N 371.780 2.950 30 40 FFEB CN(C)[C@H](CNS(=O)(=O)c1cccc(C#N)c1)c1ccccc1Cl 47213421 GEMGJZSNDHVOIB-QGZVFWFLSA-N 363.870 2.793 30 40 FFEB N#Cc1ccc(C2=CCN(C(=O)c3cncc(N4CCOCC4)c3)CC2)cc1 611246662 DPHOQWDFZDYFPK-UHFFFAOYSA-N 374.444 2.719 30 40 FFEB N#Cc1ccc(N2C[C@@H]3CN(C(=O)C4(c5ccccc5)CC4)C[C@H]3C2)nc1 1889149178 USSZMVRCZUKYLR-QZTJIDSGSA-N 358.445 2.580 30 40 FFEB C=C(Cl)COC(=O)[C@H]1[C@@H](C(=O)n2nnc3ccccc32)[C@H]2C=C[C@H]1C2 100088415 WWKVRJPSDCXLQD-GVAFMPQTSA-N 357.797 2.806 30 40 FFEB N#CCCN1C(=O)[C@]2(CCC#N)CCCC[C@]2(O)N=C1c1ccccc1 1611220 QVFHXGFEIQBMLG-WOJBJXKFSA-N 350.422 2.742 30 40 FFEB CC1(C)CC(=O)C2=C(C1)Nc1nc(CCCO)nn1[C@H]2c1ccccc1 28629142 YDCNWJACKWXHDB-SFHVURJKSA-N 352.438 2.861 30 40 FFEB C[C@@H]1C(C#N)(C#N)[C@@]2(C#N)C(=N)O[C@@]1(C)O[C@@H]2c1cccc([N+](=O)[O-])c1 102986185 UQYCVIOUEOEUSE-YFQFEKICSA-N 351.322 2.569 30 40 FFEB CCOC(=O)/C(=N\Nc1cc(Cl)ccc1Cl)N1CCN(C)CC1 12729292 KAXDVQNOXGRPQB-XMHGGMMESA-N 359.257 2.529 30 40 FFEB Cc1cc(N2CCN(C(=O)C(C)C)CC2)n2c(nc3ccccc32)c1C#N 25251839 NPPDCVWWNVOREP-UHFFFAOYSA-N 361.449 2.972 30 40 FFEB N#Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCCO3)cc1Cl 3459682 XFILBWNZWZTTAS-UHFFFAOYSA-N 372.764 2.778 30 40 FFEB CN(C)c1cccc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)c1 4506512 IGXMUXJPTKNTGS-UHFFFAOYSA-N 351.406 2.856 30 40 FFEB C=CCN(CC(=O)N[C@H]1CCCC[C@@H]1C)S(=O)(=O)c1ccc(C)cc1 6560718 OKVSQNMBWCFNNX-WMZOPIPTSA-N 364.511 2.867 30 40 FFEB C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3[N+](=O)[O-])cc2C1=O 25056224 VHUYWPWKDVVIPY-UHFFFAOYSA-N 351.318 2.629 30 40 FFEB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)CO)cc1 225653824 UXFDVQWDMPUCPL-AABGKKOBSA-N 355.459 2.999 30 40 FFEB N#Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 46739290 UESCQWNMSNEJQI-MRXNPFEDSA-N 369.446 2.598 30 40 FFEB N#Cc1cccc(S(=O)(=O)N2CCC3(CC2)OCCc2ccccc23)c1 573307470 GCJOBUFZDHEFGS-UHFFFAOYSA-N 368.458 2.811 30 40 FFEB Cc1cc(N(CCC#N)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)ccc1Cl 12951992 CYWRUNJAJAPJMM-UHFFFAOYSA-N 374.784 2.665 30 40 FFEB Cc1nnc(SCC(=O)N(CCC#N)CCC#N)n1C1CCCCC1 6997005 ZCWLTUOUIMSSQZ-UHFFFAOYSA-N 360.487 2.840 30 40 FFEB N#Cc1ccnc(N2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)c1 30939148 YOABJPJOZQVQFK-UHFFFAOYSA-N 365.418 2.632 30 40 FFEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(-c2nnn[nH]2)cc1 32908470 TYUXBOXLOIQEQS-UHFFFAOYSA-N 366.384 2.914 30 40 FFEB O=C1Nc2ccccc2/C1=N/N=c1/[nH]c(-c2cccc([N+](=O)[O-])c2)cs1 4748271 LQKITFRFKNNTPK-UHFFFAOYSA-N 365.374 2.909 30 40 FFEB O=S(=O)(Cc1ccc(Cl)nc1)/N=C(\O)C1=Cc2ccccc2OC1 58151328 OBEQZXUTSFBJDQ-UHFFFAOYSA-N 364.810 2.997 30 40 FFEB COc1ccc(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)cc1F 58216690 ZPLWEZUYNUWWAR-LJQANCHMSA-N 353.353 2.673 30 40 FFEB COc1cc(/C=N/n2cnnc2)ccc1OCCOc1cccc(C)c1 6034954 VRLSPPVFGCRYCB-WSDLNYQXSA-N 352.394 2.935 30 40 FFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)N1CCCCCC1 7672060 MGMKFNJOFOALRX-UHFFFAOYSA-N 355.394 2.810 30 40 FFEB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1/C=C1\Cc2ccccc2C1=O 8054070 MIMZVOJSVYDNJB-AAGJOFLKSA-N 356.447 2.682 30 40 FFEB N#Cc1ccc(NC(=O)c2ccc(CN3CCCC[C@@H]3CCO)cc2)cn1 65380651 XBOBAHYSOUABPL-HXUWFJFHSA-N 364.449 2.942 30 40 FFEB COc1cc2c(cc1OC)CN(CCC(=O)Nc1ccc(C#N)cc1)CC2 30673330 NPSVZCXCVZJZOH-UHFFFAOYSA-N 365.433 2.962 30 40 FFEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccco2)cc1 102539783 DRUSDLLIMDHMOA-GROYHEBESA-N 354.406 2.571 30 40 FFEB COC(=O)Nc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2C#N)cc1 53595901 ABJOSDJDIGZSJF-CYBMUJFWSA-N 353.378 2.820 30 40 FFEB COc1ccc2c(c1)C(=O)/C(=C\c1cc(OC)c(O)c([N+](=O)[O-])c1)CO2 58192283 MBZLJWYONYDQIT-WZUFQYTHSA-N 357.318 2.976 30 40 FFEB C#Cc1cccc(NC(=O)CNC(=O)c2cccc(OC)c2OC(F)F)c1 58201827 SHCRJYDUIUIIEF-UHFFFAOYSA-N 374.343 2.646 30 40 FFEB C=CCN(C(=O)CCc1c(C)nc(C)[nH]c1=O)c1nc2c(s1)CCCC2 21843700 AUYZGJHKOTUEMW-UHFFFAOYSA-N 372.494 2.874 30 40 FFEB C=CCn1cnnc1SCC(=O)Nc1cccc(Br)c1 8941613 JLQHSFBQMCBNLQ-UHFFFAOYSA-N 353.245 2.957 30 40 FFEB COc1ccc(/C=N/N=C2/NC(=O)[C@@H](c3ccccc3)S2)c(OC)c1 13144797 GKFVHMZMICJZDI-YDDPGSGASA-N 355.419 2.998 30 40 FFEB Cc1ccc(CN2CCCN(C(=O)COc3ccc(C#N)cc3)CC2)cc1 8772501 JHQCNGYBWZCGPP-UHFFFAOYSA-N 363.461 2.980 30 40 FFEB CN(C)S(=O)(=O)c1ccc(-c2nc(C#N)c(NC3CCCCC3)o2)o1 71284027 WEDCUSYTACEWAZ-UHFFFAOYSA-N 364.427 2.801 30 40 FFEB Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1N(C)S(C)(=O)=O 222451209 YKPUTRRBLBOTFA-UHFFFAOYSA-N 357.435 2.709 30 40 FFEB N#C[C@@H]1C(=O)Nn2c(c(-c3ccccc3)[nH]c2=N)[C@H]1c1ccc(Cl)cc1 618257296 UNDPHQIIQMHCMN-GJZGRUSLSA-N 363.808 2.971 30 40 FFEB COC[C@@H](C)/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(C)c(Cl)c2)S1 15353611 BUAUMXNMBFNHSO-MFKMUULPSA-N 369.874 2.600 30 40 FFEB C[C@@H]1[C@@]2(C)OC(=N)[C@@]1(C#N)C(C#N)(C#N)[C@@H](c1ccc([N+](=O)[O-])cc1)O2 101007296 BCTAXDDPLMJABR-ZQPYQELRSA-N 351.322 2.569 30 40 FFEB COc1cccc(/C=C/C(=O)c2ccc(NS(C)(=O)=O)cc2)c1OC 58161133 MLXOSSSZUHYNKL-FMIVXFBMSA-N 361.419 2.971 30 40 FFEB COc1ccc(OCCN2CCN(c3cccc(F)c3C#N)CC2)cc1 57381113 BJZZJSOKUUNVAG-UHFFFAOYSA-N 355.413 2.907 30 40 FFEB N#CCC[C@@H](C#N)CN1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 27210840 ZGTCEGXJKMWHOZ-AWEZNQCLSA-N 364.371 2.907 30 40 FFEB CC(=O)c1ccc(S(=O)(=O)/N=C(\O)[C@H]2CC(=O)Nc3ccccc32)cc1 48472841 ISIKEQRYYRUANF-HNNXBMFYSA-N 372.402 2.660 30 40 FFEB COc1cccc(/C(O)=N/S(=O)(=O)c2ccc(F)cc2F)c1OC 48457057 MIFJBKZJSOIQBQ-UHFFFAOYSA-N 357.334 2.676 30 40 FFEB Cc1ccc(C(=O)/N=C2C(=N\Nc3cccc(Cl)c3)/C(=O)NN/2C)cc1 6009139 HXDFUNSQRPRBNW-OXRQBELGSA-N 369.812 2.632 30 40 FFEB C#CCN1CCC(C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)CC1 65512972 DASJMYKBNWMKJB-MRXNPFEDSA-N 359.901 2.628 30 40 FFEB O=[N+]([O-])c1ccc(N/N=C\c2cc(Br)c(O)cc2O)nc1 408750805 RXHUFWZVVOOMJM-WCSRMQSCSA-N 353.132 2.610 30 40 FFEB CC1=CC(=O)/C(=C/N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)C(=O)O1 1637592 XWRJSXFGIHCWRZ-AQNQMEFGSA-N 373.411 2.507 30 40 FFEB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(C#N)cc3)sc2c1 3549812 KQJJQBLLNMDOGI-UHFFFAOYSA-N 357.416 2.824 30 40 FFEB C=CCn1cc(CN2CCC(c3cc(N)n4nc(C)cc4n3)CC2)c(C)n1 12121577 BDVKHZJHQUKMST-UHFFFAOYSA-N 365.485 2.690 30 40 FFEB Cn1cccc1C(=O)NCCNC(=O)c1ccccc1-c1ccccc1C#N 32754218 HPIRPPAEDNIDDU-UHFFFAOYSA-N 372.428 2.724 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(F)cc1 102856506 AVFSKBNQMAZGBK-HVESIFNPSA-N 355.365 2.894 30 40 FFEB CC[C@H](C#N)N(Cc1cccc(CN(C(C)=O)[C@@H](C#N)CC)c1)C(C)=O 1647938 UOONXSFQZJSYHA-WOJBJXKFSA-N 354.454 2.988 30 40 FFEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(C)on2)C1=O 3321580 HPINNGXHNFNVPU-QGZVFWFLSA-N 350.419 2.593 30 40 FFEB Cc1n[nH]c(SCc2nc3sc4c(c3c(=O)n2CC#N)CCCC4)n1 12972861 MKVBQQKYPGSBIZ-UHFFFAOYSA-N 372.479 2.579 30 40 FFEB N#Cc1ccc(N2CCC(C(=O)NCCc3ccccc3F)CC2)nc1 12935430 XYHZWHXFFFGFSJ-UHFFFAOYSA-N 352.413 2.668 30 40 FFEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccnc2)no1 9009491 DPDDARBOGDKAPW-OAHLLOKOSA-N 351.318 2.754 30 40 FFEB COc1ccccc1CNC(=O)COc1c(Cl)cc(C#N)cc1OC 6126657 PSFPOSMPECVORD-UHFFFAOYSA-N 360.797 2.924 30 40 FFEB CNC(=O)C[C@H]1S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O 4699854 BWYROBSTQRJQGT-BSBNDGSWSA-N 353.447 2.954 30 40 FFEB COc1cc(/C=N\N=C2NC(=O)CS2)ccc1OCc1ccccc1F 408843139 QMWCOHWXKCVNFG-UKWGHVSLSA-N 373.409 2.966 30 40 FFEB C[C@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)Nc1ccccc1 5813046 AGVUQSXBAHTNOY-ZDUSSCGKSA-N 351.362 2.723 30 40 FFEB CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)cc(Cl)c1O 409183061 QWAIJDHQULAXCV-BLGMEHLJSA-N 374.824 2.975 30 40 FFEB N#Cc1ccc(Cn2c(=O)nc3n2C(=O)N(c2cccc(Cl)c2)C3)cc1 71279593 PLPVUTJANGMTLA-UHFFFAOYSA-N 365.780 2.606 30 40 FFEB Cc1ccccc1-n1nc(C#N)c(N2CCN(Cc3ccccc3)CC2)n1 256048133 QWYLHHSYQDUKAZ-UHFFFAOYSA-N 358.449 2.770 30 40 FFEB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]34O[C@@H]4C[C@@]21C 1569985950 SIYXFDGWCLUFNE-LVBKXONGSA-N 356.462 2.992 30 40 FFEB C=CCNC(=O)[C@H](C)Sc1ncnc2c1cnn2-c1ccc(F)cc1 13296314 AFYLFAXEAFYNDM-NSHDSACASA-N 357.414 2.737 30 40 FFEB N#Cc1cc2c(nc1N1C[C@H]3CN(c4ncccc4F)C[C@@H]3C1)CCCC2 2086992616 YPZWTIPVVINUTG-IRXDYDNUSA-N 363.440 2.939 30 40 FFEB Cc1nc2ccccc2nc1N1CC[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]21 2086889688 NTAZUSAJIVGZAI-APWZRJJASA-N 356.433 2.920 30 40 FFEB CC1(C)OB(c2cccc(S(=O)(=O)NC3CCCCC3)c2)OC1(C)C 2237365292 VFWYCBQTVHBOOT-UHFFFAOYSA-N 365.304 2.597 30 40 FFEB COc1cc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3ncnn32)cc(OC)c1OC 19134889 NHOWQSUJEXBSLN-DYZYQPBXSA-N 370.409 2.572 30 40 FFEB COc1ccc(OC)c([C@@H]2C3=C(CCCC3=O)Nc3c(C#N)cnn32)c1 40266982 LUUIRGAQVVMXRX-GOSISDBHSA-N 350.378 2.794 30 40 FFEB CN(C)/C=C\C(=O)C(Cc1c(F)cccc1Cl)C(=O)/C=C/N(C)C 29763808 KVZJOAJNYCILEU-PNQPDEHRSA-N 352.837 2.927 30 40 FFEB CCn1c2c(c(=O)[nH]c1=O)[C@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 4248282 LHASEJZVJLATAJ-CQSZACIVSA-N 371.462 2.819 30 40 FFEB Cc1ccccc1C(=O)NCCn1c(N)c(C#N)c2nc3ccccc3nc21 5205763 OYPIWEZJBKGZHG-UHFFFAOYSA-N 370.416 2.777 30 40 FFEB COc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2ccc(Cl)cc2)C1=O 408536844 STHXVPPQNCBDPZ-CYBMUJFWSA-N 371.780 2.950 30 40 FFEB C#CCSc1nnc(NC(=O)CSc2nc3ccccc3[nH]2)s1 22636580 JNIXUNRTAJYNPC-UHFFFAOYSA-N 361.477 2.871 30 40 FFEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cc3c(cc1Cl)OCO3)[C@H]1C=C[C@H]2C12CC2 408728571 OWZVTKHIRDPNCY-PRHFECICSA-N 370.792 2.600 30 40 FFEB CCOc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OCC 409404754 LYDZOLYKZOJSCW-DFEHZGFQSA-N 354.406 2.625 30 40 FFEB C#CCOC[C@H]1CCCN(C(=O)c2cc(OC)ccc2Br)C1 49031629 AJGRMZSIFFAVGX-ZDUSSCGKSA-N 366.255 2.960 30 40 FFEB Cc1ccc(S(=O)(=O)N/N=C/c2cc3c(cc2Cl)OCO3)cc1 1102956 VHQYLPPIYPTUGK-CAOOACKPSA-N 352.799 2.690 30 40 FFEB C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2F)cc1 23484505 YCPQQJDTJQBPIS-UHFFFAOYSA-N 362.426 2.562 30 40 FFEB Fc1ccc(/C=N/c2nnc3n(/N=C/c4ccc(F)cc4)cnn23)cc1 1056710 PZMDDXOKNKIXIF-VDEHPEQNSA-N 351.320 2.837 30 40 FFEB Cc1cccc(NC(=O)CN(C)CC(=O)NC2(C#N)CCCCCC2)c1C 13023664 ZKLVUWASDRLNQF-UHFFFAOYSA-N 370.497 2.907 30 40 FFEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccco1 4427664 CABLVWBFQVGBHF-IDTYTIONSA-N 360.435 2.715 30 40 FFEB C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(SC)cc2)c1 14108681 PJWOBGLKWBZXCK-UHFFFAOYSA-N 360.460 2.572 30 40 FFEB O=C(C[C@H]1S/C(=N/c2ccccc2)NC1=O)Nc1ccccc1[N+](=O)[O-] 4588102 LRTBGWMGONGBBV-CQSZACIVSA-N 370.390 2.843 30 40 FFEB COCCN/C(=N/S(=O)(=O)c1cccs1)c1ccccc1Cl 4979840 AGJYGCZGOULMIP-UHFFFAOYSA-N 358.872 2.773 30 40 FFEB O=[N+]([O-])c1ccc2c(c1)/C(=N/Nc1c(F)c(F)nc(F)c1F)C(O)=N2 7785918 HSCYGBIXVDHLOC-UHFFFAOYSA-N 355.207 2.964 30 40 FFEB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CCn3cc(C#N)cn3)C2=O)cc1 72288046 ACVMIFUMBIOMMB-FQEVSTJZSA-N 365.437 2.519 30 40 FFEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(N2CCCC2)cc1F 409359776 YCEVOWCDLHGBGM-UHFFFAOYSA-N 352.369 2.724 30 40 FFEB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CCOc2cccc(C#N)c2)C1=O 47348151 CRAFVYPMBVRYSL-HXUWFJFHSA-N 367.380 2.933 30 40 FFEB N#C[C@]1(C(=O)O)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 242701735 WNNAVPSUXGLJFG-INMHGKMJSA-N 361.806 2.874 30 40 FFEB C[C@H]1CN(/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)C[C@@H](C)O1 18088874 NJQJCCXGUQYFNO-BVYOUEPQSA-N 358.463 2.931 30 40 FFEB COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCO)cc1 6622006 JVTRJOUWKPXSKU-GOSISDBHSA-N 367.401 2.574 30 40 FFEB CNc1oc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)nc1C#N 12421187 QJUIWAMRGAZFHP-UHFFFAOYSA-N 360.439 2.820 30 40 FFEB Cc1nnc(-n2ncc(C#N)c2N)c2nn(-c3cccc(Cl)c3)c(C)c12 642640 XSRKAFTZNYRSSC-UHFFFAOYSA-N 364.800 2.725 30 40 FFEB CC(C)(C)c1nn2cnnc2n(/N=C/c2ccc(Cl)cc2Cl)c1=O 1417194 NFIJTRLZUUBCNK-FBCYGCLPSA-N 365.224 2.773 30 40 FFEB COC(=O)c1cc2ccccc2cc1NCC(=O)N[C@](C)(C#N)C1CC1 55859916 YDZZRWXHXSNQDF-HXUWFJFHSA-N 351.406 2.847 30 40 FFEB N#Cc1ccc(NC(=O)CSc2nnnn2CCc2cccs2)cc1 10854153 ZTIVIOSILJXIPN-UHFFFAOYSA-N 370.463 2.580 30 40 FFEB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCCN(c2ccccc2C#N)CC1 46086736 OYPKDNSEVWOEOP-MJGOQNOKSA-N 354.498 2.765 30 40 FFEB C=CCN(Cc1cccs1)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 14016622 NCENRRXKVASLIK-UHFFFAOYSA-N 373.434 2.991 30 40 FFEB CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)Cc2ccc(Cl)s2)CC1 91515928 XPJFAUSFFWRNKG-OAHLLOKOSA-N 368.934 2.526 30 40 FFEB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)C(=O)O)cc1 218403380 QDOYOONKAUQSQX-LMMKCTJWSA-N 355.415 2.783 30 40 FFEB Cc1nc(-c2ncn([C@H]3CCCCO3)n2)ccc1B1OC(C)(C)C(C)(C)O1 642882490 CQSWXMPHBQEQIP-MRXNPFEDSA-N 370.262 2.647 30 40 FFEB CCN1C(=O)c2cccc3c(S(=O)(=O)N=C4C=CC(=O)C=C4)ccc1c23 5553187 OOUSFMVRNIQUKU-UHFFFAOYSA-N 366.398 2.645 30 40 FFEB CCCCOc1ccc(/C(C)=N/N=C2\NC(=O)[C@@H](CC(=O)O)S2)cc1 6778535 MLWIGHKKTHQPLV-HIPSJFSSSA-N 363.439 2.652 30 40 FFEB CC(=O)c1ccc(S(=O)(=O)/N=C(O)/C=C/c2ccc3c(c2)OCO3)cc1 46929532 GCTCYSXZKKLFGX-YCRREMRBSA-N 373.386 2.977 30 40 FFEB N#C[C@H](C(=O)c1ccccc1SCC(N)=O)c1nc2ccccc2o1 41541167 AABAAEWPRGZGCV-GFCCVEGCSA-N 351.387 2.895 30 40 FFEB CCOCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@H]2CC[C@]1(C)C2(C)C 4973982 DAHJLJDIQUXYSV-UWVAXJGDSA-N 356.527 2.874 30 40 FFEB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)OCc1cccc(C#N)c1 5233590 RANFQJGDVBSBGL-FQEVSTJZSA-N 350.418 2.985 30 40 FFEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccccc1F 4427777 XJUPFIHMXMEERR-UYTDBDHRSA-N 374.437 2.871 30 40 FFEB C=C(C)CN1C(=O)[C@@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 6614180 RHISCDXBTUHUMT-HXUWFJFHSA-N 366.373 2.978 30 40 FFEB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)COc1ccccc1C#N 14865428 NNDUFDJUDMYBFB-UHFFFAOYSA-N 373.359 2.702 30 40 FFEB C/C(=N/NS(=O)(=O)c1ccc2ccccc2c1)c1c(O)cccc1O 17073586 PSMICOPCBDBMAC-UNOMPAQXSA-N 356.403 2.954 30 40 FFEB Cc1cc(N(CCC#N)C(=O)Cn2ccc(C)c(C#N)c2=O)ccc1Cl 95941594 SBRLYOLSSFBUMV-UHFFFAOYSA-N 368.824 2.937 30 40 FFEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(N2CCCCC2)o1 408728512 NTWCDEIBPRWXLK-LOCUNBMGSA-N 353.422 2.801 30 40 FFEB N#Cc1ccc(NC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1 32826190 QZJVWIJRFROHMB-UHFFFAOYSA-N 356.407 2.742 30 40 FFEB O=C(CCC(=O)c1ccccc1)NCC#CCN1CCc2ccccc2C1 75164966 KXXMPFLBLOTMEN-UHFFFAOYSA-N 360.457 2.827 30 40 FFEB COc1cccc(/C(O)=N/S(=O)(=O)c2cncc(Br)c2)c1 95377466 GOYYWWKMDLETND-UHFFFAOYSA-N 371.212 2.546 30 40 FFEB C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)C(C)C)cc21 9171324 DXYJEMMOQQIOBQ-UHFFFAOYSA-N 352.456 2.774 30 40 FFEB CN(C)c1cc(C#N)cc(C(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 590097577 YUDPHUQAJSBUDT-OXJNMPFZSA-N 352.482 2.713 30 40 FFEB COc1nccnc1N(C)CC1CCN(c2ncc(C#N)cc2Cl)CC1 1888853713 WHWZPCNQUFMNTM-UHFFFAOYSA-N 372.860 2.758 30 40 FFEB Cc1nc2ccccc2nc1N1C[C@@H]2CN(c3ncccc3C#N)C[C@@H]2C1 2086867341 LROFOMIOZXQDIP-CALCHBBNSA-N 356.433 2.778 30 40 FFEB N#C[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN21 101358741 XWNJGDKDMIFFFC-VNTMZGSJSA-N 355.397 2.721 30 40 FFEB CCCCCCCCC(=O)c1c(OC)oc(/C=N\NC(N)=S)cc1=O 104186803 JSXMWMDEGVWBGJ-ODLFYWEKSA-N 367.471 2.749 30 40 FFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCCN4CCCC4=O)[C@H]3C[C@H]12 12659925 NWNADTATLWRPLF-ZPXGPAEQSA-N 374.525 2.903 30 40 FFEB biogenic C=CCNc1nnc(S[C@@H](C(=O)NCc2cccnc2)C(C)C)s1 58197190 DEXXXRJUOQDSOJ-CYBMUJFWSA-N 363.512 2.964 30 40 FFEB C=CCn1nnnc1SCC(=O)Nc1ccc(C)cc1Br 52895124 RLCRHSXEKKJHMD-UHFFFAOYSA-N 368.260 2.661 30 40 FFEB C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1cnn(C)c1 95953626 PGOANZIFTAJFOW-CQSZACIVSA-N 357.483 2.885 30 40 FFEB C#CCn1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c2ccccc21 409368548 BKCYUOYZNFSMQF-QXSPMSJVSA-N 369.424 2.662 30 40 FFEB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)C2(C#N)C#N)cc1 218103703 SAHCEUBHALDEOM-MSOLQXFVSA-N 352.415 2.977 30 40 FFEB Cc1oc(-c2nc(C#N)c(NC(C)(C)C)o2)cc1S(=O)(=O)N(C)C 40287985 MQVXAJOWDBKWDY-UHFFFAOYSA-N 352.416 2.575 30 40 FFEB COc1c2c(cc3c1[C@@H](C/C(=N/O)c1ccncc1)N(C)CC3)OCO2 20111929 OMVVQWWNTLLIGV-XWCAUFEOSA-N 355.394 2.617 30 40 FFEB biogenic O=C(O)COc1ccccc1/C=N/n1c(-c2ccccc2)n[nH]c1=S 1478050 HLOSHADYHWSPDM-VCHYOVAHSA-N 354.391 2.953 30 40 FFEB N#Cc1nc(-c2ccccc2)oc1N1CCN(CCc2ccccn2)CC1 11914608 NSZJDEUFGKDIIP-UHFFFAOYSA-N 359.433 2.973 30 40 FFEB N#Cc1c(NC(=O)[C@H]2CCS(=O)(=O)C2)sc2c1-c1ccccc1CC2 89857663 XWESMFKKMZHHPN-LBPRGKRZSA-N 372.471 2.759 30 40 FFEB COC(=O)COc1ccccc1/C=N/c1ccc(N2CCOCC2)cc1 408931375 KVRZBCMWPGOGKZ-KGENOOAVSA-N 354.406 2.826 30 40 FFEB C=CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(OC)cc1 224852976 CDQAZUKUKIMVIK-UHFFFAOYSA-N 361.419 2.863 30 40 FFEB N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2ccc(F)cc2Cl)C1 225482826 NLEPFKPXSSIINB-LBPRGKRZSA-N 360.776 2.824 30 40 FFEB COc1ccccc1/C=N\N1CCN(/N=C/c2ccccc2OC)CC1 17422642 UQZOCFQZJNFZPY-KBNZVFGVSA-N 352.438 2.689 30 40 FFEB C/C(=N\NC(=S)NCc1ccccc1)c1ccc(N2CCOCC2)cc1 5119860 AMGVDZSXABYCEO-CJLVFECKSA-N 368.506 2.912 30 40 FFEB O=[N+]([O-])c1cc(S(=O)(=O)N/N=C2\CCc3ccccc32)ccc1Cl 5603642 VEKNRAJTIQBELW-SAPNQHFASA-N 365.798 2.877 30 40 FFEB CSc1ncc(C#N)c(N2CCC(Oc3nc(C)cnc3C)CC2)n1 2086962027 OZQMTZSGGQCGKQ-UHFFFAOYSA-N 356.455 2.525 30 40 FFEB Cc1cc(=O)[nH]c(N/N=C/c2ccc(OC(F)F)cc2OC(F)F)n1 12571427 GBXVUMWDWWUSOZ-KPSZGOFPSA-N 360.267 2.727 30 40 FFEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(OC)c1 1448301 OGOMUKDRFHWVBU-MRXNPFEDSA-N 373.405 2.558 30 40 FFEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)cc1C 5370116 JZQKUAAJOICTFM-PLDZJGDPSA-N 366.508 2.705 30 40 FFEB COc1cc(/C=C2\CS(=O)(=O)c3ccc(F)cc3C2=O)cc(OC)c1 8777193 PSCJOBZGLRSAML-LFYBBSHMSA-N 362.378 2.897 30 40 FFEB COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(N(C)C)C[C@H]1C)C2=O 524731756 JQEUZYNMXMWLSO-LZVRBXCZSA-N 365.813 2.726 30 40 FFEB biogenic N#Cc1cc2cc3c(cc2nc1SCC(=O)NC1CCCC1)OCO3 35315966 CYZKUSAVSWRZSA-UHFFFAOYSA-N 355.419 2.986 30 40 FFEB COC1(OC)N=C(N)[C@@]2(C#N)[C@H](c3cccc(Oc4ccccc4)c3)[C@]12C#N 100168652 XVNXFLCFBRUWDE-SXLOBPIMSA-N 374.400 2.913 30 40 FFEB Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccccn2)s1 13725437 DXTHUVFFCOSRDN-CYBMUJFWSA-N 368.374 2.617 30 40 FFEB Cc1cc(OCC(=O)Nc2ccc(C#N)cc2)nc(N2CCCCC2)n1 21360288 UPHVODIBRITMQE-UHFFFAOYSA-N 351.410 2.665 30 40 FFEB Cc1noc(C(C)C)c1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 32738215 RAVJKHKRUQVZMV-UHFFFAOYSA-N 352.438 2.936 30 40 FFEB N#Cc1cnc(SCC(=O)Nc2cccc(Cl)c2Cl)nc1N 7045650 CUCQHNUPYXRQNS-UHFFFAOYSA-N 354.222 2.968 30 40 FFEB C=C(C)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 9061328 AXQFWLLISVKKMG-UONOGXRCSA-N 356.900 2.991 30 40 FFEB N#Cc1ccc(N2CCC3(CC2)Cn2c(-c4cccnc4)cnc2CO3)nc1 306133270 MHACHPNHSQXOAD-UHFFFAOYSA-N 372.432 2.781 30 40 FFEB Cc1ccc(N=C[C@@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1C 408530375 FEWWQVBAMLAHGY-DIECFANBSA-N 353.422 2.889 30 40 FFEB CC(O)=C1C=CC(=NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)C=C1 409415257 ITPYZCGTILZVOE-UHFFFAOYSA-N 374.462 2.995 30 40 FFEB C#CCn1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c2ccccc21 250651023 MAQJTHBQMNTUDO-YBSAJQQWSA-N 357.413 2.806 30 40 FFEB Cc1cc(C)c(C#N)c(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1 610510649 XTSQTSHJXQAWND-UHFFFAOYSA-N 366.440 2.991 30 40 FFEB C[C@@H](NCc1cc(O)n2ncc(C#N)c2n1)c1nc2ccccc2s1 1642620847 LZVFHRZLWUMJRP-SNVBAGLBSA-N 350.407 2.767 30 40 FFEB C=CCOC(=O)c1ccc(-c2ccc(/C=C3\NC(=S)NC3=O)o2)cc1 5639008 BCJLNFKPXPLPBT-UVTDQMKNSA-N 354.387 2.635 30 40 FFEB NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccccc2)S1 2728491 RESRNFNOAYHERG-XOMICKMZSA-N 353.447 2.736 30 40 FFEB O=[N+]([O-])c1cccc(N/N=C\CCC/C=N\Nc2cccc([N+](=O)[O-])n2)n1 8616947 SJVUOPDWIYRTPG-APGQMXJTSA-N 372.345 2.959 30 40 FFEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 101317254 ULZMFLOMHBUJAE-YXEAAEFPSA-N 372.899 2.742 30 40 FFEB O=S(=O)(Cc1cc(-c2ccccc2)no1)/N=C(\O)C1CCOCC1 58107245 AOJLFVXIIVBIAM-UHFFFAOYSA-N 350.396 2.555 30 40 FFEB Cn1c(=O)n(CCC(=O)Oc2ccc(C#N)cc2Cl)c2ccccc21 12949706 QURSTGVBZZEJJX-UHFFFAOYSA-N 355.781 2.861 30 40 FFEB NC(=O)COc1ccccc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 16449474 DRESDNOPELSWTJ-UHFFFAOYSA-N 367.401 2.679 30 40 FFEB N#Cc1cccc(C(=O)N2CC3(C2)OCC[C@H]3COCC2CCCC2)c1 306132381 LGZVIFVGXJYZEO-IBGZPJMESA-N 354.450 2.996 30 40 FFEB C#CCN1CCC[C@H]1C(=O)Nc1ccc(OC)c(OCc2cccnc2)c1 72269971 QRJZIWBDDHPGKK-SFHVURJKSA-N 365.433 2.705 30 40 FFEB COc1cccc(N=C[C@H]2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 408530349 FCXFSQCWPUKNCR-INIZCTEOSA-N 351.362 2.605 30 40 FFEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(Br)s1 409404587 DVTWOJCWLQGSBK-RJVLYZLMSA-N 351.225 2.652 30 40 FFEB COc1ccccc1CN/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 20762591 IUNKBJLNWDLMET-KGENOOAVSA-N 370.409 2.564 30 40 FFEB N#Cc1ccc(CS(=O)(=O)N2CCOC[C@@H]2c2cccc(F)c2)cc1 594868029 GMQFQRNXVDZDLV-GOSISDBHSA-N 360.410 2.601 30 40 FFEB N#CCCN(Cc1ccccn1)C(=O)c1cc(C(F)(F)F)cnc1O 602091566 KUTYPENGTPGQCO-UHFFFAOYSA-N 350.300 2.757 30 40 FFEB C=CCc1cc(C(=O)O[C@H](C(N)=O)c2ccccc2)cc(OC)c1OC 10764429 HIXUIDGPDAFKBD-SFHVURJKSA-N 355.390 2.816 30 40 FFEB N#Cc1ccc(N2C[C@H]3CN(C(=O)C4(c5ccccc5)CC4)C[C@@H]3C2)nc1 1889149179 USSZMVRCZUKYLR-ROUUACIJSA-N 358.445 2.580 30 40 FFEB C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(O)c1 58225247 XKYYRRJRYDSWIG-CQSZACIVSA-N 350.422 2.753 30 40 FFEB CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCC(=O)O 409090145 LMWMQMIBMCYGGR-GDNBJRDFSA-N 367.357 2.893 30 40 FFEB C[C@]1(c2cccc(C#N)c2)NC(=O)N(CCC(=O)c2ccc(F)cc2)C1=O 92870292 RJDNIGPSOJFUAD-HXUWFJFHSA-N 365.364 2.737 30 40 FFEB C=C(C)Cn1cnc2c(sc3nc(N4CCOCC4)cc(C)c32)c1=O 71281672 CTZUPOVQSBQGRY-UHFFFAOYSA-N 356.451 2.727 30 40 FFEB CCOC(=O)NC(O/N=C(/N)c1ccccc1)(C(F)(F)F)C(F)(F)F 5790910 MINHOFJUSSCCPC-UHFFFAOYSA-N 373.253 2.891 30 40 FFEB Cc1ccc(-n2c(=O)c(C#N)cc3c(=O)n4cccc(C)c4nc32)c(C)c1 6809453 GXSIVKCNMWQSSW-UHFFFAOYSA-N 356.385 2.796 30 40 FFEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(I)o2)nc1 408748676 BQWGMYKFMVCODW-MLPAPPSSSA-N 358.095 2.633 30 40 FFEB Cc1c(OC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cccc1[N+](=O)[O-] 1318036073 LLPMBPVTBBJFTP-AWEZNQCLSA-N 365.345 2.733 30 40 FFEB N#Cc1cnc(N2CC(n3nc(-c4ccccc4)ccc3=O)C2)c(Cl)c1 1775972533 JOMCKVYDEVXSDQ-UHFFFAOYSA-N 363.808 2.892 30 40 FFEB C#CCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(NC(C)=O)ccc21 100875819 QFILXPAHFVAISU-ATJXCDBQSA-N 374.425 2.907 30 40 FFEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc(O)c1)c1ccco1 795083 JVRPUWHQGRCGHT-WMLDXEAASA-N 369.373 2.743 30 40 FFEB CC(C)(C)NC(=O)CSc1nc2cc3c(cc2cc1C#N)OCCO3 1354927 BZBACNPWGWYOCN-UHFFFAOYSA-N 357.435 2.884 30 40 FFEB C=CCn1c(SCC(=O)NC(=O)NCC(C)C)nnc1-c1ccccc1 3532259 SNJOZKQRRVZUDB-UHFFFAOYSA-N 373.482 2.705 30 40 FFEB COc1cccc(OCc2nnc(SCc3cccc(C#N)c3)n2N)c1 22988415 FHKOIXSLXCLERC-UHFFFAOYSA-N 367.434 2.743 30 40 FFEB C=C(Cl)Cn1nc2n(CCCOC)c(=O)c3ccccc3n2c1=S 95469478 PBSDADJQPBLQAS-UHFFFAOYSA-N 364.858 2.969 30 40 FFEB N#Cc1nc(NC(=O)c2cc(Br)ccc2Cl)[nH]c1C#N 12544334 SAHJZOPLKWDTSS-UHFFFAOYSA-N 350.563 2.821 30 40 FFEB CC(C)C[C@H](C(=O)[C@@H](C#N)c1ccccn1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 13134666 MOKBSNJGNVFRFU-UIBIWLFHSA-N 365.433 2.624 30 40 FFEB CCCCc1nc(N2CCN(C(C)=O)CC2)c(C#N)c2c1COC(C)(C)C2 13510460 RJDROBPDHFVRCP-UHFFFAOYSA-N 370.497 2.816 30 40 FFEB COc1ccc(-n2cccc2C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 409409739 WQKUBNVQZGEVTF-KODHJQJWSA-N 361.401 2.627 30 40 FFEB O=C1N/C(=N\N=C\c2cccc([N+](=O)[O-])c2)S[C@@H]1Cc1ccccc1 4791592 VGHUZGIDDKPWLU-CLXYIWAZSA-N 354.391 2.759 30 40 FFEB C[C@@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1cccc(C#N)c1 5988933 UWUCFRZLLFQOGX-GFCCVEGCSA-N 352.346 2.513 30 40 FFEB CC(C)Oc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 409409738 WQKKNZAGANVDOC-MGBSGCIJSA-N 369.377 2.523 30 40 FFEB C=CCN1C(=O)/C(=N/N=C/c2cc([N+](=O)[O-])ccc2O)c2ccccc21 17264670 DFWIKYAFNAQZKY-HPCQEULDSA-N 350.334 2.656 30 40 FFEB CCOC(=O)c1nnn(/N=C\c2ccccc2)c1OCc1ccccc1 33337962 YZYRELHTHVXRFR-MOSHPQCFSA-N 350.378 2.916 30 40 FFEB N#Cc1ccc(C(=O)N2CCc3onc(COc4cccnc4)c3C2)cc1 96260044 PDKINASHAVYOOM-UHFFFAOYSA-N 360.373 2.719 30 40 FFEB CC(=O)OCC1=C(COC(C)=O)C(=O)c2cc3ccccc3cc2C1=O 5639786 CIOPYFODBOVMEK-UHFFFAOYSA-N 352.342 2.642 30 40 FFEB CC[C@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)N(C)CC#N 5433627 OLKLNRALXJZQCN-HOTGVXAUSA-N 359.470 2.621 30 40 FFEB biogenic,in-vitro COc1ccc2c(c1)CCC[C@@]21NC(=O)N(Cc2ccc(C#N)cc2)C1=O 12780243 BKZDPZWVNJXSGZ-OAQYLSRUSA-N 361.401 2.850 30 40 FFEB CN(CN(C)/N=C/c1ccc([N+](=O)[O-])cc1)/N=C\c1ccc([N+](=O)[O-])cc1 18062225 BUDVXIAFIOUQOL-VHVWWYSBSA-N 370.369 2.692 30 40 FFEB O=C(NC1(C#Cc2cncc(C(=O)N3CCCC3)c2)CCCCC1)C1CC1 12337534 HWVQNZBDSDKNAU-UHFFFAOYSA-N 365.477 2.898 30 40 FFEB CN(Cc1ccccc1F)C(=O)C1CCN(c2ccc(C#N)cn2)CC1 40033495 NHFNYPZFWUCXMJ-UHFFFAOYSA-N 352.413 2.967 30 40 FFEB COc1cc(OC)c([C@@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)cc1OC 12348471 LKQPLNWTBFDSKP-OAHLLOKOSA-N 371.393 2.706 30 40 FFEB COc1cc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3ncnn32)cc(OC)c1OC 9087067 NHOWQSUJEXBSLN-BTDLBPIBSA-N 370.409 2.572 30 40 FFEB O=c1c2ccccc2ncn1CCC/C(O)=N/c1nc(C(F)(F)F)n[nH]1 26252952 HHFQMJDRTMOTIJ-UHFFFAOYSA-N 366.303 2.602 30 40 FFEB N#Cc1ccc(N2CCC(C(=O)NCCc3cccc(F)c3)CC2)nc1 12756072 WXBRSAPJFMJOKS-UHFFFAOYSA-N 352.413 2.668 30 40 FFEB CCOC(=O)c1c(Cn2nc(C)c(C)c(C#N)c2=O)oc2ccccc12 58355535 LZVUKSQVFXZLNV-UHFFFAOYSA-N 351.362 2.703 30 40 FFEB C[C@@H](Sc1nnc(-c2ccncc2)n1C)C(=O)Nc1ccccc1C#N 3534257 SBFOWVWVNKCESS-GFCCVEGCSA-N 364.434 2.868 30 40 FFEB CCN1C(C(C)=O)=C(OC(=O)c2ccccc2)c2ccccc2S1(=O)=O 9306151 PQUXWNQZDMWAEY-UHFFFAOYSA-N 371.414 2.825 30 40 FFEB Cc1nn(CC(=O)c2cc(C)n(Cc3ccco3)c2C)c(=O)c(C#N)c1C 7442182 AFEPTDUASTWRSJ-UHFFFAOYSA-N 364.405 2.674 30 40 FFEB C#CCOc1ccc(OC)cc1/C=N/NCc1ccc(OC)c(OC)c1 20195696 RHXJNPGSYFEFCA-HYARGMPZSA-N 354.406 2.848 30 40 FFEB CCOc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408532665 ISUTVOAZCKUELB-CQSZACIVSA-N 369.352 2.826 30 40 FFEB Fc1cc(/C=N\NC(=S)Nc2ccccc2)ccc1N1CCOCC1 409133137 MQZQFISWJHWMHR-MOSHPQCFSA-N 358.442 2.983 30 40 FFEB N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2nc3ccccc3s2)C1 225483050 NWNTUGVZULOJQX-LBPRGKRZSA-N 365.418 2.642 30 40 FFEB Cc1nc2ccc(OCC3CCN(c4cccc(C#N)n4)CC3)nn2c1C 1888875564 CEIGNTQHMBONDD-UHFFFAOYSA-N 362.437 2.908 30 40 FFEB C=CCn1cc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)c(C)n1 72339796 KETOUXISYSHMJZ-MRXNPFEDSA-N 365.485 2.690 30 40 FFEB C=C(C)CN(CC)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 6035587 LBDYMSDJDDUOST-UHFFFAOYSA-N 361.423 2.982 30 40 FFEB COCc1cc(C)nc(N2CCN(c3ccc(OC)cc3)CC2)c1C#N 25766610 PMYPVRQANVVRDP-UHFFFAOYSA-N 352.438 2.743 30 40 FFEB C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1cccc(C(=O)OC)c1 3263586 AIFJGXUHGUCVMT-UHFFFAOYSA-N 361.419 2.863 30 40 FFEB CC1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)Nc1cccc(C#N)c1 71769063 XEZANGRMEUAJJL-UHFFFAOYSA-N 364.380 2.703 30 40 FFEB CN1CCC(CNc2ccc([N+](=O)[O-])cc2C#N)(N2CCCCC2)CC1 95962010 XGBHBOYRZPOARS-UHFFFAOYSA-N 357.458 2.829 30 40 FFEB N#Cc1cccc(NC(=O)c2cnc3sc4c(n3c2=O)CCCC4)c1 223040870 AIOGLNXZLIKURJ-UHFFFAOYSA-N 350.403 2.759 30 40 FFEB Cc1nnccc1N=C(O)CN1C(=O)[C@@]2(C[C@@H](C)CC(C)(C)C2)N=C1O 329246271 AQBLPQDFNYPZKQ-VOJFVSQTSA-N 359.430 2.714 30 40 FFEB O=S(=O)(c1cc(F)ccc1NCC#Cc1ccccn1)C(F)(F)F 95455216 BKIYKBMNLIUVKZ-UHFFFAOYSA-N 358.316 2.978 30 40 FFEB N#Cc1ccc(F)c(CS(=O)(=O)N2CCO[C@H](c3cccs3)C2)c1 164526922 NHDRHAZHHIBSIT-HNNXBMFYSA-N 366.439 2.662 30 40 FFEB N#CC1(C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccncc2)C3)CCCC1 1565556149 OHFQHZPWYPKNLY-UHFFFAOYSA-N 366.465 2.507 30 40 FFEB CN(CCC#N)c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 3263483 JANPBMVCLWPFDG-AQTBWJFISA-N 360.442 2.807 30 40 FFEB COc1ccc(OC)c(N2C[C@H](C(=O)Nc3sccc3C#N)CC2=O)c1 32796458 VMYCBMRUYLYYSP-GFCCVEGCSA-N 371.418 2.629 30 40 FFEB COC(=O)CN(C/C(O)=N/c1ccccc1[N+](=O)[O-])Cc1ccccc1 47628381 FDTJIOGCDQVQDX-UHFFFAOYSA-N 357.366 2.858 30 40 FFEB CC(=O)c1ccc2c(c1)CCN([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 677380045 PJUKGMXWXDPPQZ-JOCHJYFZSA-N 373.456 2.967 30 40 FFEB O=C1COc2ccc(C(=O)/C=C/c3cc(F)cc4c3OCOC4)cc2N1 9834575 RTVZYKXXQVNNTQ-HNQUOIGGSA-N 355.321 2.919 30 40 FFEB C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1c(C)nc(C)[nH]c1=O 40145085 FGVOMSOZDBCFEJ-UHFFFAOYSA-N 351.859 2.859 30 40 FFEB CSc1nc2ccsc2c(=O)n1CC(=O)Nc1cccc(C#N)c1 57505149 PCWAPIHIVWSMIL-UHFFFAOYSA-N 356.432 2.690 30 40 FFEB C[C@]1(c2cccc(C#N)c2)NC(=O)N(CCOc2cccc(F)c2)C1=O 60346534 YTRPWMVFJKCKOS-LJQANCHMSA-N 353.353 2.543 30 40 FFEB N#CCCN(C(=O)CSc1nnc2ccccn12)c1ccccc1F 6114908 BHDMRAXMOXKVOQ-UHFFFAOYSA-N 355.398 2.907 30 40 FFEB Cc1ccc2c(C)nc(N=C3NCN(CCc4ccccc4)CN3)nc2c1 19320759 PQEHCZXURZXUJR-UHFFFAOYSA-N 360.465 2.887 30 40 FFEB O=S(=O)(Cc1cc(-c2ccccc2)no1)/N=C(\O)C[C@H]1CCCO1 71844000 GORJYVJOPHNDCI-CYBMUJFWSA-N 350.396 2.697 30 40 FFEB C=CCN1CCC[C@@]12CCCN(S(=O)(=O)c1cccc(OC)c1)C2 96214833 QTMBYJRVCWBPCQ-SFHVURJKSA-N 350.484 2.500 30 40 FFEB C=C1C(=O)[C@]23[C@@H](OC(C)=O)[C@@H]1CC[C@H]2[C@@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O 257477102 LSUXOKVMORWDLT-OVFZRLNJSA-N 374.477 2.846 30 40 FFEB biogenic CCOC(=O)[C@H]1C(=O)C[C@@](O)(c2ccccc2)[C@@H](C#N)[C@@H]1c1ccccc1 4566125 LOACLDDBDOFPHY-WCCBULMPSA-N 363.413 2.950 30 40 FFEB COC(=O)[C@@H](c1ccccc1Cl)N1CC[C@@H](S)/C(=C\C(=O)O)C1 100070771 CWUDNVCEAAXNQA-BSLWVNCTSA-N 355.843 2.569 30 40 FFEB in-vitro COC(=O)c1cc(NC=C2C(=O)CC(C)(C)CC2=O)cc(C(=O)OC)c1 986239 OBJQXVNFJIFVBD-UHFFFAOYSA-N 359.378 2.514 30 40 FFEB CNC(=O)c1ccc(CN(CC(=O)Nc2cccc(C#N)c2)C2CC2)cc1 25188675 WEYFFNKKVVUKFI-UHFFFAOYSA-N 362.433 2.521 30 40 FFEB C[S@@](=O)[C@@H]1CCCC[C@]1(O)CSc1nc2c(cc1C#N)CCCC2 5353520 FWTFALTUGIYPJQ-YLNUKYHNSA-N 364.536 2.976 30 40 FFEB O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1N=Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1C[C@@H]31 408918134 GNGLISLAPJLWTP-JKPJVAMOSA-N 371.780 2.635 30 40 FFEB COc1cc(/C=C2\C(=O)ON=C2C)ccc1OS(=O)(=O)c1ccccc1 409086747 AZLCKAXGIZKPMJ-GDNBJRDFSA-N 373.386 2.779 30 40 FFEB O=C(C[C@@H]1S/C(=N/N=C/c2ccccc2O)NC1=O)c1ccccc1 12438368 IKJOZFOYAMZBMI-ZVCOJXFSSA-N 353.403 2.587 30 40 FFEB C=CCn1ncc(CN2CCC(c3cc(N)n4nc(C)cc4n3)CC2)c1C 12121580 BJAWVHWWQXMFRD-UHFFFAOYSA-N 365.485 2.690 30 40 FFEB N#Cc1c(NC(=O)Cn2cccc(C(F)(F)F)c2=O)sc2c1CCC2 31813452 QVXJCPUABNAAJI-UHFFFAOYSA-N 367.352 2.928 30 40 FFEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O 20795387 HTNRMTHMEPYVDM-IBGZPJMESA-N 367.792 2.862 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1F 102798635 VFQZQYLIWUZXHF-HVESIFNPSA-N 355.365 2.894 30 40 FFEB CSc1nc(N)nc(SCC(=O)N[C@H](C)c2ccccc2)c1C#N 1773268 KYALAVJYXRSEQX-SNVBAGLBSA-N 359.480 2.622 30 40 FFEB C=CCn1c(C)nnc1SCC(=O)c1c(C)[nH]c(C)c1C(=O)OCC 3448629 VPTHTFASVVNODQ-UHFFFAOYSA-N 362.455 2.869 30 40 FFEB COC1(OC)[C@@H](/C=C\c2ccc(Cl)cc2)C(C#N)(C#N)C1(OC)OC 13122220 WTXBTYXCVPLYNX-XMELGKRDSA-N 362.813 2.995 30 40 FFEB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1C=Nc1ccccc1Cl 408536154 PZIZOBCUWVGWRH-OHTBPHCPSA-N 359.813 2.926 30 40 FFEB C#CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 408810585 PLVVWLYYSFUMFF-DTQAZKPQSA-N 360.369 2.673 30 40 FFEB Cc1ccc(N2C(=O)[C@H](/C=N/c3ccccc3F)C(=O)NC2=S)cc1 408763770 USJABNUEFQWFSA-RNDVCUHJSA-N 355.394 2.901 30 40 FFEB C[C@H]1CN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@@H]4C[C@H]23)C[C@H](C)O1 35361381 ZHQRYBIJOKTXQH-CGUARYRNSA-N 363.498 2.623 30 40 FFEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1 32506821 SCSWXCGTHWKTOP-NHYXNVPJSA-N 366.508 2.787 30 40 FFEB COc1cccc(C[C@H](C)/N=C(/O)N2CCC(O)(C(F)(F)F)CC2)c1 330709810 SLLMFRDWSSACFB-LBPRGKRZSA-N 360.376 2.929 30 40 FFEB C/N=C1\S/C(=C\c2cc(OC)c(N3CCCC3)cc2OC)C(=O)N1C 18254933 PHTUFSVFQDRJJL-OHBWFZAWSA-N 361.467 2.836 30 40 FFEB C#CCNC(=O)[C@@H](C)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 40105850 LCYGPKRATSMXHZ-QGZVFWFLSA-N 354.494 2.918 30 40 FFEB COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccccc3C)c2)c1 3251494 VUINQZFNMGCOEB-UHFFFAOYSA-N 360.369 2.963 30 40 FFEB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CC#N)c2C)c1 3193533 QHNSGIYVJVKIDL-UHFFFAOYSA-N 354.362 2.764 30 40 FFEB CC(C)(C)NC(=O)c1ccc(NCC(=O)NC2(C#N)CCCCC2)cc1 24258469 NZCRFTILHFDLJS-UHFFFAOYSA-N 356.470 2.969 30 40 FFEB Cc1cc([C@@H]2CCCN2C(=O)C2CCN(c3ccc(C#N)cn3)CC2)on1 48248703 YAYOEGQUSXSDPH-KRWDZBQOSA-N 365.437 2.830 30 40 FFEB N#Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cc1 29778199 SVHUJVFBWABCGJ-UHFFFAOYSA-N 373.409 2.734 30 40 FFEB COc1cc(/C=N/Nc2ccc3nnc(-c4ccccc4)n3n2)ccc1O 4628431 PZTOKVRPRAYXBI-UDWIEESQSA-N 360.377 2.952 30 40 FFEB C/C(=N\N=C1\NC(=O)[C@@H](CC(=O)Nc2ccccc2C#N)S1)C(C)C 6995650 FTEVWDWNUBCIPJ-VPNURPJOSA-N 357.439 2.506 30 40 FFEB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)Oc1ccccc1C#N 7786187 SNUWKTHXCTYQDU-OAHLLOKOSA-N 351.406 2.697 30 40 FFEB N#Cc1ccc(S(=O)(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1 8059753 FHZVILQROHXINT-OAHLLOKOSA-N 362.476 2.990 30 40 FFEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CCOc2cccc(F)c2)C1=O 41701918 UVNGQHMAEKFBRD-IBGZPJMESA-N 353.353 2.543 30 40 FFEB O=C(O)C[C@@H]1S/C(=N\N=C\c2ccco2)N(c2ccc(F)cc2)C1=O 5025977 QLQPMTNUNYPAMW-QKKFEWQMSA-N 361.354 2.732 30 40 FFEB CCS(=O)(=O)c1ccc(/C=C\C=N\NC(=S)NCC(C)C)cc1 8652304 GAJGXBYKZDADFJ-KXXVGUNTSA-N 353.513 2.599 30 40 FFEB CC1=CC(=O)/C(=C\N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)C(=O)O1 8665314 XWRJSXFGIHCWRZ-ICVLXOKJSA-N 373.411 2.507 30 40 FFEB Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C#N)c1O 12598866 YFFDHXFWQMWJLR-NSHDSACASA-N 369.333 2.665 30 40 FFEB COC(=O)[C@H](c1ccccc1Cl)N1CCN(c2ccc(C#N)cn2)CC1 12733369 YBEZSZCBJNJLMK-SFHVURJKSA-N 370.840 2.643 30 40 FFEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1NCC1(O)CCCCC1 58214592 HRSHNNKWZDKFKQ-CYBMUJFWSA-N 354.410 2.517 30 40 FFEB Cc1ccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccccc2C#N)cc1 13042083 PNYYBQHJHJSLQE-OAHLLOKOSA-N 350.422 2.764 30 40 FFEB COc1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccc(C)cc2)cc1OC 19138822 RXUVQXVLEHOKNG-KRWDZBQOSA-N 353.374 2.878 30 40 FFEB C=CCN1C(=O)N=C(O)/C(=C/c2cc3c4c(c2)CCCN4CCC3)C1=O 8974922 UOMISYZJBCMESV-VBKFSLOCSA-N 351.406 2.874 30 40 FFEB C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)NCCC 6744016 FYWMRAPUELWSKR-UHFFFAOYSA-N 360.414 2.861 30 40 FFEB N#Cc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 408530995 GDGQOYUJODWOBX-HNNXBMFYSA-N 366.764 2.813 30 40 FFEB CCCCn1c(N)c2c(=O)n(CCCC)c3c(c2c(C#N)c1=O)CCC3 68754929 YISGIPOBVZXAND-UHFFFAOYSA-N 354.454 2.706 30 40 FFEB C=CCNC(=O)COC(=O)[C@@H](C)CC(=O)c1cccc(Br)c1 95962734 KPEAFUUBGVRAPN-NSHDSACASA-N 368.227 2.503 30 40 FFEB O=[N+]([O-])c1ccc(N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 408997300 MOEAVGWZEWWHKA-LDADJPATSA-N 371.353 2.786 30 40 FFEB C=CCNC(=O)COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1 33621075 NFIBEFWARSKJJN-UHFFFAOYSA-N 374.462 2.785 30 40 FFEB Cc1nnc(/N=C(\O)CN2CCC(O)(c3ccc(F)cc3)CC2)s1 36734928 RRAWWJPRTPOART-UHFFFAOYSA-N 350.419 2.557 30 40 FFEB N#Cc1cccnc1NCCNC(=O)c1cc(F)ccc1Br 47253307 XXRWCYGFLMFIGQ-UHFFFAOYSA-N 363.190 2.697 30 40 FFEB C#CC[C@H](CC(F)(F)F)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 583651295 KITJDJYECREYNH-GHMZBOCLSA-N 374.309 2.778 30 40 FFEB N#Cc1sccc1S(=O)(=O)N1CCOC[C@@H]1c1cccc(F)c1 585091903 COYZLIJSMXHQFE-CYBMUJFWSA-N 352.412 2.521 30 40 FFEB C=CCOC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 4908747 LUAULMSEBPVYAT-DDUZABMNSA-N 362.813 2.553 30 40 FFEB CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CCC2)cc1 102787733 WOEWADTZTWXHJV-SHUBJWRZSA-N 361.467 2.794 30 40 FFEB COc1ccccc1CNC(=O)[C@@H](C)O/N=C/c1ccc(OC)c(OC)c1 15392106 ZWUVSRLXAOHFJV-LVCXCXRVSA-N 372.421 2.768 30 40 FFEB C=CCn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)NC(=O)NC 8746370 CWXTWUSGGJOEGR-UHFFFAOYSA-N 364.858 2.937 30 40 FFEB CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C 90647725 UWMKPWKZGHRUQC-BHXCVROASA-N 358.478 2.831 30 40 FFEB C=CCn1/c(=N/C(=O)CSC(C)=O)sc2cc(OCC)ccc21 11634959 SHKAGSBRRUPAAP-MSUUIHNZSA-N 350.465 2.995 30 40 FFEB CCc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1C 9699243 DJMNJCKXXBTTDH-UHFFFAOYSA-N 361.496 2.920 30 40 FFEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OC)c(OC)c1)CC(=O)N2 4944347 UYQNBWWCAZOJSO-LLVKDONJSA-N 373.434 2.539 30 40 FFEB C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(S(C)(=O)=O)cc1 55891084 MXMASJNRGKTJFP-UHFFFAOYSA-N 359.447 2.927 30 40 FFEB N#Cc1cccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)c1 34953010 ONOLBDBAYONUIQ-LJQANCHMSA-N 362.433 2.913 30 40 FFEB COc1cc2c(cc1OC)[C@H]1CC(=O)NC3=C(CC(C)(C)CC3=O)N1CC2 2090873 CKJRSOQGKBOTFP-CQSZACIVSA-N 370.449 2.724 30 40 FFEB biogenic N#Cc1cccc(NC(=O)CNC(=O)c2cccc(Br)c2)c1 12907503 GFRAYLCYWKAJRT-UHFFFAOYSA-N 358.195 2.689 30 40 FFEB N#CCc1ccc(OC[C@H](O)CSc2nc(N)c3ccsc3n2)cc1 9221273 IDMIHUOWJJMQIM-LBPRGKRZSA-N 372.475 2.872 30 40 FFEB COc1ccc([C@@H](CC(=O)Nc2ccc(CC#N)cc2)NC(C)=O)cc1 14188751 VGTGZWJFDMRWBY-LJQANCHMSA-N 351.406 2.967 30 40 FFEB C=CCN1C(=O)/C(=C/c2cccc(OC)c2O[C@H](C)CC)C(=O)NC1=S 408903251 WKCFTOZUICWCMG-SLQMCABGSA-N 374.462 2.685 30 40 FFEB COc1ccc(/C=C2/Oc3cc(OCC(=O)O)ccc3C2=O)cc1OC 2138456 OYUZJJUVKBNAII-CAOOACKPSA-N 356.330 2.783 30 40 FFEB CCOc1ccc(/C=C/C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1OC 9552493 WVCMVSRTYWWFIP-CSNYQSHPSA-N 374.437 2.705 30 40 FFEB N#CCCN1C(=O)[C@@]2(CCC#N)CCCC[C@]2(O)N=C1c1ccccc1 1611221 QVFHXGFEIQBMLG-VQTJNVASSA-N 350.422 2.742 30 40 FFEB OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(O)(F)F 114839934 FOQAFBBXICTMGC-UHFFFAOYSA-N 366.054 2.561 30 40 FFEB C[C@](C#N)(NC(=O)COC(=O)CCC(=O)c1ccc(Cl)s1)C1CC1 4460838 ZFTDDUVMSHCFTF-MRXNPFEDSA-N 368.842 2.716 30 40 FFEB CC(=O)N1CCc2c(sc(NC(=O)c3ccc(N(C)C)cc3)c2C#N)C1 4189972 MYWBLYKUPYZNSQ-UHFFFAOYSA-N 368.462 2.843 30 40 FFEB C/C(=N/Cc1cccnc1)c1c(C)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O 100043267 OMDVVIZEKZSLDF-NDENLUEZSA-N 351.366 2.786 30 40 FFEB C=CCNS(=O)(=O)c1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1 32904723 BXXVHDRALSPAHJ-AWEZNQCLSA-N 356.447 2.742 30 40 FFEB CCOc1cc(/C=N/N=C(\N)c2ccccn2)cc(Br)c1O 6844691 QRAUSKCUFFSWKO-DJKKODMXSA-N 363.215 2.688 30 40 FFEB Cn1c(SC[C@H](O)COc2ccc(C#N)cc2)nnc1-c1ccccc1 10341343 YHLLGRUMPBQFST-MRXNPFEDSA-N 366.446 2.886 30 40 FFEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl 101299054 UACXWRDSGNZMLX-BREGNPSQSA-N 372.899 2.742 30 40 FFEB COc1ccccc1N1CCN([C@@H](C)C(=O)Nc2sccc2C#N)CC1 57389617 ZBWCQZDTRLADMN-AWEZNQCLSA-N 370.478 2.778 30 40 FFEB COc1cccc(N2CCN([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)c1 57406519 NFFSWWOPHMVIDI-MRXNPFEDSA-N 364.449 2.716 30 40 FFEB N#CCCN(C(=O)COC(=O)c1ccc2c(c1)OCO2)c1ccccc1F 28426827 NUSUMDNQWUKBQM-UHFFFAOYSA-N 370.336 2.658 30 40 FFEB CCc1ccccc1N1/C(=N/C(=O)C(C)C)S[C@@H]2CS(=O)(=O)C[C@@H]21 11907237 RAYFDGAOQZDYMO-PLDZJGDPSA-N 366.508 2.506 30 40 FFEB Cc1ccc(-n2nnnc2S[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1 8282816 ZIFGNGHMXZHCAE-CQSZACIVSA-N 370.482 2.794 30 40 FFEB COC(=O)Cn1c(SCc2cccc(C#N)c2)nc2ccccc2c1=O 8755848 PMTAQULRGLBQHI-UHFFFAOYSA-N 365.414 2.733 30 40 FFEB CC(=O)c1cccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)c1 408739633 DMHWPPZXRDHNLO-MBTVCVBTSA-N 365.414 2.656 30 40 FFEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc(OCc3cscn3)cc2)C(=O)O1 25061127 OCRIBTOXSLDTNP-WEBJUUICSA-N 369.398 2.950 30 40 FFEB C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(c2ccc(F)cc2)CC1 57405600 SDZJAPSZJSBCDK-OAHLLOKOSA-N 352.413 2.847 30 40 FFEB COc1ccc(/C=N\N2CCN(Cc3ccccc3)CC2)c(OC)c1OC 16677824 LJGNYSMRPNCQDB-JCMHNJIXSA-N 369.465 2.864 30 40 FFEB C#Cc1cccc(NC(=O)CNC(=O)[C@@H](C)Oc2ccccc2Cl)c1 40152076 ZZXQDGNOCIUAGV-CYBMUJFWSA-N 356.809 2.844 30 40 FFEB C[C@@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccc(F)cc1F 52497042 YNTGIIHAMHDQPH-CYBMUJFWSA-N 371.391 2.824 30 40 FFEB CC(C)[C@@](C)(C#N)NC(=O)COc1cccc(I)c1 32956349 NAPZIRSSHIQADN-CQSZACIVSA-N 372.206 2.724 30 40 FFEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(c2cccc(Cl)c2)CC1 84475263 DKXPNVGCKAHLRS-BEFAXECRSA-N 362.905 2.905 30 40 FFEB COc1ccc(CCCN(C)S(=O)(=O)c2ccccc2C#N)cc1OC 12747570 GHXWVVNGJHNGSO-UHFFFAOYSA-N 374.462 2.829 30 40 FFEB C[C@@]1(c2cccc(C#N)c2)NC(=O)N(Cc2cn3ccccc3c2C#N)C1=O 58214896 SFWNLMXSBDICPC-NRFANRHFSA-N 369.384 2.650 30 40 FFEB C[C@@H](NC(=O)CN1C(=O)CS/C1=C\C(=O)C(C)(C)C)c1ccccc1 13068624 JJYANERICYZYLO-CCOVPTLTSA-N 360.479 2.896 30 40 FFEB CC(=O)N1CCN(c2ccc(/N=C/c3cc([N+](=O)[O-])ccc3O)cc2)CC1 6304149 VDFLBHLBRGFBGV-DEDYPNTBSA-N 368.393 2.720 30 40 FFEB O=C1CSC(N/N=C/c2ccc(OC(=O)c3ccc(F)cc3)cc2)=N1 4613847 XCFFCLNTAOIJNN-DJKKODMXSA-N 357.366 2.598 30 40 FFEB CCOC(=O)Cc1csc(SCC(=O)Nc2sccc2C#N)n1 7507736 QFMOEXVLFUQVJW-UHFFFAOYSA-N 367.477 2.913 30 40 FFEB N#Cc1nc(COc2ccc(Cl)cc2)oc1NCCN1CCOCC1 19973723 YBXBVTKYGKBLLA-UHFFFAOYSA-N 362.817 2.523 30 40 FFEB C=CCOc1c(Cl)cc(/C=C2\NC(=S)N(CC)C2=O)cc1OC 409005950 HKWVUXOFMFGSSE-WQLSENKSSA-N 352.843 2.991 30 40 FFEB C=CCSCC(=O)N1CCC(OCCCNC(=O)OC(C)(C)C)CC1 75093845 VWRWGSYNDHQIPS-UHFFFAOYSA-N 372.531 2.828 30 40 FFEB CC[C@H](C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)cc1 245228646 AOXKYAADJHMDHQ-PIYAOJSRSA-N 366.508 2.643 30 40 FFEB N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)c2cc3ccccn3c2)CC1 252570992 XNESZVIJULAQGN-JCNLHEQBSA-N 361.405 2.721 30 40 FFEB Cc1cc(OC[C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)cc3)C2)ccn1 1775971052 VFRNIHAHKJBQBH-QGZVFWFLSA-N 371.462 2.741 30 40 FFEB N#Cc1cccnc1N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 1888849880 FYNIFMBDIYGFIH-KBPBESRZSA-N 359.355 2.940 30 40 FFEB CCOc1ccccc1/C=C1/SC(N2CCN(CCC#N)CC2)=NC1=O 20130805 NIZIYGZZZLTFRS-SAPNQHFASA-N 370.478 2.587 30 40 FFEB C[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(N)s3)c2C#N)C1 32838696 CETYTLGJVFHHFI-SSDOTTSWSA-N 365.509 2.909 30 40 FFEB O=C(N/C=N/OCc1ccc(Cl)cc1)C1CCN(c2ncccn2)CC1 3041939 FOCWRCRHCQRGFN-UHFFFAOYSA-N 373.844 2.623 30 40 FFEB CCOC(=O)/C=C1\CCC(/C=N/Nc2ccccc2)=C1N1CCOCC1 3261741 AGSBDCVWUMDFCN-PHGQEVFZSA-N 355.438 2.954 30 40 FFEB Cc1cccc(N2/C(=N\C(=O)C(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 101312348 GQXSFVCKKRVXRC-HJUNTIBCSA-N 366.508 2.643 30 40 FFEB CCN1CCN(C(=O)CC2CCN(c3cc(Cl)ccc3C#N)CC2)CC1 301264781 HIZAWEWLAQNGEM-UHFFFAOYSA-N 374.916 2.982 30 40 FFEB Cc1ccc(S(=O)(=O)OC[C@H](O)[C@H]2CCc3cc(F)ccc3O2)cc1 65748879 SRYHEPKRXGABEM-FUHWJXTLSA-N 366.410 2.594 30 40 FFEB in-vitro C=CCOc1ccc(NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1 408618494 KPDDBGKZVSDBOC-UHFFFAOYSA-N 374.462 2.965 30 40 FFEB N#Cc1ccc(CNC(=O)c2coc(Sc3ncccn3)n2)cc1F 1557028430 PRKLHKUPASTXNT-UHFFFAOYSA-N 355.354 2.557 30 40 FFEB N#Cc1ccccc1S(=O)(=O)N1CCN(C/C=C/c2ccccc2)CC1 35325981 WKEJSOMFSAYHOZ-RMKNXTFCSA-N 367.474 2.578 30 40 FFEB CCOC(=O)CN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(C)cc1 224688272 FUKFYDHGNXAISD-UHFFFAOYSA-N 372.446 2.820 30 40 FFEB N#Cc1cccc(CN2C[C@H](OCc3nc4ncccc4[nH]3)[C@H](F)C2)c1 96112142 PSNJQIIHDGKXAJ-WBVHZDCISA-N 351.385 2.569 30 40 FFEB biogenic,in-vitro N#Cc1cc2cccnc2nc1NC[C@@]1(O)CCN(Cc2ccccc2)C1 596145018 KHCULAJQOPOBSA-NRFANRHFSA-N 359.433 2.550 30 40 FFEB CC1=CC(=O)C(C(C)C)=C/C1=N\OS(=O)(=O)c1cccc([N+](=O)[O-])c1 5719243 KGGCCVZRUGOLQA-BMRADRMJSA-N 364.379 2.768 30 40 FFEB Cc1nc(C2CC2)nc(N2CCN(Cc3ccc(C#N)cc3)CC2)c1F 1888875626 YBAKMVVLFGWXOU-UHFFFAOYSA-N 351.429 2.995 30 40 FFEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)o2)cc1 104200653 BUINGMMZDZOTBR-GHNGSUTGSA-N 368.433 2.880 30 40 FFEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl 101299050 UACXWRDSGNZMLX-YXEAAEFPSA-N 372.899 2.742 30 40 FFEB Cc1ccc(S(=O)(=O)CCC(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1 12550369 BYMBRDSOQRLQRE-OAHLLOKOSA-N 367.430 2.912 30 40 FFEB O=C1C[C@H](c2ccccc2)n2nc(/N=C(\O)COc3ccccc3)nc2N1 2405315 BDWVEYZMRUPGIR-OAHLLOKOSA-N 363.377 2.877 30 40 FFEB C=CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1OC 5042757 MOPYKNXNQRNQKN-KRWDZBQOSA-N 360.410 2.840 30 40 FFEB C=CCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(OCC)c2O)C1=O 409095424 BDJQBMJIZHDFNR-KPKJPENVSA-N 350.352 2.921 30 40 FFEB O=C(NCC#CCN1CCc2ccccc2C1)NCc1ccc(F)cc1 75165067 YBBSGFOCPOWGRO-UHFFFAOYSA-N 351.425 2.687 30 40 FFEB COc1ccc2[nH]c3c(=O)n(/N=C/c4cccc([N+](=O)[O-])c4)cnc3c2c1 2275163 UTPJBKDIJRIWDJ-AWQFTUOYSA-N 363.333 2.677 30 40 FFEB C=CCn1c(CCN2CCCCC2)nnc1Sc1ncccc1C#N 32907707 VYZVALZSTKRRCW-UHFFFAOYSA-N 354.483 2.910 30 40 FFEB CCn1cc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCC3)cn1 2779808 ZPVFPXHAGRDGRL-UHFFFAOYSA-N 359.480 2.842 30 40 FFEB C#CCNS(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@@H](C)c2ccco2)c1 56182802 IOBVJVGXLPUDOI-AWEZNQCLSA-N 372.446 2.557 30 40 FFEB C=CCOc1cccc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c1 52410996 ILTZQBUAVJXAMN-UHFFFAOYSA-N 374.462 2.965 30 40 FFEB Cc1cc(-c2nnc(S)n2/N=C/c2ccccc2Br)[nH]n1 5625937 RXJALLCNAGLTLT-VIZOYTHASA-N 363.244 2.910 30 40 FFEB COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccc(C)cc3)c2)c1 5863795 RQBQKUOAXBEOBW-UHFFFAOYSA-N 360.369 2.963 30 40 FFEB N#C[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218384944 WNNAVPSUXGLJFG-YQQAZPJKSA-N 361.806 2.874 30 40 FFEB N#Cc1ccc(NC(=O)NC2CCN(CC3(O)CCCCC3)CC2)cc1 89781000 AAXZXSKMCMSIRH-UHFFFAOYSA-N 356.470 2.839 30 40 FFEB N#C[C@@]12C(N)=NC3(OCCO3)[C@]1(C#N)[C@H]2c1cccc(Oc2ccccc2)c1 55236768 MQQOEURYPNQMQJ-DFQSSKMNSA-N 372.384 2.667 30 40 FFEB CCOC[C@]1(C#N)[C@H](c2ccc(Br)cc2)[C@H]1S(C)(=O)=O 252514333 CKGXFOMIYWVMJF-MGPQQGTHSA-N 358.257 2.506 30 40 FFEB CCOC(=O)[C@](C)(/C=N/NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 1557341 UPLAEZJRLOKVSO-YFQSIASUSA-N 374.462 2.780 30 40 FFEB CC1=NN(C(N)=S)C(=O)/C1=N/Nc1ccc(Oc2ccccc2)cc1 100006005 IJQDAHKWEZWUOG-HMMYKYKNSA-N 353.407 2.709 30 40 FFEB CCOc1ccc([C@@H]2/C(=C(/C)O)C(=O)C(=O)N2Cc2cccnc2)cc1 102438008 PADIYGNVDJLJRB-VJSYINPZSA-N 352.390 2.965 30 40 FFEB C=CCOC(=O)c1cc(-c2ccc(/C=N/Nc3nn[nH]n3)o2)ccc1Cl 6185926 NNZCZXQGLHLFRG-GIJQJNRQSA-N 372.772 2.902 30 40 FFEB C[C@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1cccc(C#N)c1 5988931 UWUCFRZLLFQOGX-LBPRGKRZSA-N 352.346 2.513 30 40 FFEB C#CCOc1c(Br)cc(/C=C2/N=C(C)OC2=O)cc1OC 408811228 ACAHJAMSDUTEEM-KPKJPENVSA-N 350.168 2.786 30 40 FFEB N#CCc1ccc(NC(=O)c2cnc3sc4c(n3c2=O)CCCC4)cc1 223041689 GXGDMDAQMVOIOL-UHFFFAOYSA-N 364.430 2.953 30 40 FFEB Cc1nnccc1N=C(O)CN1C(=O)[C@@]2(C[C@H](C)CC(C)(C)C2)N=C1O 329246273 AQBLPQDFNYPZKQ-ZMZPIMSZSA-N 359.430 2.714 30 40 FFEB COc1cc(OC)c(OC)cc1CNC(=O)CSc1ccc(C#N)cc1 40150607 AZAXGJHGZODXKF-UHFFFAOYSA-N 372.446 2.993 30 40 FFEB C=CCN(CCc1ccccc1)C(=O)CNC(=O)c1cc(F)cc(F)c1 78697984 UPQZQVSCQQFMAN-UHFFFAOYSA-N 358.388 2.952 30 40 FFEB C/C(=N\NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1F 7942583 PPGWDRHVHVZJRY-GZTJUZNOSA-N 351.359 2.745 30 40 FFEB C=CCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 13583648 DZRMNMRRCDRJOQ-QLFBSQMISA-N 366.421 2.580 30 40 FFEB O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1)c1ccccc1 4192533 IDAWQJVAACQITB-IEAPLQLESA-N 372.471 2.602 30 40 FFEB COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc3c(c1)n(C)c(=O)n3C)C2 95472716 JXCCINYTFHXRPR-AUWJEWJLSA-N 364.401 2.717 30 40 FFEB N#Cc1nc(=NCC2(c3cccc(Br)c3)CCOCC2)cc[nH]1 579024367 HEQZTFNJWJSIOK-UHFFFAOYSA-N 373.254 2.693 30 40 FFEB N#Cc1nn(-c2ccccc2F)nc1N1CCN(Cc2ccccc2)CC1 256049403 ZRXYKNYSRPGCEE-UHFFFAOYSA-N 362.412 2.600 30 40 FFEB CCc1n[nH]c(=S)n1/N=C/c1cc2c(cc1Br)OCO2 8182903 YSMLRPGTPCGASV-LHHJGKSTSA-N 355.217 2.876 30 40 FFEB C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@@H](OC(=O)/C(C)=C\C)C[C@@]2(C)OC1=CC2=O 230106186 BITFKDUCQOBZDL-ZHMQSEFFSA-N 358.390 2.554 30 40 FFEB biogenic,in-vitro Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccccc2)cc1 19138478 QGHXVAOTRCRNLH-KSSFIOAISA-N 351.402 2.954 30 40 FFEB COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1[N+](=O)[O-] 1310965 ORGMGHFJVYOATB-CQSZACIVSA-N 372.377 2.695 30 40 FFEB C#CCNC(=O)c1ccc(NCCCc2nc3c(s2)CCCC3)nc1 72281435 HYWRDUOHHIXDDQ-UHFFFAOYSA-N 354.479 2.825 30 40 FFEB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1/C=N/Nc1ccccc1 408742370 QTRBXMIWGMYHJB-FVOVHSBVSA-N 372.837 2.802 30 40 FFEB N#CCCN(CCN1CCOCC1)Cc1ccc(F)c(Br)c1 72308634 NVMYNSWDWIBXID-UHFFFAOYSA-N 370.266 2.636 30 40 FFEB COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)Nc1cccc(C#N)c1 5700982 POWLEABXVJQFFT-LBPRGKRZSA-N 352.394 2.964 30 40 FFEB CCOc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(C)=O)CC3)o2)cc1 21799824 RIKNQZBJPJKPGH-RMKNXTFCSA-N 366.421 2.784 30 40 FFEB C=CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Cl)c(O)c(OC)c1 3100920 XWLHVWXIULQUQO-CQSZACIVSA-N 366.801 2.754 30 40 FFEB C=CCOc1ccc(CN(C)S(=O)(=O)c2ccsc2C(=O)O)cc1 24749246 ZTFZTDYIIMDUEG-UHFFFAOYSA-N 367.448 2.832 30 40 FFEB C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 56207121 NAYTYNLIIXJKQZ-HUUCEWRRSA-N 367.424 2.867 30 40 FFEB CC(C)Oc1ccc(S(=O)(=O)N(CCC#N)CC(F)(F)F)cc1 97117309 OSDBCCVAPSMMAC-UHFFFAOYSA-N 350.362 2.940 30 40 FFEB CCN(CC)Cc1ccc(CNS(=O)(=O)c2ccc(C#N)cc2)cc1 14165558 UBSQREKHAJQZLR-UHFFFAOYSA-N 357.479 2.879 30 40 FFEB CSc1nc2n(n1)[C@@H](c1ccccc1[N+](=O)[O-])C1=C(CCCC1=O)N2 4716098 MKTMLGDWVZVHBA-AWEZNQCLSA-N 357.395 2.930 30 40 FFEB C=CCN1C(=O)CCC[C@]12CCCN(S(=O)(=O)Cc1ccccc1)C2 96229965 WMJHLYLMMCQOIA-LJQANCHMSA-N 362.495 2.550 30 40 FFEB Cc1ccccc1CN(C)C(=O)CN1C(=O)CS/C1=C\C(=O)C(C)(C)C 24972721 ARBRNGYYJWNRPQ-GRSHGNNSSA-N 374.506 2.985 30 40 FFEB CC1(C)OB([C@@H]2CCN(C(=O)COc3cccc(C#N)c3)C2)OC1(C)C 1776007807 XYXAQSMPGLEGDK-OAHLLOKOSA-N 356.231 2.632 30 40 FFEB COc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCOCC3)C2=O)c1 22625779 BGTSCFXEUNJSOB-UNOMPAQXSA-N 367.401 2.849 30 40 FFEB CCCCN/C(O)=N/S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 40050250 UFFTXAWTESGJNP-UHFFFAOYSA-N 355.460 2.664 30 40 FFEB CCCCN1C(=O)[C@](NC(=O)CC(C)C)(C(F)(F)F)C(C(C)=O)=C1C 12419953 DIXARNUDINBGAY-INIZCTEOSA-N 362.392 2.955 30 40 FFEB C=CCn1c(=O)c2ccccc2n2c(SC[C@@H]3CCCCO3)nnc12 3365143 HOCFXRIHRZTJSG-ZDUSSCGKSA-N 356.451 2.891 30 40 FFEB C=CCn1c(=O)c2ccccc2n2c(SCC(=O)C(C)(C)C)nnc12 3590554 VYRRUVAKVZOLRA-UHFFFAOYSA-N 356.451 2.938 30 40 FFEB C[C@H](C#N)Oc1ccc(CN2CCC(c3ccnn3CCO)CC2)cc1 92811183 UWKJIDRLVJBYEH-MRXNPFEDSA-N 354.454 2.546 30 40 FFEB N#Cc1cc(I)cc(I)c1 4014188 REFGPPPOXDYZBH-UHFFFAOYSA-N 354.916 2.767 30 40 FFEB O=[N+]([O-])c1cccc(S(=O)(=O)N/N=C/c2ccc(OC(F)F)cc2)c1 4863607 DEVKDUGLUIUHTH-RQZCQDPDSA-N 371.321 2.509 30 40 FFEB C=CCn1c(C)nnc1SCC(=O)N1c2ccccc2NC(=O)C1(C)C 4936471 SSLFTVUKBRRKSJ-UHFFFAOYSA-N 371.466 2.629 30 40 FFEB CCO[C@H](C)c1noc(CN2CCCN(Cc3ccccc3C#N)CC2)n1 75861906 ASGJXHYLTDBSFU-MRXNPFEDSA-N 369.469 2.747 30 40 FFEB C=CCN1CCC2(CC1)C[C@H](NC(=O)c1ccnnc1)c1ccccc1O2 96242781 SSKHZVBXDZQZTF-SFHVURJKSA-N 364.449 2.751 30 40 FFEB CC1(NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)COC1 602799758 SSYIZWNHPJLDFT-UHFFFAOYSA-N 361.452 2.612 30 40 FFEB N#Cc1cccc(N2CCC[C@@]3(CN(C(=O)C4(F)CCC4)CCO3)C2)c1 1614929335 HPOKFFMWTVIIHO-IBGZPJMESA-N 357.429 2.648 30 40 FFEB O=C1C(=O)N2C(=C1C(=O)N1CCCCC1)c1ccccc1CC21CCCC1 2192433 XKNPEHRWLVAOSK-UHFFFAOYSA-N 364.445 2.690 30 40 FFEB biogenic COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2Cc2cccnc2)cc1OC 870980 KVSAREGDUKMAJH-GOSISDBHSA-N 368.389 2.583 30 40 FFEB N#Cc1c(N)c(C(=O)c2ccccc2)nn(-c2cccc(Cl)c2)c1=O 1087355 XPVGMZBCFXTZFW-UHFFFAOYSA-N 350.765 2.571 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN)[C@H]2c2ccccc2)cc1 19933714 ZGAUCPXVQHRMIG-SFHVURJKSA-N 366.417 2.622 30 40 FFEB Cc1nn(CC(=O)N2CC[C@H](C)Sc3ccccc32)c(=O)c(C#N)c1C 7384808 LTIIOSOGYQMTJW-LBPRGKRZSA-N 368.462 2.649 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 222372453 PYFMQUCYIDMEMK-OTKYVEGGSA-N 371.780 2.635 30 40 FFEB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(C#N)c2)cc1 222871738 PYIMUMDIJJCZTF-UHFFFAOYSA-N 371.462 2.818 30 40 FFEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(F)cc2F)CC1 40087055 QTSKTHGYRUQSPI-UHFFFAOYSA-N 358.348 2.664 30 40 FFEB Cc1ccc(Cl)c(OC(=O)Cc2c(C)nc3c(C#N)cnn3c2O)c1 40140527 AUZUJZYVKSDUCV-UHFFFAOYSA-N 356.769 2.725 30 40 FFEB O=S(=O)(/N=C(\O)[C@H]1COc2ccc(Cl)cc2C1)c1cccnc1 42322170 MWKAZZAMSNEBAY-LLVKDONJSA-N 352.799 2.632 30 40 FFEB Cc1cccc(N2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)c1C 12534765 BUYJHROTBKSYFT-FQEVSTJZSA-N 365.477 2.737 30 40 FFEB Cc1cc(C)n(-c2ccc(SCC(=O)Nc3ccc(C#N)cc3)nn2)n1 11068495 KBVJPIWYQHEBAK-UHFFFAOYSA-N 364.434 2.882 30 40 FFEB Cc1csc(=O)n1CCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 24507952 IFGREHHUSZXYJD-UHFFFAOYSA-N 368.380 2.795 30 40 FFEB C=CCNc1nc(C(=O)OCC(=O)c2[nH]c(C)c(C(C)=O)c2C)cs1 3567933 CMQBPFUUBPPLPH-UHFFFAOYSA-N 361.423 2.928 30 40 FFEB C=CCn1c(S[C@@H](C(=O)NC(N)=O)C(C)C)nnc1C1CCCCC1 9498412 OOILDPUOXANZOW-CYBMUJFWSA-N 365.503 2.823 30 40 FFEB C=CCN1C(=O)CCC[C@@]12CCCN(S(=O)(=O)c1ccc(C)cc1)C2 96229967 RVJCLHZGBPULFY-IBGZPJMESA-N 362.495 2.717 30 40 FFEB N#Cc1cccc(CN2C[C@H](OCc3nc4ccncc4[nH]3)[C@H](F)C2)c1 96112117 MGPCBUGABGGONG-QAPCUYQASA-N 351.385 2.569 30 40 FFEB biogenic,in-vitro Cc1cccc(N/N=C2/C(=O)N(C(N)=S)N=C2c2ccccc2)c1Cl 5520405 LNCBUPKWMZGYOT-RCCKNPSSSA-N 371.853 2.906 30 40 FFEB N#C[C@@H](C(=O)c1ccccc1SCC(N)=O)c1nc2ccccc2o1 41541170 AABAAEWPRGZGCV-LBPRGKRZSA-N 351.387 2.895 30 40 FFEB C=CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 3580167 TWAQBEJBEBTCEN-UHFFFAOYSA-N 351.431 2.780 30 40 FFEB Cc1cc(C)c(OC(=O)CN(C)S(=O)(=O)c2ccccc2C#N)c(C)c1 24836595 UOQSGXPQJMTLMS-UHFFFAOYSA-N 372.446 2.710 30 40 FFEB CCN1C(=O)C(CC(=O)O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1SC 62716328 KDAHOXCVAHCULR-INIZCTEOSA-N 353.827 2.845 30 40 FFEB N#Cc1nc(Cc2ccccc2)oc1N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 138162479 JEGRMYOGXQRVHB-DLBZAZTESA-N 372.428 2.922 30 40 FFEB C=C1C(=O)O[C@@H]2/C=C(/C)C[C@@H]3C=C(C[C@H](OC(=O)/C(C)=C\C)[C@@H]12)C(=O)O3 43511031 FTPHYXGWMIZVMP-BAJPKFKCSA-N 358.390 2.554 30 40 FFEB O=C(O/N=C1\C(=O)N(C(=O)c2ccco2)c2ccccc21)c1ccco1 2293568 RYXYUHJAVWKCQX-CYVLTUHYSA-N 350.286 2.621 30 40 FFEB C=CCN1C(=O)S/C(=C/c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)C1=O 13880884 PBJVLEXIMBLPKH-RSYJBZMQSA-N 363.391 2.769 30 40 FFEB N#C[C@@H]1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@@H]1c1ccccc1 19819343 SLRRQDIZISEYNS-LSDHHAIUSA-N 357.373 2.737 30 40 FFEB COc1ccc(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)cc1F 58216688 ZPLWEZUYNUWWAR-IBGZPJMESA-N 353.353 2.673 30 40 FFEB NC(=S)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 107583697 RZZNSFNGAMBYSJ-GIDUJCDVSA-N 369.200 2.784 30 40 FFEB CCOC(=O)Cc1csc(SCC(=O)Nc2cccc(C#N)c2)n1 3451057 FTQZHBPNJQFFIQ-UHFFFAOYSA-N 361.448 2.851 30 40 FFEB Cc1cc(-c2nnc(S)n2/N=C/c2cccc(Br)c2)[nH]n1 5625930 KRXXUAQGBMEKLD-VIZOYTHASA-N 363.244 2.910 30 40 FFEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/N=C/c3ccccc3)NC2=O)cc1 16956680 JHRWBGTXJLHTJF-DORSJAEJSA-N 366.446 2.945 30 40 FFEB C#C[C@@H](OC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)C1CC1 89261385 OGVAEUJWKMPILV-IUODEOHRSA-N 362.223 2.757 30 40 FFEB C[C@H](/N=C(/O)N1CCN2CCOC[C@@H]2C1)c1ccc(-c2ccncc2)cc1 329770606 GDMDUARYPNZNDR-JXFKEZNVSA-N 366.465 2.740 30 40 FFEB CN1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](Cc2ccccc2)C1 593090469 XUPCGPZMZBUVPG-FQEVSTJZSA-N 373.460 2.967 30 40 FFEB C#C[C@H](Cc1ccccc1)OC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 95444248 NQYROHFVTMTSMW-WOJBJXKFSA-N 362.429 2.722 30 40 FFEB N=C(/N=c1/nc2ccccc2c(O)[nH]1)/N=C/c1ccc(Br)cc1 16525459 MJSGHKDAFAPOIH-DJKKODMXSA-N 370.210 2.986 30 40 FFEB C=CCNc1nc(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc3C2)cs1 5040246 LHQICZFUGRJILR-ZDUSSCGKSA-N 371.462 2.871 30 40 FFEB COC(=O)c1oc(CO/N=C/C(=O)Nc2ccc(F)cc2F)cc1C 40156688 YNNBHRNBDWOWCE-FBCYGCLPSA-N 352.293 2.794 30 40 FFEB N#Cc1nc(/C=C/c2ccc(F)cc2)oc1NCCCN1CCOCC1 20868130 PTBHLDAQEXHWJY-QPJJXVBHSA-N 356.401 2.990 30 40 FFEB CN1CCc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C#N)C1 870843 DOJFDDPYVDDMRB-UHFFFAOYSA-N 356.476 2.734 30 40 FFEB COc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3cccc(C)c3)C2=O)c1 408531977 HRNHNOBCUKORMH-INIZCTEOSA-N 351.362 2.605 30 40 FFEB COC(=O)Cn1cc(/C=N/NCc2ccccc2OC)c2ccccc21 20763507 WZNPNURQMWVUTG-WSDLNYQXSA-N 351.406 2.947 30 40 FFEB Cc1cccc(-n2nnnc2SCC(=O)Nc2sccc2C#N)c1C 15512478 PRYIDKAUCBFWLW-UHFFFAOYSA-N 370.463 2.943 30 40 FFEB CCCN[C@@H](c1ccc(/C=N/NC(=N)N)cc1)C(Cl)(Cl)Cl 1667983 CGHUFJUVOKWNPJ-FEQLDZPWSA-N 350.681 2.914 30 40 FFEB C=CCCS(=O)(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1C1CC1 1664820617 WUBLRWQVKKWBRV-GOSISDBHSA-N 351.468 2.919 30 40 FFEB 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360.874 2.754 30 40 FFEB C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F 5800281 HSZXRSVFPWWVTD-PXAZEXFGSA-N 355.365 2.785 30 40 FFEB Nc1nc(=O)c2c([nH]1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(F)cc1 13598487 VYQBGGOFHGLBCQ-CYBMUJFWSA-N 360.348 2.656 30 40 FFEB N#CCCN(CCC#N)C(=O)CN1CCn2cccc2[C@H]1c1ccccc1 54988988 WDUAFZQFMLDTRC-OAQYLSRUSA-N 361.449 2.549 30 40 FFEB N#Cc1ccc(NCC(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)cc1 58244741 FOJUHQBXPKKHJD-UHFFFAOYSA-N 371.404 2.501 30 40 FFEB CC(C)c1nc(OCC(=O)N2CCCC2)c(C#N)c2c1COC(C)(C)C2 13689775 LBXDQWMIOCXTRG-UHFFFAOYSA-N 357.454 2.929 30 40 FFEB C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1Cl 408910509 KRWAJUSBYWRWNK-WEVVVXLNSA-N 371.245 2.815 30 40 FFEB CCCCC[C@H](/C=N\NC(N)=S)C(O)(C(F)(F)F)C(F)(F)F 17222881 GKGNUCJQSXGTOC-AOGVAULPSA-N 353.332 2.858 30 40 FFEB CC(C)(C)OC(=O)N=C(N)c1ccc(C(N)=NC(=O)OC(C)(C)C)cc1 627276226 KGOZHVXRHLZTJV-UHFFFAOYSA-N 362.430 2.967 30 40 FFEB CC(C)[C@](C)(C#N)NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 22981361 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C=CCn1/c(=N/C(=O)CCCC)sc2cc(S(C)(=O)=O)ccc21 100874538 WHNQSPWYEXAAQT-MSUUIHNZSA-N 352.481 2.910 30 40 FFEB N#Cc1cn(CC(=O)NC2CCCC2)c2ccc(Br)cc2c1=O 103262498 URTHBJYOCZBXAZ-UHFFFAOYSA-N 374.238 2.694 30 40 FFEB C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C(=O)c2ccccc2C1=O 3221366 XBLSZKLRRVILRA-SNVBAGLBSA-N 365.414 2.732 30 40 FFEB COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]1CC[C@]1(O)[C@H](O)[C@@]3(C(C)C)O[C@@H]3C[C@@H]12 104133785 IQTQXFZDFSEPKD-BRICAONVSA-N 366.498 2.671 30 40 FFEB N#Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1 83146658 UODQWJCFTMNEFS-DLBZAZTESA-N 351.387 2.879 30 40 FFEB N/C(=N\OS(=O)(=O)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 4576900 VRIWOWPPTZGCIJ-UHFFFAOYSA-N 371.374 2.774 30 40 FFEB C/C(=N\OCC(=O)O[C@H](C)C(=O)c1ccccc1)c1ccc2c(c1)OCO2 7058987 FQVXCFMASFSTJL-CNRHGSOZSA-N 369.373 2.971 30 40 FFEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1C=Nc1ccccc1Cl 408536156 PZIZOBCUWVGWRH-UUIJZJDISA-N 359.813 2.926 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(O)cc1 66088075 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XMYGKRUKWFHSDA-UFWORHAWSA-N 366.303 2.606 30 40 FFEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@@H]1/C=N\[C@H]1C[C@H]2CC[C@H]1C2 408532513 IHCSIUBWGFVWBJ-SOGZDCJOSA-N 359.813 2.798 30 40 FFEB C[C@H](c1cccc(F)c1)N1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 182500046 FVRPUAYUKVBGED-OAHLLOKOSA-N 373.453 2.765 30 40 FFEB C[C@H](NC(=O)N1CCC(CC#N)CC1)c1ncc(Br)cn1 570350964 ZFJSZDXZZBWOEO-JTQLQIEISA-N 352.236 2.635 30 40 FFEB N#Cc1ccc(C2=CCN(C(=O)c3cccnc3N3CCOCC3)CC2)cc1 611246681 SOTSCBUXBQASQL-UHFFFAOYSA-N 374.444 2.719 30 40 FFEB Cc1cnc(C(=O)OCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)cn1 33443639 IMAHVHPOYNAAJP-NVMNQCDNSA-N 351.406 2.822 30 40 FFEB CN(/N=C\c1ccc(O)c(/C=N/N(C)c2ccccn2)n1)c1ccccn1 17189251 AOMWJYYZXINVIA-BQGZOASHSA-N 361.409 2.518 30 40 FFEB C=CCn1c(SCC(=O)NC)nc2sc3c(c2c1=O)CC[C@H](C)C3 3266933 AEASHGHJPWJZFH-JTQLQIEISA-N 363.508 2.607 30 40 FFEB C=CCN1CC[C@]2(CN(C(=O)c3cccc(OC(C)C)c3)C[C@H]2C)C1=O 1614932697 DYABCXMBAIIAMZ-IIBYNOLFSA-N 356.466 2.970 30 40 FFEB CC1CCC(NC(=O)CN2CCCN(c3ccccc3C#N)CC2)CC1 51852153 SXQIXKFITPIHDP-UHFFFAOYSA-N 354.498 2.765 30 40 FFEB CCc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 103504580 IGUMSVNQTWNVAD-QAPCUYQASA-N 367.449 2.687 30 40 FFEB CC(C)CCC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 22959366 UZVLWLYZZIHTMB-HNNXBMFYSA-N 365.499 2.510 30 40 FFEB N#Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3nccs3)C2)c1 48355130 BDQQULLANOQCLW-CYBMUJFWSA-N 355.423 2.897 30 40 FFEB C=C(Cl)COC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C 12883883 NFOBXJQQVJRXHI-SFHVURJKSA-N 362.813 2.670 30 40 FFEB CN(C)c1cc(N/N=C/c2ccc(Br)cc2)nc(N(C)C)n1 4671880 ARZVUADQXJBWNE-LICLKQGHSA-N 363.263 2.817 30 40 FFEB C[C@H](Sc1nnnn1Cc1ccccc1)C(=O)NC1(C#N)CCCCC1 16447732 YFHYHMPRCHEAOD-AWEZNQCLSA-N 370.482 2.545 30 40 FFEB CCCC1(CCC)NC(=O)N(CC(=O)N(C)C2(C#N)CCCCC2)C1=O 24506253 XZIBEUMPIWEEIG-UHFFFAOYSA-N 362.474 2.562 30 40 FFEB CN(CC(=O)Nc1cc(Cl)ccc1C#N)C[C@@H]1COc2ccccc2O1 8708746 HMJRIRWKJRVSPH-OAHLLOKOSA-N 371.824 2.922 30 40 FFEB CNC(=O)[C@H](C)CN(C)C(=O)Nc1cccc(C#Cc2cccs2)c1 75092591 KQBYSETUMVAMER-CQSZACIVSA-N 355.463 2.994 30 40 FFEB COCOc1ccc(Br)c(B2OC(C)(C)C(C)(C)O2)c1F 1083800038 UIRWNGWBHCYKNM-UHFFFAOYSA-N 361.016 2.870 30 40 FFEB COC(CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccs1)OC 5445596 VVVSRNQNPYXVEI-INIZCTEOSA-N 373.430 2.945 30 40 FFEB N/C(=N\OC(=O)c1cc(Cl)nc(Cl)c1)c1ccc([N+](=O)[O-])s1 4280541 SNSZGDIPTYBZHI-UHFFFAOYSA-N 361.166 2.835 30 40 FFEB Cc1nc(C(F)F)cc(N2CCN(c3ncc(C#N)cc3Cl)CC2)n1 1888843329 LCGWXJRUAWGZOK-UHFFFAOYSA-N 364.787 2.969 30 40 FFEB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccccc1C#N 17305769 NJYKZBQJGYLKHH-HNNXBMFYSA-N 360.421 2.770 30 40 FFEB CCc1nnc(/N=C(\O)CNCCCNc2ccc([N+](=O)[O-])cc2)s1 19800606 HDARFPGUIJIKEG-UHFFFAOYSA-N 364.431 2.689 30 40 FFEB Cn1ncc(/N=C/c2c(O)ccc3ccccc23)c1C(=O)N1CCOCC1 100693784 SNYOUCFSFAASPB-CIAFOILYSA-N 364.405 2.502 30 40 FFEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2cccnc2)/C1=C(\O)c1ccco1 102487982 GKETVWPTZSJNSW-GROYHEBESA-N 361.357 2.692 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccncc1 4537368 WBYJONHISVSLCO-SFHVURJKSA-N 366.417 2.923 30 40 FFEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)[C@H]1c1cccs1 5576869 GRTZKZDUGMGSGM-IBOXJLQUSA-N 374.437 2.871 30 40 FFEB CC[C@H](C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C 32506678 YAIUEQOOISCNKR-DTBUPQAHSA-N 366.508 2.643 30 40 FFEB COC(=O)c1cccc(NC(=S)N/N=C/c2ccc(O)c(OC)c2)c1 1085239 OKEMHDQTFXGFNF-VCHYOVAHSA-N 359.407 2.508 30 40 FFEB COCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC[C@H](C)C1 102696305 CITRNLJPNUUQSL-GJZGRUSLSA-N 368.437 2.663 30 40 FFEB O=[N+]([O-])c1cccc(/C=N/Nc2nnc(Cc3ccccc3)c(O)n2)c1 8817187 JEKVZQVKXORNMR-WOJGMQOQSA-N 350.338 2.522 30 40 FFEB CCc1ccc(NC(=O)[C@H](C#N)C(=O)C2CCN(C(=O)C3CC3)CC2)cc1 103504557 UUPVHMQNCGGLFL-GOSISDBHSA-N 367.449 2.545 30 40 FFEB NC1=C(c2nc3ccccc3s2)C(=O)CN1/N=C/c1ccc(O)cc1 13692037 WLDNVAGEMOQTAI-AWQFTUOYSA-N 350.403 2.548 30 40 FFEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1CC 5516489 SXSZGCRYOKYGDB-PLDZJGDPSA-N 366.508 2.651 30 40 FFEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)[C@@H]1c1cccs1 5576918 GRTZKZDUGMGSGM-UYTDBDHRSA-N 374.437 2.871 30 40 FFEB CCOc1ccc(S(=O)(=O)/N=C(\O)c2cnccc2C)cc1OCC 95406415 PSUIWWZWIPKEPT-UHFFFAOYSA-N 364.423 2.881 30 40 FFEB C=CCN1C(=O)N/C(=C/c2cc(Br)c(OC)cc2OC)C1=O 409148190 XRIGPWUKMOMVIQ-YRNVUSSQSA-N 367.199 2.545 30 40 FFEB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(CC#N)cc2)c1 225928351 SLYLBIOUEGSWBP-UHFFFAOYSA-N 371.462 2.629 30 40 FFEB COc1ccc(C(=O)[C@@H](C#N)c2cc3c(c(OC)c2OC)OCO3)cc1 96336467 HQWCKMDTDCFYPE-AWEZNQCLSA-N 355.346 2.931 30 40 FFEB CCn1c(S)nc2cc(C(=O)Nc3cccc(C#N)c3)ccc2c1=O 102712818 NEXIKLDHYBHYLC-UHFFFAOYSA-N 350.403 2.829 30 40 FFEB CCOC(=O)[C@@H]1C(=O)C[C@@](O)(c2ccccc2)[C@@H](C#N)[C@H]1c1ccccc1 4566124 LOACLDDBDOFPHY-RJJVWVDVSA-N 363.413 2.950 30 40 FFEB C=CCn1nnnc1NCc1cc(Br)c(OCC)c(OC)c1 7601926 OIPOOCZNVHCDOC-UHFFFAOYSA-N 368.235 2.641 30 40 FFEB CCOC(=O)N1CCN(c2cc(C)c(C#N)c3nc4ccccc4n23)CC1 24949845 HXLYTPCJHDLDFH-UHFFFAOYSA-N 363.421 2.946 30 40 FFEB C=CCN(CC(=O)N(C)c1ccccc1)S(=O)(=O)c1ccccc1F 3298882 MSSYEARNBSSSTO-UHFFFAOYSA-N 362.426 2.665 30 40 FFEB Cc1ccc(N2/C(=N\C(=O)CC(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 101305778 CCYOHRGMNPFLHY-WPIBOPBSSA-N 366.508 2.643 30 40 FFEB CCN(CC)c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 100229854 ZJFAFNLKQZZYEM-SSBIHBCZSA-N 363.461 2.920 30 40 FFEB N#Cc1ccccc1CSc1nnc(-c2cccs2)n1CC(N)=O 12790914 OGDIVKAXZKQIEP-UHFFFAOYSA-N 355.448 2.656 30 40 FFEB COc1ccc(-c2csc(C3=C(N)N(CC(C)C)CC3=O)n2)cc1OC 9420758 PYPXFROMNLEMKD-UHFFFAOYSA-N 373.478 2.995 30 40 FFEB C=C(C)COc1ccc2c(C)c(CCC(=O)N[C@@H](C)C(=O)O)c(=O)oc2c1 6623977 IKAUSTBMZLPJEM-ZDUSSCGKSA-N 373.405 2.578 30 40 FFEB biogenic Cc1cc(-c2nnc(S)n2/N=C/c2ccc(Br)s2)[nH]n1 5625929 QXNPWACZJLYZLB-WLRTZDKTSA-N 369.273 2.972 30 40 FFEB C=CCNc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] 8148002 LRNVWMYJJHNVHM-STQMWFEESA-N 353.444 2.859 30 40 FFEB Cn1ccnc1[C@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(F)cc1 9338195 HCBFQBRYNWGYAE-LJQANCHMSA-N 364.380 2.715 30 40 FFEB CCOC(=O)CN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccccc1 224669149 WWKKIGCSFXZDNY-UHFFFAOYSA-N 358.419 2.511 30 40 FFEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cc(OC)ccc1OC)CC(=O)N2 4944330 VFJWOMURNVFOPH-LBPRGKRZSA-N 373.434 2.539 30 40 FFEB CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc3c(c2)OCCO3)cc1 5155919 UIWXQGSVRXWJTB-YCRREMRBSA-N 373.430 2.604 30 40 FFEB N#Cc1ccc(-c2ccc(/C=C3\SC(=O)N(CC(=O)O)C3=O)o2)cc1 4691009 IXJYPLUDRQNCEF-AUWJEWJLSA-N 354.343 2.939 30 40 FFEB C=CCc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(OCC)c1O 409129872 MNBYHXMYDMGXTR-MDWZMJQESA-N 363.391 2.640 30 40 FFEB CCN(Cc1ccc(OC)c(OC)c1)C[C@@H](O)COc1ccc(C#N)cc1 25234595 ODQOJURRKIHSSC-GOSISDBHSA-N 370.449 2.837 30 40 FFEB NC(=O)Cn1cc(/C=N\Nc2ccc(C(F)(F)F)cn2)c2ccccc21 34721725 PYJHIBRWDCDWMD-FINSYCMTSA-N 361.327 2.986 30 40 FFEB N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCc2c(cccc2C(N)=O)C1 585099493 NLLKGZJJYCHDRD-HXUWFJFHSA-N 374.444 2.802 30 40 FFEB CO[C@H](/C(O)=N/S(=O)(=O)Cc1ccc(Cl)nc1)c1ccccc1 83897624 LKSCTQLZUNMMEV-AWEZNQCLSA-N 354.815 2.909 30 40 FFEB CC(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C1C(=O)CC(C)(C)CC1=O 5377752 AWQHCJKCXNHUAG-UHFFFAOYSA-N 362.342 2.652 30 40 FFEB CC(C)(C)c1cc(N2CCN(c3nccc(C#N)n3)CC2)nc(C2CC2)n1 1888843648 NAYXEFHITHCSIF-UHFFFAOYSA-N 363.469 2.640 30 40 FFEB CCOc1cc(/C=N/c2cnn(C)c2C(=O)NCc2ccco2)ccc1O 2798477 YPEHPNDMNXOHCK-KEBDBYFISA-N 368.393 2.798 30 40 FFEB C=CCN1C(=O)N[C@@H](c2cnc(-c3ccccc3)nc2)C(C(=O)OC)=C1C 54003939 VSNPBLNXLWZAER-KRWDZBQOSA-N 364.405 2.843 30 40 FFEB C=CCN1[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N[C@H]2CCCC[C@H]21 4992836 TVERLAUBMYZBFH-BBWFWOEESA-N 361.873 2.966 30 40 FFEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccnc1)c1cccs1 1413266 SEAZCJBPBKSKAM-CZUORRHYSA-N 370.430 2.900 30 40 FFEB N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1 14190683 FKSIBRIRBQVKPA-NRFANRHFSA-N 371.444 2.895 30 40 FFEB CCOC(=O)COc1ccc(-c2c3c([nH]c(=N)c2C#N)CCCC3)cc1 408978325 IEOYOTIRGFDHKH-UHFFFAOYSA-N 351.406 2.854 30 40 FFEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 32634156 VQSFUMFYYBDXIG-KRGDBVFUSA-N 370.471 2.617 30 40 FFEB N#Cc1cccc(N2C[C@@]3(CCN(C(=O)C4(C#N)CCCC4)C3)CC2=O)c1 1565550754 FDRIDGPUFHDBBC-FQEVSTJZSA-N 362.433 2.598 30 40 FFEB Cc1c(C(=O)N(C)C)sc(NC(=O)c2nn(C)c(C)c2Cl)c1C#N 2779138 CCAQVSGQAOQLBE-UHFFFAOYSA-N 365.846 2.578 30 40 FFEB C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)c1 23433146 WQIDFCXZHUWQRU-NVXWUHKLSA-N 362.495 2.803 30 40 FFEB Cc1cc(N/N=C/c2ccccc2[N+](=O)[O-])nc(-n2nc(C)cc2C)n1 4591808 ZCVXYSHXJFVMBL-VCHYOVAHSA-N 351.370 2.942 30 40 FFEB Cc1cccn2c(=O)c3cc(C#N)c(=O)n(-c4ccc(Cl)cc4)c3nc12 6809439 MDMYQKFKHWWTCW-UHFFFAOYSA-N 362.776 2.832 30 40 FFEB CCOC(=O)COc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)cc1 20195736 BAKONNWZLXTZNT-CIAFOILYSA-N 372.421 2.769 30 40 FFEB Cc1c(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cnn1C 13297090 VEZDTYHHCLUIOS-UHFFFAOYSA-N 372.450 2.726 30 40 FFEB N#Cc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)oc1NC1CC1 12421167 GCXNOHSFTHJUCZ-UHFFFAOYSA-N 358.423 2.572 30 40 FFEB C[C@H]1Cc2cc(S(=O)(=O)N(CCC#N)CC3CC3)cc(Cl)c2O1 78822750 SVTUWUKMZADWCH-NSHDSACASA-N 354.859 2.978 30 40 FFEB CC[C@@H](C#N)N(Cc1cccc(CN(C(C)=O)[C@H](C#N)CC)c1)C(C)=O 1647935 UOONXSFQZJSYHA-PMACEKPBSA-N 354.454 2.988 30 40 FFEB CCOc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 670916 VSQCCMPPFPKXEV-HMMYKYKNSA-N 374.462 2.857 30 40 FFEB C[C@@H](OC(=O)c1cccc(CO)c1)C(=O)Nc1sc2c(c1C#N)CCC2 84001857 ITTYQHKZNVMGHA-LLVKDONJSA-N 370.430 2.785 30 40 FFEB Cc1ccccc1[C@@H]1C2=C(Nc3c1c(=O)[nH]c(=O)n3C)c1ccccc1C2=O 4814222 OJBGFAULIXBWFV-OAHLLOKOSA-N 371.396 2.547 30 40 FFEB COC(=O)[C@@H](Cc1ccc(OC)c([N+](=O)[O-])c1)/N=C/c1ccccc1O 1191858 RYKDXHVZKCKEAY-HIPSJFSSSA-N 358.350 2.512 30 40 FFEB N#C[C@@H](/C(=N/NC(N)=S)C(=O)Nc1cccc(Cl)c1)c1ccccc1 8655978 KSMVUWUHXZQXOA-HHSBIGSDSA-N 371.853 2.775 30 40 FFEB Cc1cccc(C/C(O)=N/S(=O)(=O)c2cccc(-c3nnco3)c2)c1 84210708 KTSXXSYJKQPLNL-UHFFFAOYSA-N 357.391 2.933 30 40 FFEB CC(C)/C(O)=N/c1ccc2c([C@@H](C(=O)O)N3CCN(C)CC3)c[nH]c2c1 36353429 YAUKWCAFVXQPRX-KRWDZBQOSA-N 358.442 2.785 30 40 FFEB COc1cc2c(=O)[nH]c3c(C#N)c4nc5ccccc5nc4n3c2cc1OC 11692068 WUCQNXQEBSGNFG-UHFFFAOYSA-N 371.356 2.766 30 40 FFEB Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)c1 12919431 BKONVSRGYJYYGV-UHFFFAOYSA-N 357.435 2.718 30 40 FFEB C=CCOc1ccccc1C1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC 19928251 NZFJHPCZQCKTPF-UHFFFAOYSA-N 357.406 2.832 30 40 FFEB CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1 32506875 DARCDLGFGWROTN-IHBNSJBNSA-N 366.508 2.643 30 40 FFEB COc1cc(/C=N\N=C2/C(=O)Nc3ccc(Br)cc32)ccc1O 16196033 QZTFUCVKAFQMLQ-LSCVHKIXSA-N 374.194 2.939 30 40 FFEB CCOC(=O)/C(=N\Nc1cc(Cl)ccc1Cl)N1CCN(CC)CC1 3195359 BGBYVELLXCYFBF-HMMYKYKNSA-N 373.284 2.919 30 40 FFEB Cc1cc(C)n(CC(=O)Nc2ccc(Br)cc2)c(=O)c1C#N 7615849 QPYRGAVFEBERBV-UHFFFAOYSA-N 360.211 2.738 30 40 FFEB Cc1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)c(C)o1 12568575 DYZQJJNDVJJJIZ-UHFFFAOYSA-N 361.423 2.619 30 40 FFEB CNC(=O)c1ccc(NCC(=O)NC2(C#N)CCCCCC2)cc1Cl 55892594 ITGCQXARFCTBHE-UHFFFAOYSA-N 362.861 2.844 30 40 FFEB C=CCOc1ccc(/C=C2\C(=O)N(CCOC)C(C)=C2C(=O)OC)cc1 2058457 IUVONVDULDIJAB-LGMDPLHJSA-N 357.406 2.570 30 40 FFEB Cc1nnc(NC[C@H](c2cccc(F)c2)N2CCOCC2)c(C#N)c1C 58191006 MPJYYLAXPLBCTG-GOSISDBHSA-N 355.417 2.590 30 40 FFEB N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2nccs2)c1=O 3251848 QCNAYNYUCWNNGD-UHFFFAOYSA-N 357.778 2.756 30 40 FFEB C=CCN(C(=O)/C=C/c1cnn(C)c1)c1nc(C)c(C(=O)OCC)s1 17074251 BBJGYPADQDYEDS-BQYQJAHWSA-N 360.439 2.594 30 40 FFEB N#Cc1c(COC(=O)CNC(=O)c2ccc(F)c(F)c2)cn2ccccc12 62579441 SCOHVAMCGCXTTH-UHFFFAOYSA-N 369.327 2.562 30 40 FFEB N#C[C@]1(N)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242728095 YSUXMOJVPFRMHW-XHSDSOJGSA-N 350.802 2.640 30 40 FFEB COc1ccccc1C(=O)N1CCC[C@@H](COc2cc(C#N)ccn2)C1 1775971695 YWWVKALRCFTILV-MRXNPFEDSA-N 351.406 2.893 30 40 FFEB CN(c1ncc(Cl)cn1)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1848835279 QEOYEQFQQUJSRR-UHFFFAOYSA-N 355.829 2.743 30 40 FFEB Cc1nc2ccccc2nc1N1C[C@@H]2CN(c3ncccc3C#N)C[C@H]2C1 2086867342 LROFOMIOZXQDIP-IAGOWNOFSA-N 356.433 2.778 30 40 FFEB CCOc1ccc(/C=C/C(O)=N/S(=O)(=O)c2ncn(C)c2Cl)cc1 58050643 SPDSIKOYHMPFKU-RMKNXTFCSA-N 369.830 2.831 30 40 FFEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cccnc1SC(F)F 11270906 MXKUBMILCXZDGV-QLJPJBMISA-N 371.409 2.996 30 40 FFEB Cc1ccc(C)c(NC(=O)[C@H](C)N2CCN(c3cc(C#N)ccn3)CC2)c1 29447537 OAWGMHXGZLLFFL-KRWDZBQOSA-N 363.465 2.719 30 40 FFEB Cc1cc(O)c(CN2CCOCC2)c2c1C(=O)/C(=C/c1cccnc1)O2 20572737 HRFKXSJODYKLID-YVLHZVERSA-N 352.390 2.544 30 40 FFEB COc1ccc(/C=N/n2c(-c3n[nH]c4c3CCC4)n[nH]c2=S)cc1OC 5625636 LUKXAZWIBNZGCK-GIJQJNRQSA-N 370.438 2.719 30 40 FFEB C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)O)S1)c1ccc(OCC(C)C)cc1 6762304 NAJLIGAGWHNXGW-HIPSJFSSSA-N 363.439 2.508 30 40 FFEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(OC)c1OC)CC(=O)N2 4944322 MSCQOPPUICXKGU-NSHDSACASA-N 373.434 2.539 30 40 FFEB COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(S(C)(=O)=O)cc1 24042879 DLIOQCKZYLVHMY-UHFFFAOYSA-N 365.794 2.843 30 40 FFEB Cc1ccc(N2C(=O)[C@H](/C=N\Cc3ccccc3)C(=O)NC2=S)cc1 408754127 LYAGHVXGKSMLND-SDLDRHLBSA-N 351.431 2.630 30 40 FFEB COc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2cccc(C)c2)C1=O 408536400 RGNIGAZURAOMQQ-AWEZNQCLSA-N 351.362 2.605 30 40 FFEB Cc1ccc2oc(N3CCN(/C(O)=N/Cc4ncoc4C)CC3)nc2c1 329111994 KJIKAXRTDWWXPS-UHFFFAOYSA-N 355.398 2.669 30 40 FFEB CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 90647718 UWMKPWKZGHRUQC-NPFJHFETSA-N 358.478 2.831 30 40 FFEB CC1CCN(c2nc(O)c3c(n2)NC(=O)C[C@H]3c2ccc(C#N)cc2)CC1 585655784 LTRPOGZBTCIIKK-HNNXBMFYSA-N 363.421 2.764 30 40 FFEB Cc1cnccc1CN1CCC[C@H]1c1c[nH]c(=Nc2ccc(C#N)nc2)cn1 585294862 VPRYGOJZHAFMMW-FQEVSTJZSA-N 371.448 2.949 30 40 FFEB Cn1ccnc1CN1CCC[C@H]1c1ccnc(Nc2ccc(C#N)nc2)n1 585293402 GWFGJOLGTDPHJU-KRWDZBQOSA-N 360.425 2.557 30 40 FFEB Cc1cc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc2n[nH]cc12 577820004 KILVPJCZFZOGEG-OAHLLOKOSA-N 362.393 2.823 30 40 FFEB O=C(O)Cn1/c(=N\N=C/c2ccc([N+](=O)[O-])cc2)sc2ccccc21 17175146 ZOOHPIGIWTWRLC-MEEWPIBLSA-N 356.363 2.630 30 40 FFEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1 102430907 YBXUBOBKPNKUHH-WOOAAIBNSA-N 364.445 2.978 30 40 FFEB C[C@]1(c2cc(F)ccc2F)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O 22224452 UPOGFIIPQSAYQH-LJQANCHMSA-N 371.343 2.682 30 40 FFEB CC/N=C1\S[C@@H](CC(=O)Nc2ccccc2OC(F)F)C(=O)N1CC 100633712 IGEJLUGZBAPFLL-GQDWROFLSA-N 371.409 2.956 30 40 FFEB CC(C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 4888111 CCAYJYCNLMYTHL-QLFBSQMISA-N 368.437 2.802 30 40 FFEB CC(C)(C(=O)N1CCN(C(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 31244692 DWVGZJGNPRZEJY-UHFFFAOYSA-N 361.445 2.820 30 40 FFEB Cn1ccc(CN2CCC[C@@H]2c2cccc(N=c3[nH]cc(C#N)s3)n2)n1 585293296 DYWSYYOQLRYVIJ-MRXNPFEDSA-N 365.466 2.646 30 40 FFEB N#C[C@@H](C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccn1 49456393 RKAXZBIPINEOMI-JRQWYPPZSA-N 366.465 2.916 30 40 FFEB COc1ccc(OC)c2c1CN(c1snc(Cl)c1C#N)C[C@H]2O 51453658 QBOHTQDRIGQPEI-SNVBAGLBSA-N 351.815 2.739 30 40 FFEB CN(C)C1CCN(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)CC1 1776007643 QWYGOJKJPHLNSP-UHFFFAOYSA-N 365.327 2.691 30 40 FFEB N#Cc1ccc(F)c(CN[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)c1 500428236 ZGZRHSPOMCHYAU-QUCCMNQESA-N 350.397 2.687 30 40 FFEB N#Cc1ccc(N2C[C@H]3CN(C(=O)Cn4ccc5ccccc54)C[C@@H]3C2)nc1 1888914309 RXAIZYCLCIWEJY-OALUTQOASA-N 371.444 2.503 30 40 FFEB CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1[C@H](O)[C@@H](F)C2 1848349792 GTHLUQQEKIJSME-SUMWQHHRSA-N 365.357 2.821 30 40 FFEB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCc1cnn(C)c1 103619777 ILOJDXRQBCOBNP-CYBMUJFWSA-N 374.828 2.671 30 40 FFEB C=CCOc1ccc(/C=C2/C(=O)N(CC=C)C(=S)N=C2O)cc1OC 2919140 NHXIHVXDONTKSP-JLHYYAGUSA-N 358.419 2.913 30 40 FFEB COc1ccc(CN2C(=O)C[C@@H](C(N)=O)S/C2=N\c2ccccc2)cc1 12420730 UUZDVRXJIDGFSP-XOMICKMZSA-N 369.446 2.702 30 40 FFEB C=CCNCc1ccc(OCc2nnnn2-c2ccc(C)cc2)c(OC)c1 7540406 ZAJFHERULLKXML-UHFFFAOYSA-N 365.437 2.834 30 40 FFEB COC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccc(C#N)cc1 59227905 FEONNOOSTAOANB-GOSISDBHSA-N 357.373 2.749 30 40 FFEB Cc1cc(C)c(C#N)c(SC[C@@H](O)C[S@@](=O)Cc2ccccc2)n1 5587728 DJVXXVHSURCWCV-VOIUYBSRSA-N 360.504 2.972 30 40 FFEB CNc1nc2[nH]c(=O)c([C@@H](c3ccccc3F)C(C#N)C#N)c(O)c2s1 9360049 RHFWJUCDOIHBJI-LLVKDONJSA-N 369.381 2.666 30 40 FFEB Cc1ccc(N([C@H](C)C(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)cc1 409412417 WKEUASSKUSKAFY-OAHLLOKOSA-N 371.462 2.854 30 40 FFEB CCCOc1c(Br)cc(/C=N/NC(N)=S)cc1OCC 13747445 ABLPRFQTHICMGT-LZYBPNLTSA-N 360.277 2.804 30 40 FFEB Cc1c(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C 5360473 NJYGMZNYSUFNIZ-XDHOZWIPSA-N 351.366 2.839 30 40 FFEB CN(CN(C)/N=C/c1ccc([N+](=O)[O-])cc1)/N=C/c1ccc([N+](=O)[O-])cc1 1708000 BUDVXIAFIOUQOL-GDAWTGGTSA-N 370.369 2.692 30 40 FFEB CCN(CC)S(=O)(=O)c1cccc(N/N=C2/SC(=N)N=C2C)c1 5524815 RHECLKBMSRKEAQ-NLVWDDRHSA-N 353.473 2.585 30 40 FFEB CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN2/C=C/C(=O)C(F)(F)F)c1 4119693 FNVHUGOUKCCNFE-KGXGESDWSA-N 369.343 2.693 30 40 FFEB C=CCN1C(=O)/C(=C/c2ccc(OC)c3ccccc23)C(=O)NC1=S 1202128 TVRDLKLDSPUJQT-RVDMUPIBSA-N 352.415 2.661 30 40 FFEB C=CCn1c(SCC(=O)N2CCC(C)CC2)nc2ccccc2c1=O 3249481 SUBCFULXGORINQ-UHFFFAOYSA-N 357.479 2.933 30 40 FFEB C[C@H](Oc1ccc(C#N)cc1)/C(O)=N/S(=O)(=O)Cc1ccc(F)cc1 45099677 IBKMFIAJKSOGPK-LBPRGKRZSA-N 362.382 2.951 30 40 FFEB CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3)cc2)cc1 12922486 UYZOQZOLDSCVDI-UHFFFAOYSA-N 371.462 2.972 30 40 FFEB C=CCSc1nc2ccc(I)cc2c(=O)n1C 6525897 RLVQRMXAAHRJOV-UHFFFAOYSA-N 358.204 2.816 30 40 FFEB C=C(Cl)COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 14901881 JWKAPRQRNKJNFQ-UHFFFAOYSA-N 353.827 2.804 30 40 FFEB Cc1cc(C)n(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c(=O)c1C#N 409412454 LPDQTLOROVLZAE-UHFFFAOYSA-N 365.311 2.874 30 40 FFEB COc1ccc(CN/C(=N/S(=O)(=O)c2cccs2)SC)cc1 18031001 GNPHECAOOMLCCN-UHFFFAOYSA-N 356.494 2.954 30 40 FFEB CCOC(=O)Cn1cc(/C=C2/S/C(=N/C)N(C)C2=O)c2ccccc21 408928672 DCQWREJCQKZQDS-CRQMPAQMSA-N 357.435 2.736 30 40 FFEB CCOc1c(Cl)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC 409408587 YPHZXRXLYRRBTJ-GVAFMPQTSA-N 374.824 2.888 30 40 FFEB C=CCn1c(CNC(=O)c2ccc(Br)cc2)n[nH]c1=S 85400123 MKKGFPIKKLRYGZ-UHFFFAOYSA-N 353.245 2.819 30 40 FFEB N#Cc1cccc(C(=O)N2CC3(C[C@@H](OCc4ccccn4)CS3)C2)c1 575403031 HSEWZVRHQKCQBP-GOSISDBHSA-N 365.458 2.870 30 40 FFEB N#Cc1ccc(N2C[C@H]3CN(C(=O)C4(c5ccccc5)CC4)C[C@H]3C2)nc1 1889149177 USSZMVRCZUKYLR-HDICACEKSA-N 358.445 2.580 30 40 FFEB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C1(C#N)CCC1 72290080 HVXXAZSLGNLPSY-UHFFFAOYSA-N 364.243 2.848 30 40 FFEB CCN1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 29121079 WWPHSCJGLCUXIF-UHFFFAOYSA-N 357.502 2.668 30 40 FFEB COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(O)c(O)c2)cc1OC 6007238 LLKBUGAVILKYSN-GIJQJNRQSA-N 372.406 2.918 30 40 FFEB N#Cc1c(NC(=O)CCN2C(=O)c3ccccc3C2=O)sc2c1CCC2 14181908 VSVZPIZDJJKJHD-UHFFFAOYSA-N 365.414 2.733 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)/C=C/c2ccco2)[C@@H]1c1ccccc1 16741872 VZRAVMKWSLHAHQ-BBVFFXRHSA-N 353.374 2.904 30 40 FFEB N#Cc1ccc(OCCOC(=O)c2cc(Br)ncc2N)cc1 95466518 DCHMALCSOXQLJF-UHFFFAOYSA-N 362.183 2.534 30 40 FFEB C#CCOc1ccc(/C=C2/NC(=O)N(CCC)C2=O)cc1Br 409228648 CAGIYRVGEOECJI-JLHYYAGUSA-N 363.211 2.764 30 40 FFEB COc1ccc(C(=O)N2CCN(c3ccc(N)cc3C#N)CC2)cc1Cl 70462154 PWWJIMORYHPUTP-UHFFFAOYSA-N 370.840 2.765 30 40 FFEB Cc1cc(C)c(C#N)c(N(C)C[C@@H]2CCCN(C)[C@H]2c2cncn2C)n1 585790124 LLCBCGUXXGWRMA-QFBILLFUSA-N 352.486 2.823 30 40 FFEB N#CCN1CCC[C@H]1c1cccc(Nc2nc(C(=O)NC3CC3)cs2)n1 585293990 MQMCMUZQNBTTEC-HNNXBMFYSA-N 368.466 2.834 30 40 FFEB C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1nc(-c2ccc(F)cc2)no1 58193465 IHEBIQLEANXKPC-NSHDSACASA-N 372.381 2.787 30 40 FFEB C#CCN(C(=O)c1cccc(S(=O)(=O)NCC=C)c1)C1CCCCC1 60167151 UEKKFIYJUWXXJK-UHFFFAOYSA-N 360.479 2.559 30 40 FFEB C=C[C@H](C)n1c(=O)c2c(nc3n(-c4ccccc4C)c(C)cn23)n(C)c1=O 13811618 MUDSIYIGGFZYDF-ZDUSSCGKSA-N 363.421 2.502 30 40 FFEB CC(=O)/N=C1\NC(=O)/C(=C/c2ccc(N(C)C)c(Br)c2)S1 18255055 YGGDUHVBPIOPQF-GHXNOFRVSA-N 368.256 2.622 30 40 FFEB COc1ccc2cc(C(=O)NCC#CCN3CCc4ccccc4C3)[nH]c2c1 90590653 JSMKTJGDFHSKIB-UHFFFAOYSA-N 373.456 2.968 30 40 FFEB O=C1Nc2ccccc2/C1=N\NC(=S)NC1C2CC3CC(C2)CC1C3 17140352 JTKOHQHAQOCCRY-UHFFFAOYSA-N 354.479 2.632 30 40 FFEB O=S(=O)(/N=C(\O)C1CCN(CC(F)(F)F)CC1)c1cccs1 40153185 BLVWCQSNPXRAGK-UHFFFAOYSA-N 356.391 2.668 30 40 FFEB COc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@@H](C#N)[C@@H]3C2=O)cc1 108521291 RKIJASNCZKCRBN-LWYYNNOASA-N 371.396 2.734 30 40 FFEB C=CCn1c(S[C@H](C)C(=O)NC(=O)NCC)nnc1C1CCCCC1 3485632 OLDXBBKDGPNOHB-GFCCVEGCSA-N 365.503 2.838 30 40 FFEB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CNCc3ccccn3)C(=O)O[C@@H]1C2 4000088 BBNOGWGUFLDUNV-DOVHUEEUSA-N 356.466 2.698 30 40 FFEB biogenic C/C(=N\Nc1nncc2ccccc12)c1ccc(OCC(=O)N(C)C)cc1 5938878 JEGBIHCCFKMVQV-HYARGMPZSA-N 363.421 2.933 30 40 FFEB N#Cc1ccccc1/C=C/C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 74674438 AIHOTVQSXUTQTP-ZJVMWOEPSA-N 356.429 2.808 30 40 FFEB COc1ccccc1N1CCO[C@H]1c1cn(Cc2ccccc2C#N)nn1 216763326 UMGRDNAHJXHGAU-FQEVSTJZSA-N 361.405 2.742 30 40 FFEB C#Cc1cccc(NC(=O)CNC(=O)CCC(=O)c2ccc(F)cc2)c1 40152005 DSAWBSBERKPWRM-UHFFFAOYSA-N 352.365 2.525 30 40 FFEB CC(C)(C)n1cnc(NC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)n1 529059409 ZCEDJHJDWDZWGX-UHFFFAOYSA-N 368.441 2.732 30 40 FFEB CC1=C(C)CN(C(O)=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)CC1 330352394 NICVVGITUTWLLA-UHFFFAOYSA-N 366.487 2.746 30 40 FFEB CC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1NC(=O)OC(C)(C)C 1504308159 BVOOYIQCRULKCJ-UHFFFAOYSA-N 362.235 2.930 30 40 FFEB CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)N1CCc2ccccc2C1 5403806 XIVHBYJJVXJZSM-GRSHGNNSSA-N 372.490 2.603 30 40 FFEB N#Cc1ccc(N2C[C@@H]3[C@H](CCN3C(=O)c3ccc(F)cc3F)C2)nc1 1889136293 YCNOCPKPCURZNS-CXAGYDPISA-N 354.360 2.582 30 40 FFEB O=C(O)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 19798493 LUIXBHYZGXFLKO-QGZVFWFLSA-N 351.358 2.740 30 40 FFEB biogenic CC/N=C1\S[C@H](CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])C(=O)N1CC 101127119 VZFTULQVARPGJQ-VLUKHXRESA-N 364.427 2.572 30 40 FFEB N#Cc1cc2cc3c(cc2nc1SCC(=O)N1CCCC1)OCCO3 1354931 WLKZPZXCBHPBJS-UHFFFAOYSA-N 355.419 2.592 30 40 FFEB Cc1ccc(N/N=C2/C(=O)N(C(N)=S)N=C2c2ccccc2)c(C)c1 100530526 BNLUOVIBWMCHAG-LTGZKZEYSA-N 351.435 2.561 30 40 FFEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2ccncc2)no1 102891977 YECMTALLIWBMHD-IDTYTIONSA-N 351.318 2.597 30 40 FFEB C#CCOc1c(CC=C)cc(/C=C2/NC(=O)N(CC=C)C2=O)cc1OCC 409129990 HXFZGRZTILEPMJ-GHRIWEEISA-N 366.417 2.905 30 40 FFEB COc1cccc(N=C[C@H]2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1 408530669 FORDBPJYTXKSLE-INIZCTEOSA-N 351.362 2.605 30 40 FFEB C=CCN1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C1=O 408602948 PFLZVMGYMREIER-LCYFTJDESA-N 358.300 2.873 30 40 FFEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C 32506632 UYVYPCMBXZHVQX-UICBKRPASA-N 366.508 2.787 30 40 FFEB N#Cc1ccccc1N1CCCN(CC(=O)N2CCc3ccccc3C2)CC1 46086328 MEPSCMZXCKKMDY-UHFFFAOYSA-N 374.488 2.655 30 40 FFEB CC1(C)Cc2c(C#N)c(NCc3ccco3)nc(N3CCOCC3)c2CO1 95478931 WJLCKOIXJIUOAT-UHFFFAOYSA-N 368.437 2.846 30 40 FFEB Cn1ccnc1[C@@H]1OCC[C@H]1CNc1nc(C(F)(F)F)ccc1C#N 596505526 QYEWPIWGGSGQLZ-WCQYABFASA-N 351.332 2.895 30 40 FFEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1cnccn1 2264708 OTKCWJLJGSWXMY-UHFFFAOYSA-N 366.450 2.960 30 40 FFEB C#CCOC(=O)CCCC(=O)Nc1ccc(I)cc1 5826390 POIALDCISXUJSC-UHFFFAOYSA-N 371.174 2.576 30 40 FFEB COc1ccc([C@H]2c3c(nn(-c4ccccc4)c3O)NC(=O)[C@@H]2C#N)cc1 14163234 KDLLVZOUPLAZGN-HZPDHXFCSA-N 360.373 2.810 30 40 FFEB COC(=O)Cn1c(SCc2ccc(C#N)cc2)nc2ccccc2c1=O 6937617 HYHAZMHNGSJYBF-UHFFFAOYSA-N 365.414 2.733 30 40 FFEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nc2ncccc2c1=O 31615144 XBFLNGOTUDOTJB-UHFFFAOYSA-N 370.409 2.847 30 40 FFEB COc1ccc(C(=O)Oc2ccc(/C=N/NC(N)=S)cc2Cl)cc1 657351 HMCUFAPNGNFMIZ-DJKKODMXSA-N 363.826 2.735 30 40 FFEB CCS(=O)(=O)c1ccc(/C=C/C=N/NC(=S)NCC(C)C)cc1 6001358 GAJGXBYKZDADFJ-VPHBVFCQSA-N 353.513 2.599 30 40 FFEB C/C(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)=N\NC(N)=S 4690567 XIBHORBWBCFLFL-KPSZGOFPSA-N 352.769 2.897 30 40 FFEB CC(=O)Nc1cccc(CO/N=C(/N)c2ccc(Br)o2)c1 95963274 WGTYJBOWZJPYLU-UHFFFAOYSA-N 352.188 2.838 30 40 FFEB COc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(C)cc3C)C2=O)c1 408538191 ZCECKCWZFRQALK-INIZCTEOSA-N 365.389 2.914 30 40 FFEB C=CCN1CC[C@@]2(CN(Cc3nccs3)C[C@H]2c2nccs2)C1=O 306142173 WSAFXIUIIGREFT-GUYCJALGSA-N 360.508 2.604 30 40 FFEB CN(C)S(=O)(=O)c1ccc(-c2nc(C#N)c(NCc3ccccc3)o2)o1 71284844 SQTASSNAKATBNV-UHFFFAOYSA-N 372.406 2.669 30 40 FFEB N#Cc1c(F)cccc1NCCNC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 103544373 MZQHUMFDUWEDQQ-VKFLQFAXSA-N 371.456 2.947 30 40 FFEB O=C1C(Nc2cccc(F)c2)=C([n+]2ccccc2)C(=O)N1Cc1ccco1 2388171 IBNVGVMHKBPDBF-UHFFFAOYSA-O 364.356 2.556 30 40 FFEB C=CCN1[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N[C@H]2CCCC[C@@H]21 4992837 TVERLAUBMYZBFH-ULQDDVLXSA-N 361.873 2.966 30 40 FFEB N#Cc1ccc(N2CCN(CCCOCC(F)(F)F)CC2)c([N+](=O)[O-])c1 57150923 GISLAAINKUVENL-UHFFFAOYSA-N 372.347 2.557 30 40 FFEB N#Cc1ccc(N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)nc1 58411355 FYONNDFAEHSPAL-UHFFFAOYSA-N 372.428 2.834 30 40 FFEB Cc1cccc([C@@H]2C3=C(Nc4c2c(=O)[nH]c(=O)n4C)c2ccccc2C3=O)c1 3646436 NPDKYWWYKNKHRD-OAHLLOKOSA-N 371.396 2.547 30 40 FFEB Cc1c(NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)cnn1-c1ccccc1 89487986 BTVKKOVBZVXVFQ-UHFFFAOYSA-N 363.352 2.769 30 40 FFEB N#Cc1c(/C=C/c2ccco2)c(C(=O)O)nn(-c2ccc(F)cc2)c1=O 409193090 BNZRIWWSPXQNJB-BQYQJAHWSA-N 351.293 2.705 30 40 FFEB COC(=O)[C@@]1(C)/C(=N/NS(=O)(=O)c2ccc(C)cc2)CCC[C@H]1C 38807273 LWLNBYRIVLIODI-CESAFEIJSA-N 352.456 2.629 30 40 FFEB COc1ccc(CN2C[C@H](OC)C[C@H]2COc2cccnc2)cc1C#N 1775957134 FGKLMDMMXLBXOU-PKOBYXMFSA-N 353.422 2.630 30 40 FFEB COC(=O)c1ccc(/C=N/OCC(=O)N[C@@H](C)CCc2ccccc2)cc1 3319480 DXVIMVQQDZHBSO-SITPEIFSSA-N 368.433 2.961 30 40 FFEB CCc1c(C#N)c(S[C@@H](C(N)=O)c2ccccc2)nc(N(C)C)c1C#N 1857524021 KIEQQZZDWUNUQK-MRXNPFEDSA-N 365.462 2.772 30 40 FFEB Cc1nn(CC(=O)N(Cc2ccco2)c2ccccc2)c(=O)c(C#N)c1C 40011883 QZUKGNBUYKJWPY-UHFFFAOYSA-N 362.389 2.558 30 40 FFEB C=CCOc1ccc(CN(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 24574346 QVXUETDSFSWJHE-UHFFFAOYSA-N 355.394 2.891 30 40 FFEB Cn1nc([N+](=O)[O-])c([C@@H](C#N)c2nc3ccccc3s2)c(Cl)c1=O 3251784 LRNCMXFAZDNGFN-SSDOTTSWSA-N 361.770 2.607 30 40 FFEB COC(=O)c1cc(C#N)c(=O)n(Cc2coc(-c3ccc(C)cc3C)n2)c1 44147622 TYBJDHOUMBJVGN-UHFFFAOYSA-N 363.373 2.827 30 40 FFEB CCCCOc1ccc(/C(C)=N\N=C2/NC(=O)[C@@H](CC(=O)O)S2)cc1 4814003 MLWIGHKKTHQPLV-AXLWCPOOSA-N 363.439 2.652 30 40 FFEB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C#N)cc2Cl)cc1 15335539 FPNPIVVMKGGATC-UHFFFAOYSA-N 350.783 2.938 30 40 FFEB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1C=Nc1ccc(Cl)cc1 408534565 MIUSMKZHKJHNON-GVARAGBVSA-N 359.813 2.926 30 40 FFEB O=C(O)c1cccc(-n2cccc2/C=N/Nc2ncccc2[N+](=O)[O-])c1 409075621 SKADMLBJGBYMGJ-YBFXNURJSA-N 351.322 2.925 30 40 FFEB CC/N=C1/S[C@@H](CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C(=O)N1CC 17877296 QKGWDOVHFBMVTA-CMTMBAJVSA-N 364.427 2.572 30 40 FFEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1C 5377782 QQJIOFACVSBDBZ-QDASYUEBSA-N 366.508 2.705 30 40 FFEB CSc1nc(NCCN2CCOCC2)c(C#N)c(-c2ccc(C)cc2)n1 19820729 YPODCEMFVCXYIS-UHFFFAOYSA-N 369.494 2.790 30 40 FFEB CCc1ncnc(N2C[C@H]3CN(c4ncc(C#N)cc4Cl)C[C@@H]3C2)c1F 1888859494 FFSJAGSPVAKHJN-CHWSQXEVSA-N 372.835 2.671 30 40 FFEB N#Cc1c(Cl)nc(NCCCO)c2c1CCN(Cc1ccccc1)C2 20100311 YTLKJVZMILZVIF-UHFFFAOYSA-N 356.857 2.959 30 40 FFEB C#CCSc1nc2c(c(=O)[nH]1)[C@@H](c1c(F)cccc1Cl)CC(=O)N2 4944266 GTBWTBVQZDPSIP-MRVPVSSYSA-N 363.801 2.762 30 40 FFEB COC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1ccc(C#N)cc1 59227906 FEONNOOSTAOANB-SFHVURJKSA-N 357.373 2.749 30 40 FFEB N#Cc1ccccc1OCC(=O)N1CCN(c2cccc(Cl)c2)CC1 3565923 WNRUYXWKGQQXIC-UHFFFAOYSA-N 355.825 2.939 30 40 FFEB C=CCOc1ccc(/C=c2/sc3nc(-c4ccco4)nn3c2=O)cc1 3649427 LSYQPRMRKUQSNF-RVDMUPIBSA-N 351.387 2.524 30 40 FFEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccc(Cl)c(O)c1 408740525 LHJYJZJFANPFBL-DKSCHZSNSA-N 373.821 2.812 30 40 FFEB CN(C[C@@H](O)COc1ccccc1C(F)(F)F)c1ncccc1C#N 64931200 AQXYIRVMJMFGBH-CYBMUJFWSA-N 351.328 2.848 30 40 FFEB CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C 32506680 YAIUEQOOISCNKR-ZZSRJQSASA-N 366.508 2.643 30 40 FFEB CN(CN(C)/N=C/c1ccccc1[N+](=O)[O-])/N=C/c1ccccc1[N+](=O)[O-] 1708001 TYYSGWJJGYOROP-GDAWTGGTSA-N 370.369 2.692 30 40 FFEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(O)c(Br)c2)cc1 57588774 LVXSTAAGBVGHNW-CXUHLZMHSA-N 369.240 2.776 30 40 FFEB C[C@@H](OC(=O)CNc1ccc(C#N)cc1)C(=O)N1CCc2sccc2C1 52349365 UDEWLLVXUZHNJX-CYBMUJFWSA-N 369.446 2.548 30 40 FFEB CCc1nc(CO/N=C(/N)c2ccc(-n3nc(C)cc3C)nc2)cs1 58378096 YEQYVGYDVSFXEX-UHFFFAOYSA-N 356.455 2.740 30 40 FFEB Cc1ccc(N2/C(=N/C(=O)CC(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 11907245 CCYOHRGMNPFLHY-PLDZJGDPSA-N 366.508 2.643 30 40 FFEB CC(=O)c1ccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 409250208 MQEWWLMGNCLFJK-HYARGMPZSA-N 366.417 2.877 30 40 FFEB N#CC1(NC(=O)CSc2nc3ccccc3c(=O)n2C2CC2)CCCC1 7860926 RWQKVRYZTZYTHK-UHFFFAOYSA-N 368.462 2.776 30 40 FFEB NC(=O)COc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1 409222095 AWSYRDYDLQGWFO-UHFFFAOYSA-N 367.401 2.679 30 40 FFEB C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)[C@H](O)C[C@H](O)[C@@]3(C)[C@@H]1C2 253476404 IUVZTUKGYOYDHT-SNKBLNNMSA-N 364.482 2.939 30 40 FFEB biogenic,in-vitro N#Cc1cccc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)c1 7059800 UVNBGUMWPYAPAX-UHFFFAOYSA-N 361.854 2.723 30 40 FFEB N#Cc1cccc(C(=O)N2CCC[C@H](n3cnc4ccccc4c3=O)C2)c1 575615586 DXXORUJNIVDGPX-KRWDZBQOSA-N 358.401 2.745 30 40 FFEB CC(C)c1ccc(-c2nnn(C[C@H](O)COc3ccc(C#N)cc3)n2)cc1 10415206 QQZQVDWJLAEEJV-SFHVURJKSA-N 363.421 2.775 30 40 FFEB N#CCCCSc1nc2ccccc2c(=O)n1CCCN1CCOCC1 21129485 KITDGBODUKOAFQ-UHFFFAOYSA-N 372.494 2.515 30 40 FFEB N#CCCN(C(=O)CN1CCN(Cc2ccccc2)CC1)c1ccccc1 23248685 CXZYGPVGOZPXIQ-UHFFFAOYSA-N 362.477 2.751 30 40 FFEB N#Cc1cccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c1 2630168 MJEUUQLFGMXOIF-UHFFFAOYSA-N 363.398 2.859 30 40 FFEB C[C@@](C#N)(NC(=O)COC(=O)CCC(=O)c1ccc(Cl)s1)C1CC1 4460843 ZFTDDUVMSHCFTF-INIZCTEOSA-N 368.842 2.716 30 40 FFEB Cc1ccc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)cc1Cl 6809437 VYFNCPTYJFDQML-UHFFFAOYSA-N 362.776 2.832 30 40 FFEB N#Cc1ccc(NC(=O)COc2ncnc3c2cnn3-c2ccccc2)cc1 6943137 JAKDRWZMRDYGTQ-UHFFFAOYSA-N 370.372 2.705 30 40 FFEB C=CCSc1nnc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)s1 9363942 SGBYJLJUEZLTOK-SNVBAGLBSA-N 352.485 2.546 30 40 FFEB Cc1ccc(C[C@H](C#N)Sc2nnc(CCC(N)=O)n2CC(C)C)cc1 8128886 JNXPPOXOSHZACC-MRXNPFEDSA-N 371.510 2.887 30 40 FFEB N#CCCn1cc(C(=O)CSc2nnnn2C2CC2)c2ccccc21 8231920 MBDZPLDOLYRYGG-UHFFFAOYSA-N 352.423 2.851 30 40 FFEB CCOC(=O)C1=C(C)N=C(SCC#N)N[C@H]1c1ccc(N(C)C)cc1 408990090 MJOSVIYMIOYDLF-INIZCTEOSA-N 358.467 2.847 30 40 FFEB COCc1csc(NC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)n1 529004953 VOLAWLIKQXSVBY-UHFFFAOYSA-N 372.450 2.989 30 40 FFEB CN(Cc1cc(C#N)ccc1F)C(=O)COC(=O)c1c(F)cccc1F 50390414 LKZDZPDPBQNMDQ-UHFFFAOYSA-N 362.307 2.791 30 40 FFEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1nc2ccccc2[nH]1 32824479 WDAZDBFNFGSIBD-UHFFFAOYSA-N 359.393 2.665 30 40 FFEB Cc1ccccc1/N=C1/NC(=O)/C(=C\c2ccccc2OCC(N)=O)S1 6925039 SBUHIQQARZTJSU-MHWRWJLKSA-N 367.430 2.751 30 40 FFEB Cc1sc(NC(=O)CN2CCN(c3ccccc3)CC2)c(C#N)c1C 35610539 GIRVTXIFVKXQLR-UHFFFAOYSA-N 354.479 2.997 30 40 FFEB O=S(=O)(c1cc(/N=C/c2cccnc2)ccc1Cl)N1CCOCC1 4979475 ROLSJQHVPIWYMH-XDHOZWIPSA-N 365.842 2.507 30 40 FFEB C=CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(OC)cc1 224856081 SQKJHDWBENOMPA-UHFFFAOYSA-N 361.419 2.863 30 40 FFEB Cc1onc(CC(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1C#N 331376256 DXYCLRISOVGDJY-QAPCUYQASA-N 357.385 2.915 30 40 FFEB COc1ccc(NC(=O)[C@@H]2CCCN2/C=C/C(=O)C(F)(F)F)c(OC)c1 4119714 HEDCKVHGLWCPRY-XOVSCCBYSA-N 372.343 2.752 30 40 FFEB CN(c1cccnc1C#N)C1CN(c2ncnc(-c3ccccc3)c2F)C1 1775974559 JGMZPUNQBCNBNR-UHFFFAOYSA-N 360.396 2.874 30 40 FFEB Cc1ccc(S(=O)(=O)/N=C2/SCC(=O)N2C2CCCCC2)cc1 100887855 HENHUTTUYVIWFL-WUKNDPDISA-N 352.481 2.948 30 40 FFEB Cc1cccc(N2/C(=N\C(=O)C(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 101312354 GQXSFVCKKRVXRC-GGNAOWBESA-N 366.508 2.643 30 40 FFEB N#Cc1ccc(C(=O)NCC(=O)Nc2ccccc2Br)cc1 3347630 PRXWHNORMHXGGN-UHFFFAOYSA-N 358.195 2.689 30 40 FFEB CC(C)COc1ccc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)cc1 408601836 LNLWOTWYJLLWHK-JJFYIABZSA-N 373.432 2.933 30 40 FFEB COC(=O)c1ccc(-c2ccc(/C=C3\S/C(=N\C(C)=O)NC3=O)o2)cc1 13786004 WXVYGPGSCOXLGH-DHDCSXOGSA-N 370.386 2.840 30 40 FFEB COC(=O)Cc1ccc(O[C@H](C)C(=O)N(C)C2(C#N)CCCCC2)cc1 39996275 NFEAFLXFQCNVCX-OAHLLOKOSA-N 358.438 2.854 30 40 FFEB CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1cccc(O)c1 8568473 BDHQILMLAVLKCX-CYBMUJFWSA-N 355.419 2.762 30 40 FFEB N#Cc1cccnc1NCc1cccc(C(=O)NC[C@H]2CCCCO2)c1 95468174 UJNARSZTXBSHJZ-GOSISDBHSA-N 350.422 2.864 30 40 FFEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 32634153 VQSFUMFYYBDXIG-GGNAOWBESA-N 370.471 2.617 30 40 FFEB N#Cc1nccnc1O[C@H]1CCCN(C(=O)NCCCc2ccccc2)C1 225489295 QCYKPERVXCOSKW-KRWDZBQOSA-N 365.437 2.534 30 40 FFEB C=CCOc1ccc(/C=c2\sc3nc(-c4ccccc4)nn3c2=O)cc1 13801187 QDFJUGQQLLFBOT-LGMDPLHJSA-N 361.426 2.931 30 40 FFEB C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)OC)c1 3227288 WRRFFRUXVXVXFX-UHFFFAOYSA-N 361.419 2.863 30 40 FFEB CC(C)Cn1c(-c2ccc(C#N)cc2)nc2c1c(=O)[nH]c(=O)n2CC(C)C 13132592 UBFYPLVHRWEGLL-UHFFFAOYSA-N 365.437 2.737 30 40 FFEB C=CCOc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1OC 409361361 RJAWZQQFXSWPHL-UHFFFAOYSA-N 351.362 2.558 30 40 FFEB Nc1ccc([N+](=O)[O-])cc1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 95945666 HIZVZWRLGYFEAS-UHFFFAOYSA-N 363.295 2.977 30 40 FFEB CCN1CCN([C@@H](C)CNc2oc(-c3ccccc3C)nc2C#N)CC1 72238489 ZMVIUDLZSYXWFJ-INIZCTEOSA-N 353.470 2.960 30 40 FFEB COC(=O)C1=C(C)N(CC(F)(F)F)C(=O)N[C@H]1c1cccc(C#N)c1 22832023 LIAQMTMRNYYOCM-ZDUSSCGKSA-N 353.300 2.634 30 40 FFEB C=CCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 225737577 PCLHPFRFNIXIQQ-UHFFFAOYSA-N 360.460 2.576 30 40 FFEB N#Cc1ccccc1S(=O)(=O)Nc1cccc(N2CCCCC2=O)c1 24956824 JFQNPNHYORCCFV-UHFFFAOYSA-N 355.419 2.876 30 40 FFEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccco1 102498138 LMEWIDNHLGEGNQ-UYTDBDHRSA-N 358.394 2.636 30 40 FFEB NC(=S)N/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3 13638599 VBDLLTJWFFBEAG-UBKPWBPPSA-N 368.256 2.947 30 40 FFEB COc1cc(/C=N/n2c(-c3cc(C)[nH]n3)n[nH]c2=S)cc(OC)c1OC 5625909 SSZDDSLJVQZUQO-CAOOACKPSA-N 374.426 2.547 30 40 FFEB C=CCOc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1OCC 20233505 FSUADSYUYIILJJ-XMHGGMMESA-N 360.435 2.963 30 40 FFEB CC(C)N1CC[C@@H](/N=C(/N)SCc2ncc(-c3cccs3)o2)C1=O 95946489 FFYVOFZYLDHQDW-LLVKDONJSA-N 364.496 2.960 30 40 FFEB C/C(CC(=O)Nc1ccccc1C)=N/NS(=O)(=O)c1ccc(C)cc1 17211486 WJXIJKIQGFAWPZ-HKWRFOASSA-N 359.451 2.986 30 40 FFEB CC(=O)NC(=S)Nc1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1 6238380 VMBQYZMYAGYMHC-RQZCQDPDSA-N 358.379 2.884 30 40 FFEB CC/N=C1\S[C@@H](CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])C(=O)N1CC 101127117 VZFTULQVARPGJQ-WPCFGXOUSA-N 364.427 2.572 30 40 FFEB O=C(O)CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 102625353 FSNZUSSMKWLTNT-IBOXJLQUSA-N 371.776 2.846 30 40 FFEB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(C#N)c(Cl)c2)c1 12948288 JQHVIIGOLIDDND-UHFFFAOYSA-N 350.783 2.799 30 40 FFEB Cc1ccc(N=C[C@@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1C 408530383 FEWWQVBAMLAHGY-XJNFMUPTSA-N 353.422 2.889 30 40 FFEB CCCC(=O)N1CCC[C@H](C(=O)Nc2nc3cc(C#N)ccc3n2CC)C1 95450708 JERQUOMPUZABKY-HNNXBMFYSA-N 367.453 2.905 30 40 FFEB C[C@@H]1CCc2ccccc2N1C(=O)CO/N=C(/N)c1ccc(N(C)C)cc1 75121313 NGNYSJPDSJXDLH-OAHLLOKOSA-N 366.465 2.757 30 40 FFEB N/C(COc1ccccc1)=N\OCC(=O)Nc1ccc(F)c(Cl)c1 39992632 BAWUFYMXCTZVRY-UHFFFAOYSA-N 351.765 2.785 30 40 FFEB C[C@H](/C(O)=N/C[C@@H]1CCCO1)N1CCN(c2ccnc3ccccc23)CC1 329637339 YMATYTYMMVYAQL-SJORKVTESA-N 368.481 2.881 30 40 FFEB O=C(CCC(=O)c1ccccc1)NCC#CCOc1ccc2c(c1)OCO2 90730651 WHBGTZSVCQKZLM-UHFFFAOYSA-N 365.385 2.577 30 40 FFEB C=C1C[C@@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)/C(C)=C\C)C[C@@]2(C)OC1=CC2=O 229774657 BITFKDUCQOBZDL-RFDJNJKWSA-N 358.390 2.554 30 40 FFEB biogenic,in-vitro Cc1ccccc1-n1nnnc1SCC(=O)Nc1sccc1C#N 5352255 FRLXGRBOKXTVJZ-UHFFFAOYSA-N 356.436 2.635 30 40 FFEB COc1ccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)cc1OC 20065541 WRWLCWSVBOXCSZ-UHFFFAOYSA-N 369.406 2.602 30 40 FFEB COc1ccccc1N1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 57406028 KTTYNZCVKJHDHL-INIZCTEOSA-N 364.449 2.716 30 40 FFEB C[C@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)N1CCCc2ccccc21 12808334 TVRYHIAZAGSUCM-LBPRGKRZSA-N 363.446 2.867 30 40 FFEB COc1cccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)NC2=O)c1 13898261 BJECKBOZNUZFOO-OAHLLOKOSA-N 355.419 2.943 30 40 FFEB C/N=C(\c1ccccc1)N1CCN(CC(=O)Nc2ccc(C)cc2)CC1 25637436 CTQAVJVYJRBYJO-QURGRASLSA-N 350.466 2.628 30 40 FFEB Cc1c(C#N)c(NC(=O)CSc2nncn2C)n(-c2ccccc2)c1C 8710616 POEZFRHUXZUZGQ-UHFFFAOYSA-N 366.450 2.825 30 40 FFEB C#CCN1C(=O)S/C(=C\c2ccccc2I)C1=O 408553548 ZWQNIAZQNFYINU-FLIBITNWSA-N 369.183 2.961 30 40 FFEB COC1=CC(=O)C[C@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O 622120 DDUHZTYCFQRHIY-QPFGOUBPSA-N 352.770 2.810 30 40 FFEB biogenic,in-vitro C=CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 222926922 TWMIBEWVUDSOQB-INIZCTEOSA-N 370.424 2.924 30 40 FFEB CCN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccc3c(c2)OCO3)c2ccccc21 1133974 MVYYHXDGYFFMIB-WFNSPDMASA-N 365.385 2.642 30 40 FFEB CC(=O)OC/C(C)=N\NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 17060696 MKCKOEFDAASALX-UUASQNMZSA-N 373.645 2.864 30 40 FFEB C=CCOc1ccc(C(=O)N2CC[C@H]3CN(Cc4cccnc4)C[C@H]32)cc1 1075959858 PMUIKRCGHSWRNG-PZJWPPBQSA-N 363.461 2.993 30 40 FFEB N#Cc1ccc(OC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)cc1 40134488 GVQVSRUHWSIBCK-UHFFFAOYSA-N 351.337 2.781 30 40 FFEB O=C(/C=C/c1csnn1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 40139697 DLHSDAIXQKWZQN-RMKNXTFCSA-N 363.464 2.609 30 40 FFEB Cc1c([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)nn1C 2782495 XOFUZPWNRGSEFK-QMMMGPOBSA-N 359.411 2.947 30 40 FFEB C=CCOc1c(Br)cc(CNc2nnnn2CC)cc1OC 7602239 VKBNTIQHELLSFT-UHFFFAOYSA-N 368.235 2.641 30 40 FFEB CC[C@H](C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1 12944125 ZFXXUEQFRDHTDM-ZDUSSCGKSA-N 351.472 2.922 30 40 FFEB C=CCN1C(=O)c2ccc(C(=O)OCCOc3ccccc3F)cc2C1=O 7980992 IEEXJTYCERYNID-UHFFFAOYSA-N 369.348 2.844 30 40 FFEB C=CCCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 72282671 MMGRBJOBFHIMMI-GFCCVEGCSA-N 366.259 2.987 30 40 FFEB N#Cc1ccccc1/C=C/C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 74674439 AIHOTVQSXUTQTP-RQWLHQTBSA-N 356.429 2.808 30 40 FFEB N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@H](C(N)=O)N2C=Cc3ccccc3[C@H]21 36006169 HVCZTRFWMLVDJU-QRVBRYPASA-N 358.376 2.838 30 40 FFEB Cc1ccc(N2N[C@H](C)C=C2OS(=O)(=O)c2ccc(C(=O)O)cc2)cc1 11691666 QNSKQJANCDFXTM-CYBMUJFWSA-N 374.418 2.653 30 40 FFEB COc1ccc(/C=C2\Oc3cc(OCC(=O)O)ccc3C2=O)c(OC)c1 12890013 LTASRECSFOJROM-IDUWFGFVSA-N 356.330 2.783 30 40 FFEB biogenic N#Cc1cccc(NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)c1 5015320 NQHNLDZDPBLGSH-UHFFFAOYSA-N 370.825 2.918 30 40 FFEB CN(C)C[C@@H](CNC(=O)Nc1ccc(C#N)cc1)[C@H](O)c1ccccc1 40088341 AFULFGCSWGBZJM-IEBWSBKVSA-N 352.438 2.591 30 40 FFEB CCCCCCCCc1nnc(NC(=O)C2=NN(C)C(=O)CC2)s1 102818957 HPQBCFILQVOQGD-UHFFFAOYSA-N 351.476 2.988 30 40 FFEB CC(C)C[C@H](NC(=O)[C@@H](NCCC#N)C(C)C)C(=O)Nc1ccccc1 71788320 BSPUMGRSOHBPMB-ROUUACIJSA-N 358.486 2.684 30 40 FFEB C=CCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 224418757 MLSKMJCZEUWAFW-UHFFFAOYSA-N 358.463 2.732 30 40 FFEB CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 252514525 CTHVNZYEIIDUDK-ZHALLVOQSA-N 355.415 2.699 30 40 FFEB C[C@]12CC[C@@H]3c4ccc(O)cc4/C(=N/OCC(=O)O)C[C@H]3[C@@H]1CC[C@@H]2O 38807190 AWARIMYXKAIIGO-FIIMHDCBSA-N 359.422 2.872 30 40 FFEB in-vitro O=[N+]([O-])c1cccc(S(=O)(=O)N/N=C/c2ccc(C(F)(F)F)cc2)c1 4863723 SHUOUUKAYFOXQR-GIJQJNRQSA-N 373.312 2.926 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1cccc(O)c1 102862981 KBJSYPKKZDDGQZ-SELCWUDQSA-N 367.401 2.769 30 40 FFEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccnc1 19927879 FNJLTWKSCXTBEN-GOSISDBHSA-N 365.433 2.612 30 40 FFEB N#Cc1ccccc1OCC(=O)OCC(=O)c1ccc(OC(F)F)cc1 3280413 LZJAXTCNXZNWED-UHFFFAOYSA-N 361.300 2.965 30 40 FFEB C=CCNc1nc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)cs1 10135166 BWCYYBKMZRASHL-GFCCVEGCSA-N 362.455 2.629 30 40 FFEB C=CCNC(=O)CSc1nnc(N2CCCCC2)n1-c1ccc(C)cc1 9322913 PUQSCOSLGDKOPI-UHFFFAOYSA-N 371.510 2.960 30 40 FFEB CCOc1cc(C)c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OCC 409408029 OOPAFAPJPFUYPQ-KODHJQJWSA-N 368.433 2.933 30 40 FFEB O=C1CSC(=S)N1/N=C\c1cccn1Cc1ccccc1[N+](=O)[O-] 409342269 DBBKFCKNGQUYEW-PXNMLYILSA-N 360.420 2.639 30 40 FFEB N#Cc1nc(COc2ccc3c(c2)OCO3)oc1NCc1cccnc1 31820271 QEFBOJHLQJIVBB-UHFFFAOYSA-N 350.334 2.861 30 40 FFEB COc1cccc(C(=O)/C=C2/Nc3ncc(Br)cc3NC2=O)c1 85958847 DZIMMASWRVOEIT-NTUHNPAUSA-N 374.194 2.984 30 40 FFEB COC1(c2nc(CC(F)(F)F)no2)CCN([C@@H]2CC[C@H](C#N)C2)CC1 328831018 KTXCIWZVCFXNIO-NWDGAFQWSA-N 358.364 2.804 30 40 FFEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1c(C)cccc1CC 16741120 ZZKLTXOGZYBTEF-YQTDRKPDSA-N 366.508 2.569 30 40 FFEB Cc1ccc([C@@H]2C3=C(Nc4c2c(=O)[nH]c(=O)n4C)c2ccccc2C3=O)cc1 18123025 VSXUDSMJXRZBPV-OAHLLOKOSA-N 371.396 2.547 30 40 FFEB biogenic CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccccn1 20233422 IJXNAKPSZKRICO-KRWDZBQOSA-N 369.421 2.595 30 40 FFEB COc1cc(C(=O)N2CCN(C(=O)c3sccc3C#N)CC2)ccc1C 52031621 LSWSXNZQJGGVGB-UHFFFAOYSA-N 369.446 2.535 30 40 FFEB CN(C(=O)COC(=O)c1cccnc1N1CCCC1)C1(C#N)CCCCC1 22374092 QXEGXRZPVXWAME-UHFFFAOYSA-N 370.453 2.523 30 40 FFEB COc1ccccc1C/C(O)=N/S(=O)(=O)Cc1ccc(Cl)nc1 58150077 CRWXDAGKUJSYCO-UHFFFAOYSA-N 354.815 2.773 30 40 FFEB COCCOc1c(Cl)cccc1NCC(=O)N[C@](C)(C#N)C(C)C 58289531 KEGRRJGFMWRECQ-QGZVFWFLSA-N 353.850 2.832 30 40 FFEB N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccccc2F)CC1 24203299 AZXVYSAHTQQBHH-UHFFFAOYSA-N 354.341 2.568 30 40 FFEB N#Cc1cc(F)ccc1NC(=O)N[C@@H](CN1CCOCC1)c1ccccc1 12927627 QAJFYGZMJQZPMG-IBGZPJMESA-N 368.412 2.892 30 40 FFEB C=CCc1ccc(OCC(=O)Nc2nc(CC(=O)O)cs2)c(OC)c1 13405303 VPWUENJPPKAQSU-UHFFFAOYSA-N 362.407 2.525 30 40 FFEB COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(O)cc1 6786020 UILFRNIBJUXKRV-MRXNPFEDSA-N 357.362 2.600 30 40 FFEB COc1cccc(N2CCO[C@@H]2c2cn(Cc3cccc(C#N)c3)nn2)c1 216765286 UDRILOBGIDSRSA-HXUWFJFHSA-N 361.405 2.742 30 40 FFEB CC(C)(CO)[C@H](NC[C@H](O)COc1ccccc1C#N)c1cccs1 599420158 CFCRNXLLGTUDHZ-MAUKXSAKSA-N 360.479 2.709 30 40 FFEB CCCCOC[C@H](O)C[N+](C)(C)CC(=O)c1ccc(Br)cc1 3151236 QPUNXBWVYHQJHB-MRXNPFEDSA-N 373.311 2.886 30 40 FFEB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C#N)cc2)cc1 6637450 BKXKTKCHVPVFHP-GFCCVEGCSA-N 351.362 2.701 30 40 FFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc2c(cc1Cl)OCO2 9114181 DCORMCLPSZJWAT-UHFFFAOYSA-N 373.796 2.817 30 40 FFEB COc1ccccc1/C=N/Nc1nc(N2CCCC2)nc(N2CCCC2)n1 4477994 XEHILMMLDZGLOH-XSFVSMFZSA-N 367.457 2.527 30 40 FFEB C/C(=N\Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1cc2ccccc2o1 5612713 STRIWLFNORRTOP-VCHYOVAHSA-N 374.378 2.825 30 40 FFEB CS(=O)(=O)c1ccccc1NC(=O)COc1ccc(C#N)cc1Cl 8256723 YAWCOQQKWPFYSF-UHFFFAOYSA-N 364.810 2.633 30 40 FFEB CC(C)C(=O)C1=Cc2cc(Cl)cc([N+](=O)[O-])c2O[C@@H]1N1CCOCC1 19994789 QCMJEZYDBYHJTD-KRWDZBQOSA-N 366.801 2.907 30 40 FFEB N#C[C@]1(C(=O)O)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242649043 RSPDIOUVWQPMMV-UXLLHSPISA-N 361.806 2.874 30 40 FFEB N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N(C[C@@H]1CCOC1)C1CC1 156486278 FPFGAPRATZKTAB-NSHDSACASA-N 374.384 2.767 30 40 FFEB CC1(C)OB(c2cccc(B3OC(C)(C)C(C)(C)O3)c2Cl)OC1(C)C 1857791509 UXFMOYJAKIBASN-UHFFFAOYSA-N 364.487 2.938 30 40 FFEB C#CC1(OC[C@H](O)CN2CCN(Cc3ccccc3)CC2)CCCCC1 22917926 BKDKTFBTJZEBBY-OAQYLSRUSA-N 356.510 2.518 30 40 FFEB CSc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(C(=O)O)nn32)cc1 5348639 HCDXDRZVZPMBGJ-CQSZACIVSA-N 356.407 2.720 30 40 FFEB C#CCN1CCC(C(=O)N2CCN([C@H](C)c3ccccc3Cl)CC2)CC1 58203373 UGPBBZSWZJNDLV-QGZVFWFLSA-N 373.928 2.890 30 40 FFEB C=CCc1ccccc1OCc1ccc(C(=O)NCCN2CCOCC2)o1 27983980 ZHCKOXMMWAATDY-UHFFFAOYSA-N 370.449 2.649 30 40 FFEB C=CCN1C(=O)c2ccc(C(=O)OCCc3ccc(OC)cc3)cc2C1=O 3526021 UTIXXGZNEOZVQG-UHFFFAOYSA-N 365.385 2.877 30 40 FFEB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 5279621 YOLUZAKBSFBHNU-UHFFFAOYSA-N 371.462 2.519 30 40 FFEB COc1cc(OC)cc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1 14197447 RAFYEFZTLPSWFX-HXUWFJFHSA-N 365.433 2.726 30 40 FFEB Cc1ccc(C)c(S(=O)(=O)N/N=C2/C(=O)Nc3ccc(Cl)cc32)c1 6707735 YNCVGZKQKWIJBH-UHFFFAOYSA-N 363.826 2.592 30 40 FFEB COCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@@H](C)C1 4901863 CITRNLJPNUUQSL-HUUCEWRRSA-N 368.437 2.663 30 40 FFEB Cc1ccc(NC(=O)CN(C)[C@@H](C)C(=O)N(C)C2(C#N)CCCCC2)cc1 8472313 VBBAZNANOBMTJD-KRWDZBQOSA-N 370.497 2.939 30 40 FFEB CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 32506221 CKUCNCSPEPZPDZ-NHYXNVPJSA-N 366.508 2.724 30 40 FFEB Cn1c(=O)n(C)c2cc([C@@H]3CC(=O)OC4=C3C(=O)CC(C)(C)C4)ccc21 524733308 GMHNYGCIDUHZIP-LBPRGKRZSA-N 354.406 2.551 30 40 FFEB C=CCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCOCC2)n1 225924626 NIGVSUFCCLUNNR-UHFFFAOYSA-N 371.466 2.578 30 40 FFEB COc1cc(C=NN=Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O 254395625 YARKTHNUMGKMGS-UHFFFAOYSA-N 360.366 2.585 30 40 FFEB N#C[C@H]1C(=O)Nn2c(c(-c3ccccc3)[nH]c2=N)[C@H]1c1ccc(Cl)cc1 618257295 UNDPHQIIQMHCMN-CABCVRRESA-N 363.808 2.971 30 40 FFEB N#Cc1ccc(N=c2cnc([C@@H]3CCCN3Cc3ccncc3)c[nH]2)cn1 585293598 JMBHKFHMIRLDFE-IBGZPJMESA-N 357.421 2.641 30 40 FFEB Cc1cc(=O)c(C(=O)O[C@H](C)C#N)nn1-c1cccc(C(F)(F)F)c1 6650694 QDUVJNCHJKGARH-SNVBAGLBSA-N 351.284 2.629 30 40 FFEB C#C[C@](C)(CC)OC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1 12421433 UERUPUAVVXIPPP-RTBURBONSA-N 350.890 2.641 30 40 FFEB N#Cc1cccnc1N1CCC(CNC(=O)COc2ccccc2F)CC1 70929165 JEWPCOYOFOIGFS-UHFFFAOYSA-N 368.412 2.504 30 40 FFEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)c(OC)c1OC 18195821 ZHVZDLILLLPSJM-CYBMUJFWSA-N 371.393 2.706 30 40 FFEB CC(C)(CNC(=O)c1ccc(C#Cc2ccccc2)cc1)N1CCOCC1 12788815 PCMIRFNVRKJMQN-UHFFFAOYSA-N 362.473 2.927 30 40 FFEB COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 5629923 KFKBYHGPJYVWDW-LBPRGKRZSA-N 354.362 2.552 30 40 FFEB C[C@@H](Nc1nc2c(cc1C#N)CCCC2)c1cccc(S(N)(=O)=O)c1 95349013 OAGASYNRPOJSOA-GFCCVEGCSA-N 356.451 2.653 30 40 FFEB N#Cc1ccc(NC(=O)NC[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 75109282 RVEDXKGYCKRIGL-SFHVURJKSA-N 362.433 2.771 30 40 FFEB CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2ccc(CC#N)cc2)c1 225965768 GIJIYXBVALCPRZ-UHFFFAOYSA-N 357.435 2.791 30 40 FFEB C[C@H](NCc1cc(O)n2ncc(C#N)c2n1)c1cccc(N2CCCC2)c1 1657960976 LRUTWNXRLNMVKF-AWEZNQCLSA-N 362.437 2.758 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1ccc(N2CCCCC2)o1)C31CC1 1198323 WIMVPYBEPMZMEC-XDMXWWOJSA-N 365.433 2.801 30 40 FFEB C=CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)CCC)ccc21 9166710 XLGUJOXUGUEHTP-UHFFFAOYSA-N 352.456 2.776 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1/N=C/c1cccc(Br)c1)C31CC1 100058678 DFIHFGBEVIWCDN-DBZNJLBHSA-N 371.234 2.980 30 40 FFEB N#CC1(C(=O)N2CCO[C@@H]3C[C@H](COCc4cccnc4)C[C@@H]32)CCCC1 1565554455 RQDUREFSTLKBQL-CEXWTWQISA-N 369.465 2.688 30 40 FFEB N#Cc1ccnc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c1 40049506 YRNLGTUZPZIGLE-UHFFFAOYSA-N 371.238 2.678 30 40 FFEB Cc1ccc(N2/C(=N\C(=O)CC(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 101305770 CCYOHRGMNPFLHY-NHYXNVPJSA-N 366.508 2.643 30 40 FFEB Cc1cccc(N2/C(=N/C(=O)CC(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 11907325 NOCJXLYVJCCLQX-PLDZJGDPSA-N 366.508 2.643 30 40 FFEB N#Cc1ccccc1COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 3523842 GXDVQGHAWHDEAV-UHFFFAOYSA-N 370.430 2.700 30 40 FFEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1C 5377786 QQJIOFACVSBDBZ-PLDZJGDPSA-N 366.508 2.705 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 222372515 PYFMQUCYIDMEMK-CBAMAVOSSA-N 371.780 2.635 30 40 FFEB N#Cc1cccc(C(=O)N2CC3(C[C@H](OCC4CCOCC4)CS3)C2)c1 575403397 JVPFZMUMHRSVFQ-SFHVURJKSA-N 372.490 2.702 30 40 FFEB O=[N+]([O-])c1ccc(O)c(/C=N\CCC/N=C/c2cc([N+](=O)[O-])ccc2O)c1 17429460 AHMDBYWREAVCIQ-OMYAATJGSA-N 372.337 2.842 30 40 FFEB C#CCN1CCC[C@](C[C@@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)OCC)C1 19529977 PZUQQNOZIBUKSV-GHTZIAJQSA-N 372.440 2.987 30 40 FFEB N#CC1(C(=O)N2CCC[C@@]3(CCN(c4cccnc4)C3=O)C2)CCCC1 1565546473 CLJMFHVNELRPSX-HXUWFJFHSA-N 352.438 2.511 30 40 FFEB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)COc2ccc(C#N)cc2)C1 102186320 WHNPZNTYWZLQHS-HRAATJIYSA-N 370.449 2.907 30 40 FFEB COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1 670891 KUAAHTJIQGUODS-HNNXBMFYSA-N 357.406 2.796 30 40 FFEB N#Cc1nc(COc2ccc(Br)cc2)oc1N1CCOCC1 934595 NOXWBWSACSKBPW-UHFFFAOYSA-N 364.199 2.724 30 40 FFEB CCNc1c(NS(=O)(=O)c2cccc(C#N)c2)c(=O)oc2ccccc12 6784679 XVMACSNGCQYNEA-UHFFFAOYSA-N 369.402 2.897 30 40 FFEB CN(C)C(=O)COc1ccc(C(=O)/C=C/c2cccc3c2OCCO3)cc1 54802442 YNOPGCUXLVBFKE-DHZHZOJOSA-N 367.401 2.821 30 40 FFEB CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccccc3C#N)CC2)cc1 57943052 MNVOXYGGBQWQDI-UHFFFAOYSA-N 362.433 2.522 30 40 FFEB C[C@@H](NC(=O)c1ccc(C#N)cn1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 95952918 DZXHTGLQEUMEKL-HIFRSBDPSA-N 358.442 2.719 30 40 FFEB COc1ccc(Cn2nc(OCc3cccc(OC)c3)c(C#N)c2N)cc1 225848279 KPPMNNVPPJNNDF-UHFFFAOYSA-N 364.405 2.981 30 40 FFEB COC(=O)[C@@]1(C)/C(=N/NS(=O)(=O)c2ccc(C)cc2)CCC[C@@H]1C 5812304 LWLNBYRIVLIODI-CBEXDCQMSA-N 352.456 2.629 30 40 FFEB CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 5155904 SOYGORAQXMUYRL-IZZDOVSWSA-N 360.391 2.741 30 40 FFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](O)c1ccc(F)cc1 31322147 RUDWNKLWNZUMQV-INIZCTEOSA-N 353.353 2.853 30 40 FFEB Cc1nnc(N2CCN(C(=O)Cc3ccccc3Cl)CC2)c(C#N)c1C 58166000 DOPUCWLHKNUTJU-UHFFFAOYSA-N 369.856 2.510 30 40 FFEB Cc1nn(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)c(=O)c(C#N)c1C 58226813 RAZQEHKMVBHRQT-UHFFFAOYSA-N 363.396 2.594 30 40 FFEB CCNC(=S)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1 107889947 DFVPPJBUAGOVMI-UDWIEESQSA-N 356.451 2.522 30 40 FFEB C=CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)c(C)c2)C(=O)NC1=S 408901011 BMLGZBZLAZFOQV-DTQAZKPQSA-N 369.490 2.798 30 40 FFEB COc1ccc(C(=O)C2CCN(CC(=O)NC3(C#N)CCCC3)CC2)cc1 8757330 CWKYYJLQNHQIJD-UHFFFAOYSA-N 369.465 2.542 30 40 FFEB N#Cc1cccc(C(=O)N2CC3(C[C@H](Oc4ncccc4F)CS3)C2)c1 575404052 LWOCQBVCONKFMG-HNNXBMFYSA-N 369.421 2.871 30 40 FFEB Cc1ccc(N2/C(=N/C(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1C 16741162 CJUNPTAMUJDFHU-QDASYUEBSA-N 366.508 2.561 30 40 FFEB CCOc1ccc(C2=C(C(C)=O)Sc3nnc(C)n3N2C(C)=O)cc1 4518281 NSTFWSRQFHWBEF-UHFFFAOYSA-N 358.423 2.533 30 40 FFEB N#Cc1cccc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 24711152 YHULBLNYOWIIQL-UHFFFAOYSA-N 367.361 2.660 30 40 FFEB Cc1ccc(N(CCC#N)C(=O)CN2CCN(c3nccs3)CC2)cc1 35277915 JCFCBOOHXQXQMF-UHFFFAOYSA-N 369.494 2.520 30 40 FFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC12CC3CC(CC(C3)C1)C2 12699022 OHGIEJPWGFZOAT-UHFFFAOYSA-N 353.466 2.881 30 40 FFEB N#Cc1ccc(N2CCC(C(=O)OCCOc3ccccc3F)CC2)nc1 22226239 YQAJTCQKFUQKDL-UHFFFAOYSA-N 369.396 2.931 30 40 FFEB C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@@H](CNCc3cccnc3)C(=O)O[C@@H]1C2 3999469 VQWYYIOVDKGSML-ZPMOIGASSA-N 356.466 2.698 30 40 FFEB biogenic CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 6047997 QSVXMQIOYOMKEI-LFYBBSHMSA-N 360.391 2.741 30 40 FFEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@H](F)[C@]2(O)C(=O)CO 118927081 OYOTUJJSZZYQPO-HAFCSRAXSA-N 364.457 2.759 30 40 FFEB O=S(=O)(/N=C(\O)c1ccc(Cn2cccn2)cc1)c1ccc(F)cc1 42250489 YYAYSVGMZXRURK-UHFFFAOYSA-N 359.382 2.764 30 40 FFEB C=CCN(Cc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(OC)cc1 225148110 XETYRGWRZSZLEV-UHFFFAOYSA-N 361.419 2.770 30 40 FFEB CC1(C)CC(=O)C2=C(C1)Nc1c(C(N)=O)cnn1[C@@H]2c1ccccc1F 49547121 UGEXQXABFMMENB-MRXNPFEDSA-N 354.385 2.779 30 40 FFEB CC(C)(C)OC(=O)N1CCC[C@@H](S(=O)(=O)c2ccccc2C#N)C1 89212832 XAAPNAMVRJYHQW-CQSZACIVSA-N 350.440 2.731 30 40 FFEB CC1(C)OB([C@H]2CCN(C(=O)N3CCCO[C@@H]4CCC[C@H]43)C2)OC1(C)C 1776007775 WZIUECXRUNCSDW-ARFHVFGLSA-N 364.295 2.918 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1cccc(Br)c1 169690748 VOZDCUJQJWMUDR-SEVWKBAHSA-N 359.223 2.980 30 40 FFEB CC(=O)[C@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 118929735 VZDIQCCVBGYEMW-SWHJABLHSA-N 374.452 2.843 30 40 FFEB COc1ccc(OC)c([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C)nn32)c1 22608113 WPOVEXVHUYARHD-MGNBDDOMSA-N 354.410 2.872 30 40 FFEB CC(C)Oc1ccc(/C=N\Nc2c([N+](=O)[O-])nn(C)c(=O)c2Cl)cc1 31792635 SZCHPLKZRYIPBI-IUXPMGMMSA-N 365.777 2.575 30 40 FFEB N#C[C@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 218506848 PMDUAGOOQXJPRP-YESZJQIVSA-N 365.813 2.921 30 40 FFEB Cc1ccccc1OCCCN1C(=O)/C(=N\O)c2cc([N+](=O)[O-])ccc21 46084779 AKTZQLINTQOGTE-ZPHPHTNESA-N 355.350 2.897 30 40 FFEB N#Cc1ccccc1NC(=O)CCN1CCN(Cc2ccccc2F)CC1 48365805 IONVBMXCXWAQAZ-UHFFFAOYSA-N 366.440 2.844 30 40 FFEB C[C@H]1CN(C2CCOCC2)CCN1/C(O)=N/[C@H](c1cccnc1)C1CC1 330259514 NKHYYWHMRGTASE-KXBFYZLASA-N 358.486 2.632 30 40 FFEB Cc1nnc(/N=C2\NC(=O)/C(=C/c3cnc4ccccc4n3)S2)s1 256055675 PHOAJBHCDZLIGK-SDQBBNPISA-N 354.420 2.681 30 40 FFEB Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)Nc2csc(C)n2)n1 204064261 NJHXDYAKOFCPQD-UHFFFAOYSA-N 359.260 2.706 30 40 FFEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CCOCC3)c2)c1 48361632 JPYIGGLRDVPQFG-UHFFFAOYSA-N 364.401 2.737 30 40 FFEB Cn1cc2c(C(F)F)cc(=O)n(CCC(=O)Nc3ccccc3C#N)c2n1 36621346 CWRWUZQEGGMKJN-UHFFFAOYSA-N 371.347 2.573 30 40 FFEB Cc1nn(C)c(C)c1S(=O)(=O)/N=C(\O)CCc1ccc(Cl)cc1 48534617 JMNYDSMUIACYPU-UHFFFAOYSA-N 355.847 2.968 30 40 FFEB C/C(=N\Nc1nc(N2CCCC2)nc(N2CCCC2)n1)c1cccs1 5370623 RLHQMIXIECDQET-FYJGNVAPSA-N 357.487 2.970 30 40 FFEB CC(C)C(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 5376922 PPEPWAIYOHHOIV-OVJMFRMASA-N 372.899 2.597 30 40 FFEB CC(C)Oc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c(O)c1 408586921 DBYUGWQZRAKSPL-GOUORIBYSA-N 366.417 2.566 30 40 FFEB COc1ccc2c(c1)OC[C@H](/N=C(/O)N1CCN(c3cccs3)CC1)C2 329025314 VETWEHXRFDYPBE-OAHLLOKOSA-N 373.478 2.796 30 40 FFEB C=CCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCCCC2)n1 225924081 DKCPYXLJFVSEMR-UHFFFAOYSA-N 360.531 2.930 30 40 FFEB C=CCN1C(=O)CCC[C@]12CCCN(S(=O)(=O)c1ccc(F)cc1)C2 96229971 XARBNWJBERAGCT-GOSISDBHSA-N 366.458 2.548 30 40 FFEB COc1ccc(Cl)cc1C(=O)NCC#CCOc1ccc2c(c1)OCO2 90610503 VNJXMVPAJWWFAN-UHFFFAOYSA-N 373.792 2.890 30 40 FFEB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC#N)C2=O)cc1 2747390 BEGBMWNZKMTWQT-FOWTUZBSSA-N 361.357 2.564 30 40 FFEB CCOC(=O)/C(=C/c1ncc(C(F)(F)F)cc1Cl)N/C=N/OC 3104213 RWTOXQGXELIVFY-WZUFQYTHSA-N 351.712 2.837 30 40 FFEB Cc1cc(C(=O)COc2ccc(C#N)cc2)c(C)n1[C@@H]1CCS(=O)(=O)C1 6648320 BWIYPDMZGFILMW-MRXNPFEDSA-N 372.446 2.598 30 40 FFEB COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)Nc1ccccc1C#N 7057931 CCILZSUOYHIBCQ-GFCCVEGCSA-N 352.394 2.964 30 40 FFEB CCNC(=O)c1cccc(NC(=O)COc2ccc(C#N)cc2OCC)c1 7462641 SJGQECNDHIUAJV-UHFFFAOYSA-N 367.405 2.724 30 40 FFEB C[C@H]1CN(CC2CCN(CCOc3ccccc3C#N)CC2)C[C@@H](C)O1 60368352 FIQVYRVGVWGEFB-HDICACEKSA-N 357.498 2.758 30 40 FFEB C#CCOc1ccccc1CN1CCc2nc(-c3ccncc3)nc(O)c2C1 72339834 IWWZLVROOZWPDK-UHFFFAOYSA-N 372.428 2.815 30 40 FFEB N#Cc1ccccc1CS(=O)(=O)/N=C(O)/C=C/c1ccc2c(c1)CCO2 84505936 IZSWUWZJVNUMKX-SOFGYWHQSA-N 368.414 2.993 30 40 FFEB Cc1nnn(/C(=C/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)C)n1 16363532 QTCDEHTWCGFKMI-GVEGSRHVSA-N 374.361 2.783 30 40 FFEB COc1ccc(/C=N\N2CCN(/N=C/c3ccc(OC)cc3)CC2)cc1 17422744 WTHMMTXVAIRSAJ-KBNZVFGVSA-N 352.438 2.689 30 40 FFEB O=C1CN2C(=C1c1nc3ccccc3[nH]1)NC(=O)c1cc(Cl)ccc12 3171544 GGLSXTBTNUQWGR-UHFFFAOYSA-N 350.765 2.718 30 40 FFEB C#CCNC(=O)[C@H](C)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 40105849 LCYGPKRATSMXHZ-KRWDZBQOSA-N 354.494 2.918 30 40 FFEB C/C(O)=C1\C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(N(C)C)cc1 102430056 RHFQNQXWODZPHW-VJSYINPZSA-N 351.406 2.632 30 40 FFEB C[C@@H](CCc1ccccc1)NC(=O)COCC(=O)Nc1ccc(C#N)cc1 4680318 VOGCSKMNKOULLV-INIZCTEOSA-N 365.433 2.651 30 40 FFEB N#Cc1nc(NC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)[nH]c1C#N 58193135 PBKSBQWUFFRKNW-QWRGUYRKSA-N 356.183 2.658 30 40 FFEB N#Cc1c(F)cccc1NCCNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 58356393 HLLYPDHLXMYFQK-SFHVURJKSA-N 370.359 2.558 30 40 FFEB C[C@H](Sc1nnc(C(F)(F)F)n1C)C(=O)Nc1ccccc1C#N 3414096 JMDLTFWNQLPDPB-QMMMGPOBSA-N 355.345 2.825 30 40 FFEB COC(=O)c1ccc(-c2ccc(/C=N\N3C(=O)CSC3=S)o2)cc1 409349689 VXVCUKZTLHBIRC-IUXPMGMMSA-N 360.416 2.927 30 40 FFEB C=CCN1C(=O)NC(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 4599994 LLPOHAFEXLIOCN-RAXLEYEMSA-N 367.317 2.503 30 40 FFEB NC(=S)N1N=C(c2ccccc2)/C(=N/Nc2ccc(Cl)cc2)C1=O 5528225 QCMPKCARNGGZAM-ZHZULCJRSA-N 357.826 2.598 30 40 FFEB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2cc(C#N)ccc2F)C1 548011109 WAMMJWIKRCDZLR-SFHVURJKSA-N 358.442 2.700 30 40 FFEB N#Cc1cccc(C(=O)OCC(=O)NCc2cccc(Br)c2)c1 72333960 RFEQJMYVSVEZRH-UHFFFAOYSA-N 373.206 2.794 30 40 FFEB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(CC#N)cc3)ccc21 224613199 MUKGPIGMEIHYLP-UHFFFAOYSA-N 369.446 2.853 30 40 FFEB C#CCCCCCC(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@@H](CC)CC(F)F 1775988989 XPKVZFVSHVBGEK-JKSUJKDBSA-N 374.472 2.529 30 40 FFEB Oc1ccc2ccccc2c1/C=N/Nc1ncc(F)c(N2CCOCC2)n1 15009467 OQGJWSSCBQFMBN-SSDVNMTOSA-N 367.384 2.757 30 40 FFEB COc1ccc(/C=N/N2CCN(/N=C/c3ccc(OC)cc3)CC2)cc1 1700784 WTHMMTXVAIRSAJ-YHARCJFQSA-N 352.438 2.689 30 40 FFEB CC(C)Cc1nc(OCC(=O)NCc2ccco2)c(C#N)c2c1CCC2 32104330 WZQQUZZDTDZVGC-UHFFFAOYSA-N 353.422 2.929 30 40 FFEB Cc1c(C#N)c(NC(=O)CN2CCO[C@@H](C)C2)n(-c2ccccc2)c1C 24045160 SDWFDHPWIGVCOK-AWEZNQCLSA-N 352.438 2.625 30 40 FFEB COC1=CC(=O)C=C(C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O 3132633 ISLYVROQSJYFAZ-KRWDZBQOSA-N 350.754 2.730 30 40 FFEB biogenic,in-vitro CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 101317406 PPEPWAIYOHHOIV-BREGNPSQSA-N 372.899 2.597 30 40 FFEB COc1ccc(CCN(C)C(=O)COc2ccc(C#N)cc2)cc1OC 3274056 RJZCSXFRZVXFQD-UHFFFAOYSA-N 354.406 2.655 30 40 FFEB CSc1ncccc1C(=O)OCC(=O)N(CCC#N)c1ccccc1 2634623 WWRDVDBPRCHJAQ-UHFFFAOYSA-N 355.419 2.907 30 40 FFEB O=C1C[C@H](c2cc3c(cc2Br)OCO3)C2=C(CCCC2=O)N1 4100984 SJDVXCZQYJPNDB-SECBINFHSA-N 364.195 2.788 30 40 FFEB COc1cccc(/C=N/Nc2[nH]c(=O)nnc2C)c1OCc1ccccc1 4422759 YILWOMVMQZXESR-RGVLZGJSSA-N 365.393 2.507 30 40 FFEB COCc1c(C#N)c(O)nc(/C=C/c2ccc(O)c(OC)c2)c1[N+](=O)[O-] 409207527 WACMCKZXSLELPF-HWKANZROSA-N 357.322 2.598 30 40 FFEB CCOc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408532658 ISUTVOAZCKUELB-AWEZNQCLSA-N 369.352 2.826 30 40 FFEB COc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 408530674 FOURJRCMPVXUND-INIZCTEOSA-N 351.362 2.605 30 40 FFEB CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2ccccc2O)S1 409078633 HRZCJDDFAVTODN-RAXLEYEMSA-N 361.419 2.740 30 40 FFEB CN(C)c1cccc(C(=O)N2CCC(Oc3ncccc3C#N)CC2)c1 96119291 UVPZJOJLIULEIK-UHFFFAOYSA-N 350.422 2.703 30 40 FFEB O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1/N=C/c1cc([N+](=O)[O-])ccc1Cl 1529454204 GNGLISLAPJLWTP-AVOZCFMNSA-N 371.780 2.635 30 40 FFEB C=CCn1c(SCC(=O)N2CCCC2)nc2sc(CC)cc2c1=O 5020754 NYJCXQQZIWAHIZ-UHFFFAOYSA-N 363.508 2.921 30 40 FFEB C/N=C1\S/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)C(=O)N1C 15013412 PHTUFSVFQDRJJL-LENJVWSZSA-N 361.467 2.836 30 40 FFEB N#Cc1ccsc1NC(=O)CCCS(=O)(=O)c1ccc(F)cc1 10218987 STGSWHSHIMQGEF-UHFFFAOYSA-N 352.412 2.951 30 40 FFEB COC(=O)C[C@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccc(F)cc1 40158699 CKFFWMHYIDMRPI-UGSOOPFHSA-N 370.380 2.885 30 40 FFEB C=CCOc1ccc(C(=O)N2CCN(CCc3ccncc3)CC2)cc1 20896939 FHTSMBAPBRNEJV-UHFFFAOYSA-N 351.450 2.647 30 40 FFEB N#Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)cc1Cl 3436756 KVDSIJIXBXWOQO-UHFFFAOYSA-N 358.737 2.736 30 40 FFEB Cc1cccc2c1N(C)C(=O)/C2=N/Nc1nnc2c(n1)[nH]c1ccccc12 100513240 MMHGTKBZRHGFFB-HZHRSRAPSA-N 357.377 2.607 30 40 FFEB Cc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2C#N)c1 3381201 NGLBTTNBFUTQOH-UHFFFAOYSA-N 350.407 2.573 30 40 FFEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccccc1F 102875952 XJUPFIHMXMEERR-IBOXJLQUSA-N 374.437 2.871 30 40 FFEB CCNC(=O)Nc1c[nH]nc1[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1 96000026 MVCKLHUZBULVCE-MRXNPFEDSA-N 369.444 2.921 30 40 FFEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccco1 5576898 FZYZWJLFABDXRG-UYTDBDHRSA-N 374.824 2.916 30 40 FFEB COc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2ccccc2Cl)C1=O 408535598 OFWIUHCUVIROEN-NSHDSACASA-N 371.780 2.950 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)COc1cccc([N+](=O)[O-])c1 32816377 OPVJNJUYEUMKOR-UHFFFAOYSA-N 355.350 2.528 30 40 FFEB C=CCN(Cc1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)c1ccccc1 224471507 BTPLDDQVDPLNPT-UHFFFAOYSA-N 370.474 2.956 30 40 FFEB N#Cc1ccc(OCCNC(=O)N2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 595526121 JULFNHSAAWKFJN-MJGOQNOKSA-N 357.454 2.928 30 40 FFEB C#CCN(Cc1ccc(F)cc1)C(=O)C1=NN(c2ccccc2)C(=O)CC1 60163539 BKNVYRXGFSOGBL-UHFFFAOYSA-N 363.392 2.971 30 40 FFEB NS(=O)(=O)c1ccc(-c2ccc(/C=N/NCc3ccccc3)o2)cc1 2419346 GHOFPAZRKSGDJB-FYJGNVAPSA-N 355.419 2.718 30 40 FFEB Cc1cc(C(F)(F)F)c(C#N)c(SCCN2C(=O)NC(C)(C)C2=O)n1 31445133 QOFRORLRZHNUMW-UHFFFAOYSA-N 372.372 2.703 30 40 FFEB CC(=O)c1ccc[n+](CC(=O)Nc2ccc(Br)cc2F)c1 2646967 QSTHHWBCRZNZRH-UHFFFAOYSA-O 352.183 2.717 30 40 FFEB O=C1CCCC2=C1[C@H](c1ccco1)c1c([nH]c(N3CCCCC3)nc1=O)N2 22607094 ALTRAKSOGLGBCF-INIZCTEOSA-N 366.421 2.918 30 40 FFEB C[C@@H](Sc1nnnn1C(C)(C)C)C(=O)N(C)C1(C#N)CCCCC1 14183919 JZUAPQBJHNTVNN-GFCCVEGCSA-N 350.492 2.594 30 40 FFEB CCCCCCCCCn1c(=O)c2c(nc3n2CCS3)n(C)c1=O 8435041 UXBQMCYEMVEUCL-UHFFFAOYSA-N 350.488 2.753 30 40 FFEB COc1cccc(/C=N\c2ccc(O)c(C(=O)O)c2)c1O[C@@H](C)C(=O)O 409240882 QOKLUIQUOKACGL-OVNPTBDBSA-N 359.334 2.702 30 40 FFEB O=C1N/C(=N\N=C/c2ccc3c(c2)OCO3)S/C1=C/c1ccc(O)cc1 14920710 LAEZKLSEBCXNFB-CCFWOGRNSA-N 367.386 2.715 30 40 FFEB O=S(=O)(/N=C(\O)c1cc(Cl)c2c(c1)OCCCO2)c1cccnc1 42322693 XOSWIJSZQWJBQV-UHFFFAOYSA-N 368.798 2.590 30 40 FFEB N#Cc1ccsc1NC(=O)COC(=O)c1cncc(Br)c1 6916520 QUDAEAKRHOBGRX-UHFFFAOYSA-N 366.196 2.573 30 40 FFEB COC(=O)c1ccc(COc2ccc(/C=N/N3CCOCC3)cc2)cc1 3254684 CEIYFNGYLOYIHO-KGENOOAVSA-N 354.406 2.718 30 40 FFEB C=CCN1C(=O)N/C(=C\c2cc(Br)cc(Cl)c2O)C1=O 409139355 AAQIPEUHCOYVSQ-YHYXMXQVSA-N 357.591 2.887 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccco1 15107746 RIWHHPGYXMRLRB-MRXNPFEDSA-N 357.362 2.513 30 40 FFEB C#CCN1CCC[C@@](C[C@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)OCC)C1 19529983 PZUQQNOZIBUKSV-NQIIRXRSSA-N 372.440 2.987 30 40 FFEB CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1 22960046 LDRVWHPLMMRQQS-UHFFFAOYSA-N 357.435 2.887 30 40 FFEB N#C[C@@H](C(=O)c1ccc(CNC(N)=O)cc1)c1ccc(C(F)(F)F)cn1 41555822 BDQLYJCRLDDXQN-CYBMUJFWSA-N 362.311 2.759 30 40 FFEB COc1ccccc1C(=O)C[n+]1c(C)n(C(F)F)c(=O)c2ccccc21 2546694 SSTVDZPPALGVOQ-UHFFFAOYSA-N 359.352 2.884 30 40 FFEB C=C(C)Cn1c(SCC(=O)OC)nc2sc3c(c2c1=O)CCC3 985755 KITQYJFMJGWUDP-UHFFFAOYSA-N 350.465 2.788 30 40 FFEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1cccnc1 959813 PBTAOTCVFDCJLX-CYBMUJFWSA-N 354.435 2.841 30 40 FFEB C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cccnc1 24334584 IRHFHKQSTUKCET-UHFFFAOYSA-N 354.406 2.775 30 40 FFEB C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c1C 9495488 KNGKGNXAIKOQOC-IBGZPJMESA-N 355.394 2.534 30 40 FFEB C[C@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1NS(C)(=O)=O 56962294 PIPYTRCOWXWDIK-ZDUSSCGKSA-N 357.435 2.615 30 40 FFEB 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C=CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)cc1 18196036 NQBGHGRPONJFQU-KRWDZBQOSA-N 351.410 2.896 30 40 FFEB COc1cc(Cl)c(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1OC 408586095 BIXJJNKIUYTGIO-IAXPNRCRSA-N 374.824 2.888 30 40 FFEB CCCNC(=S)NCCCNc1nc2cc3c(cc2cc1C#N)OCO3 35311311 TUHRQUOPSDEOBP-UHFFFAOYSA-N 371.466 2.511 30 40 FFEB CNc1oc(-c2ccc(S(=O)(=O)N(C)c3ccccc3)o2)nc1C#N 71286612 ZMSSTBMNPIPXCQ-UHFFFAOYSA-N 358.379 2.673 30 40 FFEB CCOc1ccccc1/C(O)=N/S(=O)(=O)c1ccsc1C(=O)OC 48512329 MJKBKZUPCKUQFU-UHFFFAOYSA-N 369.420 2.627 30 40 FFEB CC(C)Cc1nnc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)s1 40032307 OFWQDAFZTKSPQD-UHFFFAOYSA-N 370.482 2.858 30 40 FFEB Cc1ccc([C@@H]2C3=C(Nc4[nH]c(N)nc(=O)c42)c2ccccc2C3=O)cc1 40382594 ZTPLQYDLTLOZBX-CQSZACIVSA-N 356.385 2.826 30 40 FFEB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)N1CCN(c3cc(C#N)ccn3)CC1)C2 102390398 HPSXCHOMFMIBHS-FVJLSDCUSA-N 367.497 3.000 30 40 FFEB C[C@H]1CCCC[C@@H]1OCCNC(=O)C1CCN(c2ccc(C#N)cn2)CC1 47188818 ZSHAFCVXZVZQPL-LPHOPBHVSA-N 370.497 2.881 30 40 FFEB Cc1ccc(N(CC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)c(C)c1 881243 NJJDUTOABZMJMT-UHFFFAOYSA-N 371.462 2.774 30 40 FFEB C[C@H]1C[C@H]2[C@@H]3CC[C@@]4(OCC4=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 4721192 DASNFNKDVQBNIO-PJHHCJLFSA-N 356.462 2.849 30 40 FFEB N#Cc1ccccc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 6509965 MOYKHZASILOFJX-UHFFFAOYSA-N 361.854 2.723 30 40 FFEB C[C@H]1CCCC[C@@H]1NC(=O)CN1CCCN(c2ccccc2C#N)CC1 46086738 OYPKDNSEVWOEOP-HKUYNNGSSA-N 354.498 2.765 30 40 FFEB N#Cc1ccc(F)c(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 29878208 KZQUZCZNEIIVTB-UHFFFAOYSA-N 358.281 2.734 30 40 FFEB CCOc1ccc(S(=O)(=O)/N=C(\O)[C@H]2CC(=O)Nc3ccccc32)cc1 48452305 BCRKEANKYYNGMG-HNNXBMFYSA-N 374.418 2.857 30 40 FFEB COc1ccc(S(=O)(=O)/N=C(O)/C=C/c2ccccc2C#N)c(OC)c1 48611387 RZYPGLYGAVWWJL-JXMROGBWSA-N 372.402 2.934 30 40 FFEB C[C@@H](C/C(O)=N/S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccncc1 84636811 JYNIPHYJXKKLPO-LBPRGKRZSA-N 363.395 2.970 30 40 FFEB C=CCN(c1ccc(C(=O)N2CCc3ccccc32)cc1)S(C)(=O)=O 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2.757 30 40 FFEB CCOC(=O)N1CCN(c2oc(-c3ccc(OC)cc3)nc2C#N)CC1 16742371 BELCDRBKQISKNZ-UHFFFAOYSA-N 356.382 2.500 30 40 FFEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O 409122838 CGPSACVLTDXJCR-CXUHLZMHSA-N 365.389 2.902 30 40 FFEB CC/N=C1\S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1CC 409127794 HPYFIEQRUAMSOS-SOBIRXOSSA-N 363.458 2.974 30 40 FFEB C=CCN1CCC2(CC1)C[C@H](NC(=O)[C@H]1CCCO1)c1ccccc1O2 96242785 URENPOLZIGBXDH-PKOBYXMFSA-N 356.466 2.826 30 40 FFEB CCn1cnnc1N=C(O)c1scc(C)c1I 330640266 QBWRDMJYVSJYKY-UHFFFAOYSA-N 362.196 2.909 30 40 FFEB COc1cccc(C[C@@H](C)/N=C(/O)N2CCC(O)(C(F)(F)F)CC2)c1 330709809 SLLMFRDWSSACFB-GFCCVEGCSA-N 360.376 2.929 30 40 FFEB O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1/N=C/c1ccc(Br)cc1 239229090 URPZHFWDRVPDSQ-WGGGBPLMSA-N 371.234 2.836 30 40 FFEB NC(=O)c1cc(C2=NN/C(=N\c3ccccc3Cl)SC2)ccc1O 15404883 SEHXKZWTPGKUBO-UHFFFAOYSA-N 360.826 2.873 30 40 FFEB C=CCOc1ccc(C(=O)N2CC[C@@H]3CN(C(C)C)CCO[C@@H]3C2)cc1 1565545305 CWBXZUWNCSEBPU-UYAOXDASSA-N 358.482 2.823 30 40 FFEB Cc1ccc(OCCNC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1 48234508 KQQKPQKLNVISDR-UHFFFAOYSA-N 364.449 2.673 30 40 FFEB O=C(C[C@H]1S/C(=N\Cc2ccco2)NC1=O)Nc1ccc(F)cc1F 7785088 ZWWOUUUJHVYEBQ-CYBMUJFWSA-N 365.361 2.674 30 40 FFEB N#Cc1c(COC(=O)c2ccccc2SCC(N)=O)cn2ccccc12 95947323 JYXQCIMYHMOOTM-UHFFFAOYSA-N 365.414 2.745 30 40 FFEB N#CC1(C#N)[C@@H](c2ccccc2F)[C@H](C(N)=O)N2C=Cc3ccccc3[C@H]21 35366063 QORXRGSJTNDETJ-OTWHNJEPSA-N 358.376 2.838 30 40 FFEB CC(=O)c1c(C)oc(NC(=O)Cn2c(=O)sc3ccccc32)c1C#N 95482153 CSAMYHVHPUUFCS-UHFFFAOYSA-N 355.375 2.677 30 40 FFEB C=CCOc1ccccc1NC(=O)Cn1cnc2sc(C)cc2c1=O 12204278 DBXPHVHVTRWVDZ-UHFFFAOYSA-N 355.419 2.970 30 40 FFEB C=CCn1c(=O)c(C(=O)NC2CCCC2)c(O)c2cc(OC)c(OC)cc21 100643327 KLYFZECRZMKAMO-UHFFFAOYSA-N 372.421 2.583 30 40 FFEB Cc1ccc(C(=O)NCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)no2)cc1 12699447 VKBDVIHURUOUIY-KRWDZBQOSA-N 374.400 2.960 30 40 FFEB Cc1cc(OCC(=O)Nc2cccc(C#N)c2)nc(N2CCC[C@H](C)C2)n1 44168752 DTLYZUYRSGRNPQ-AWEZNQCLSA-N 365.437 2.911 30 40 FFEB C#CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1 39987639 LILHGVZGJVGECY-UHFFFAOYSA-N 354.840 2.565 30 40 FFEB CCOC(=O)[C@@H]1C(=O)C=C(C)[C@H](C(=O)OCC)[C@H]1c1ccc(OC)cc1 4369022 AVFICRAHJIFRSB-RCCFBDPRSA-N 360.406 2.666 30 40 FFEB COc1ccc(/C=N/Nc2ccc3nnc(C(F)(F)F)n3n2)cc1OC 4462141 FGSSEZBTRYHWJH-UFWORHAWSA-N 366.303 2.606 30 40 FFEB C=CCN1C(=O)[C@@](O)(CC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 4554659 BVQXZXLERKOMSZ-LJQANCHMSA-N 352.346 2.588 30 40 FFEB Cc1ccc(N/C(=N\OCc2ccccc2[N+](=O)[O-])c2nonc2N)cc1 4713859 KCRYQTTZKHJRNN-UHFFFAOYSA-N 368.353 2.859 30 40 FFEB C=CCN1C(=O)/C(=C/c2ccc3c(c2)CCCN3CCC)C(=O)NC1=S 9359322 CBVRNKHUXZRTLB-DTQAZKPQSA-N 369.490 2.662 30 40 FFEB C=CCOc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1OC 7946232 YLQBWOPAVCYEPM-CPNJWEJPSA-N 360.435 2.881 30 40 FFEB COCc1cc(C)n(CC(=O)Nc2ccc(F)c(Cl)c2)c(=O)c1C#N 409411572 JNDKUCLPKDLMIS-UHFFFAOYSA-N 363.776 2.606 30 40 FFEB COc1ccccc1N=C[C@@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408530290 DVMRSLVOJSGOKR-CYBMUJFWSA-N 371.780 2.950 30 40 FFEB COc1cc(OC)c(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1Cl 408589920 NMLZHXDVKLQSQV-IAXPNRCRSA-N 374.824 2.888 30 40 FFEB CC(C)Cc1nc(NCCN2CCOCC2)c(C#N)c2c1COC(C)(C)C2 20057761 IIARJMCXJPUJIC-UHFFFAOYSA-N 372.513 2.747 30 40 FFEB C=CCn1c(SCc2nc(C)cc(=O)[nH]2)nnc1-c1ccccc1OC 79063418 VUMOOFHLFUKQEU-UHFFFAOYSA-N 369.450 2.824 30 40 FFEB C[C@@H](Sc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccccc1C#N 20312307 XZYBINXTJPVMFL-LLVKDONJSA-N 350.403 2.914 30 40 FFEB N#CCCN(C(=O)COC(=O)c1ccc2c(c1)OCO2)c1ccccc1 3219222 BKMWYNDQRGFXKW-UHFFFAOYSA-N 352.346 2.519 30 40 FFEB CCCCCCOc1ccc(/C=N/Nc2nc(=O)[nH]nc2C)cc1OC 3947138 OIYLCJPMWIWXDR-XDHOZWIPSA-N 359.430 2.887 30 40 FFEB CCOc1cc2c(cc1CNS(=O)(=O)c1ccc(C#N)cc1)O[C@@H](C)C2 7973330 WWBRUCHJCURJQE-ZDUSSCGKSA-N 372.446 2.759 30 40 FFEB COC(=O)C1=C(C(=O)c2cccs2)[C@@H](c2ccccc2)NC(=O)N1C 8718071 OBSXNYGZZRPIBI-CQSZACIVSA-N 356.403 2.754 30 40 FFEB O=c1c2c(-c3ccc(Cl)cc3)n3ncnc3nc2ccn1CCS 38828831 PGRRIHOXGMQLOR-UHFFFAOYSA-N 357.826 2.689 30 40 FFEB O=C1CS/C(=N/N=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)N1 16385960 VTQVFTPCMXEXTN-FMQZQXMHSA-N 363.782 2.851 30 40 FFEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cccc(Br)c1)[C@@H]1C=C[C@@H]2C12CC2 100058680 DFIHFGBEVIWCDN-HPJRRFGBSA-N 371.234 2.980 30 40 FFEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2ccc(O)cc2)no1 102894751 TZFXVDHTFVYEGF-IBOXJLQUSA-N 366.329 2.908 30 40 FFEB CN(/N=C\c1ccc(O)c(/C=N\N(C)c2ccccn2)n1)c1ccccn1 104277456 AOMWJYYZXINVIA-SJZPPUTKSA-N 361.409 2.518 30 40 FFEB Cc1nn(Cc2ccccc2C#N)c(C)c1S(=O)(=O)N1CCCCC1 48325128 AWTWIXLDFFUTAH-UHFFFAOYSA-N 358.467 2.595 30 40 FFEB Cc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2[nH]c(N)nc(=O)c21 4385826 NXHWZRBAIVYDLC-CQSZACIVSA-N 350.422 2.861 30 40 FFEB COCCn1c(S[C@H](C)C#N)nc2ccc(Br)cc2c1=O 7136918 JIZXTUQYLLFCJC-SECBINFHSA-N 368.256 2.810 30 40 FFEB Cc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(N(C)C)cc3)C2=O)c1 408528625 BQHMBLAFQDZIOF-KRWDZBQOSA-N 364.405 2.663 30 40 FFEB COc1cccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c1 409239697 IMQMNNAZQODSMO-KGENOOAVSA-N 354.406 2.683 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)NC[C@H](CC)CCCC 408708146 HECOKHSARFCZFD-OAHLLOKOSA-N 359.470 2.874 30 40 FFEB COc1ccc(NC(=O)COc2nc3c(cc2C#N)COC(C)(C)C3)cc1 32072963 OAKIBXJYDAKQPY-UHFFFAOYSA-N 367.405 2.831 30 40 FFEB N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 49634688 CHLFDBRLTCKMET-GOSISDBHSA-N 350.378 2.617 30 40 FFEB Cc1nc(CN2CCN(/C(O)=N/[C@@H]3CCCC(F)(F)C3)CC2)oc1C 330239012 VLTOHGIIIHQPEO-CQSZACIVSA-N 356.417 2.901 30 40 FFEB COc1ccc2[nH]c3c(=O)n(/N=C/c4ccc(N(C)C)cc4)cnc3c2c1 2273759 HQQOAPUBFNQPNM-SSDVNMTOSA-N 361.405 2.835 30 40 FFEB c1ccc2c(c1)nc(CCc1nc3ccccc3n1C[C@@H]1CO1)n2C[C@@H]1CO1 13510293 CUELOFIXKPKDDH-HZPDHXFCSA-N 374.444 2.969 30 40 FFEB Cc1ccc(N2/C(=N/C(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1C 16741164 CJUNPTAMUJDFHU-MPOGACDISA-N 366.508 2.561 30 40 FFEB O=C(O)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(F)cc1 102529936 QWQMQFVFVHVSAM-GROYHEBESA-N 369.348 2.722 30 40 FFEB C#CCNC(=O)c1ccccc1NCC(=O)Nc1ccccc1OC(F)F 58171100 GXCDWLSDVUGSJR-UHFFFAOYSA-N 373.359 2.702 30 40 FFEB N/C(=N/OCC(=O)Nc1ccc(Br)cc1)c1cccs1 48376143 YQLSUCZIQMIXGT-UHFFFAOYSA-N 354.229 2.786 30 40 FFEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3cccc([N+](=O)[O-])c3)cnc12 2406484 JAHDLEIXEXBDNM-AWQFTUOYSA-N 363.333 2.677 30 40 FFEB CCCn1c(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)n[nH]c1=O 21126064 MBFCMFAIPIQLDM-LFIBNONCSA-N 372.494 2.954 30 40 FFEB C=C(C)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 9061327 AXQFWLLISVKKMG-ZIAGYGMSSA-N 356.900 2.991 30 40 FFEB O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1)c1ccccc1 4192532 IDAWQJVAACQITB-LHANULRTSA-N 372.471 2.602 30 40 FFEB Cc1cc(C=Nn2c(O)nc3ccccc3c2=O)c(C)n1-c1cccnc1 409349532 UEXVNVIIZIABAL-UHFFFAOYSA-N 359.389 2.787 30 40 FFEB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1sccc1C#N 17306032 PPDCBMPBTMLAGA-CYBMUJFWSA-N 366.450 2.832 30 40 FFEB CCCC/C(O)=N/S(=O)(=O)c1ccc(/N=N/N2CCOCC2)cc1 18115947 WFHDRAUEQWFNNW-FBMGVBCBSA-N 354.432 2.853 30 40 FFEB COc1ccc([C@@]2(C)NC(=O)N(/N=C/c3ccc(F)c(F)c3)C2=O)cc1 36748327 QJNTZZCFQRDXSF-VMHWHBCQSA-N 359.332 2.775 30 40 FFEB CC[C@@H](C)n1c(C#N)cc(N)c1N1CCN(c2ccc3c(c2)OCO3)CC1 225871293 UUCGGBMCXUPPJM-CQSZACIVSA-N 367.453 2.968 30 40 FFEB C=CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 225421529 JHVWZSPMCHYBIL-UHFFFAOYSA-N 360.435 2.754 30 40 FFEB C=CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1ccc3c(c1)OCO3)C2 96039676 VWKRNTXDXNMMSX-ICSRJNTNSA-N 359.422 2.629 30 40 FFEB N#C[C@]1(C(=O)O)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 242701736 WNNAVPSUXGLJFG-UXLLHSPISA-N 361.806 2.874 30 40 FFEB Cc1cc(C)cc(OCC(=O)N2CCN(c3snc(C)c3C#N)CC2)c1 588003178 MKANSYWAKCGCFB-UHFFFAOYSA-N 370.478 2.668 30 40 FFEB COc1cccc(N2C(=O)C[C@H](S/C(N)=N/c3ccccc3)C2=O)c1 2490032 CSAMBJRMQUYYSQ-HNNXBMFYSA-N 355.419 2.707 30 40 FFEB Cc1ccc([C@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)o1 5595843 FBWAFTDDFQGCKV-HVESIFNPSA-N 372.396 2.710 30 40 FFEB COc1ccc(/N=C2\S[C@@H](C(N)=O)CC(=O)N2Cc2ccccc2)cc1 872361 SHEQBWWVSOYZFN-BSBNDGSWSA-N 369.446 2.702 30 40 FFEB C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)Nc1sccc1C#N 12563904 YGRLLECLMLZSHJ-VHSXEESVSA-N 356.407 2.778 30 40 FFEB Cc1ccc2nc(SCC(=O)NC3(C#N)CCCCC3)n(C)c(=O)c2c1 48344536 CPCHZHOHWNMHOB-UHFFFAOYSA-N 370.478 2.677 30 40 FFEB CCCCOc1ccc(/C(C)=N\N=C2/NC(=O)[C@H](CC(=O)O)S2)cc1 4813998 MLWIGHKKTHQPLV-KVMVOAJRSA-N 363.439 2.652 30 40 FFEB C=CCNC(=O)[C@@H](C)Sc1nnc2cc(C)c3ccc(OC)cc3n12 16865518 SZPUWUQJMZGPCM-GFCCVEGCSA-N 356.451 2.982 30 40 FFEB CCCc1cc(=O)[nH]c(N/N=C/c2cc(Br)ccc2O)n1 8568317 AYCUUJYWKKWNHE-LZYBPNLTSA-N 351.204 2.637 30 40 FFEB CCOc1ccccc1/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 408743063 ZCJIIMIRDWVWPW-MQMKENTISA-N 367.430 2.852 30 40 FFEB COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCC(=O)O 409077990 HANPCQSZZZGPDW-ZROIWOOFSA-N 353.330 2.503 30 40 FFEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)c(F)c1 32635404 JUXDGROOCZMEKO-QJGXAYKQSA-N 370.471 2.536 30 40 FFEB C=CC(=O)Nc1ccc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 1567193939 GDERIGPLDMDUGI-LJQANCHMSA-N 361.401 2.896 30 40 FFEB C=CCOC[C@H]1c2nnn(CC3CC3)c2CCN1Cc1cccc(OC)c1 2055747572 IYQIDAMVWIACSJ-FQEVSTJZSA-N 368.481 2.999 30 40 FFEB O=C(O)CN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@@H]1c1ccccc1 18058583 RYRBOMNGXSPTHZ-CVTTXWKISA-N 363.369 2.749 30 40 FFEB C#CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])cc2)sc2cc(OC)ccc21 100875876 AOUJHFTXJDVYQF-HNENSFHCSA-N 367.386 2.994 30 40 FFEB CN(C)C(=O)COc1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc1 7712883 DESDXCQDXJSVIW-LFYBBSHMSA-N 353.374 2.748 30 40 FFEB CCNC(=S)N/N=C/c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C 107716488 WIIIXMBCMRGJTD-RGVLZGJSSA-N 358.467 2.699 30 40 FFEB C=CC[C@H]1N(c2ccc(Cl)cc2)C(=O)[C@@H]2[C@@H](C(=O)OC)[C@H]3C=C[C@]21O3 1164757 RQCWAQWAWPQZFH-MZZPOWALSA-N 359.809 2.744 30 40 FFEB biogenic Cc1nc(-c2ccsc2)sc1C(=O)NCCCc1n[nH]c(N)c1C#N 12559908 GCSUGCFLCIPDOA-UHFFFAOYSA-N 372.479 2.720 30 40 FFEB O=[N+]([O-])c1cccc([C@H](O)/C(=N\O)c2nc3ccc(Cl)cc3nc2O)c1 104293617 SVSIEPUBEGWJQC-HYTQYMIGSA-N 374.740 2.809 30 40 FFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccn(CCc2ccncc2)n1 58217659 RPXAXGUKTYWFRL-OAHLLOKOSA-N 361.405 2.798 30 40 FFEB C=CCN(Cc1ccccc1F)C(=O)Cc1nn(C)c(=O)c2ccccc12 58208640 UOJDCVIGCWUVPQ-UHFFFAOYSA-N 365.408 2.830 30 40 FFEB C[C@](C#N)(NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O)C1CC1 6087307 XDCRBBYFLHKJEX-MRXNPFEDSA-N 365.220 2.512 30 40 FFEB C=CCNC(=O)[C@@H](C)Sc1nc2cc3ccccc3cc2c(=O)n1C 8176369 ISXXTQUJBBYUPR-GFCCVEGCSA-N 353.447 2.870 30 40 FFEB C#CCOc1ccc(/C=C2/SC(=O)N(CCOC)C2=O)cc1OCC 409139630 BRTPKMNDJNHQMI-FOWTUZBSSA-N 361.419 2.780 30 40 FFEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1C=Nc1cccc(Cl)c1 408537320 VGFKQLUSEFYGII-UOVKNHIHSA-N 359.813 2.926 30 40 FFEB Cc1ccccc1OC[C@@H](O)CN1CCN(c2ccc(C#N)cc2F)CC1 507164518 JWQWXSRTCJGQEG-SFHVURJKSA-N 369.440 2.568 30 40 FFEB C=CCN1CC[C@]2(CN(Cc3ccccn3)C[C@H]2c2nccs2)C1=O 306141273 VQJLCIKYEMYRRD-QFBILLFUSA-N 354.479 2.542 30 40 FFEB Cc1nn(CCc2cc(Cl)c3c(c2)OCCCO3)c(=O)c(C#N)c1C 611411157 QQIYBVJLPDBPCK-UHFFFAOYSA-N 359.813 2.789 30 40 FFEB COc1cccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(OC)cc2OC)c1 5408856 JGRNGXSCNRRJQZ-QGZVFWFLSA-N 369.373 2.578 30 40 FFEB CCCCOC(=O)C(=O)/C(=C/NC(=S)c1cccnc1)C(=O)C=C(C)C 1637586 RPRLHEMDKRUVBX-NTCAYCPXSA-N 374.462 2.678 30 40 FFEB N#CC1(NC(=O)COC(=O)CCC(=O)c2ccc(Cl)s2)CCCC1 5302157 INRVHRJGASUVJU-UHFFFAOYSA-N 368.842 2.860 30 40 FFEB COc1cc(OC)c([C@@H]2Nc3nonc3NC3=C2C(=O)CCC3)cc1OC 12389745 AABUAJFNDCALFA-INIZCTEOSA-N 372.381 2.681 30 40 FFEB CN(CCOc1ccc(/C=C2/NC(=O)SC2=O)cc1)c1ccccn1 100028451 SBGOQFQSRUQILD-NTCAYCPXSA-N 355.419 2.921 30 40 FFEB COc1ccccc1N(C)C(=O)C1CCN(c2ccc(C#N)cn2)CC1 48324655 WUURKRPDXYEXMY-UHFFFAOYSA-N 350.422 2.841 30 40 FFEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccs1 20265633 XTSCXTSFECSFGQ-CQSZACIVSA-N 362.476 2.950 30 40 FFEB COc1ccc(CC(=O)O[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1OC 6424376 GGQKBUZCYKHCCD-CYBMUJFWSA-N 368.389 2.688 30 40 FFEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c(Br)cc1O 4739605 PSIZRUSWDZVOAZ-OMCISZLKSA-N 367.159 2.913 30 40 FFEB COc1ccccc1N=C[C@@H]1C(=O)NC(=O)N(c2ccccc2C)C1=O 408536901 TWWGSURZMNXFIO-CYBMUJFWSA-N 351.362 2.605 30 40 FFEB COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1[N+](=O)[O-] 409147611 YDGMCDUQSWURQX-OVCLIPMQSA-N 361.270 2.866 30 40 FFEB N#Cc1ccc(N2C[C@@]3(CCN(C(=O)c4ccsc4)C3)CC2=O)cc1 96238849 PJJGIHXZSAGEPD-IBGZPJMESA-N 351.431 2.889 30 40 FFEB C#CC(C)(C)OC(=O)[C@@H]1CC(C)=CC[C@H]1C(=O)n1nnc2ccccc21 1065853 QQAHOTGQLOWOKM-HUUCEWRRSA-N 351.406 2.999 30 40 FFEB COC(=O)[C@]1(C)CCC[C@]2(C)C3=CC(=O)[C@]4(C(C)C)O[C@H]4[C@]3(O)CC[C@H]21 104203018 ABKTWBMMVOBXFC-NMHFFVGCSA-N 362.466 2.800 30 40 FFEB Cc1csc([C@](O)(CC(=O)NCc2ccc(C#N)cc2)C(F)(F)F)n1 58297307 HSALTWBZBIMQLG-OAHLLOKOSA-N 369.368 2.780 30 40 FFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)COCC(F)(F)F 58377507 XXQZHEOUFLKTSY-SNVBAGLBSA-N 355.316 2.948 30 40 FFEB COC(=O)c1sccc1S(=O)(=O)/N=C(\O)COC1CCCCC1 48513589 BSYBZWTVXCOKHK-UHFFFAOYSA-N 361.441 2.529 30 40 FFEB N#Cc1ccc(OCC(=O)N[C@H](CC(=O)O)c2ccccc2Cl)cc1 13172922 CKHKEZWJCCOQGP-MRXNPFEDSA-N 358.781 2.923 30 40 FFEB C(=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)\c1cccnc1 3898547 BNEUAYTXMADJOD-RCCKNPSSSA-N 366.473 2.693 30 40 FFEB C=CCNS(=O)(=O)c1ccc(C(=O)NCCCCc2ccccc2)cc1 14199517 FBFUZFZPJSYDIJ-UHFFFAOYSA-N 372.490 2.904 30 40 FFEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl 5490043 UACXWRDSGNZMLX-OJVXUPTESA-N 372.899 2.742 30 40 FFEB C/N=C1\S/C(=C\c2ccc(O)c(I)c2)C(=O)N1C 4674578 FXDPFHBXSRNQCZ-FWNMTXRZSA-N 374.203 2.529 30 40 FFEB C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1cccnc1 5895801 MXPZAGKXFJTZMP-MHWRWJLKSA-N 354.229 2.547 30 40 FFEB CCOC(=O)c1oc2ccccc2c1Cn1nc(C)c(C)c(C#N)c1=O 8251569 LCCAKICKYOHFRC-UHFFFAOYSA-N 351.362 2.703 30 40 FFEB Cc1c(C#N)c(NC(=O)CSc2nccn2C)n(C[C@@H]2CCCO2)c1C 8458706 CUSHUTZBNXSMOO-AWEZNQCLSA-N 373.482 2.620 30 40 FFEB COc1ccc(OC)c(/C=N/OCC(=O)NCCSc2ccccc2)c1 21585623 MSTTTZSTZIEYLG-FYJGNVAPSA-N 374.462 2.963 30 40 FFEB N#CCCCOC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 25392318 YDTHVSCKEJSWIM-UHFFFAOYSA-N 362.385 2.986 30 40 FFEB C#Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)c1 40060286 IQBOQJZBNGUTHJ-OAHLLOKOSA-N 364.401 2.677 30 40 FFEB COc1cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc(OC)c1OC 5335708 HGPUELSZXZBARO-GQCTYLIASA-N 369.373 2.939 30 40 FFEB C=CCN1CC[C@]2(CN(C(=O)c3cnc(Cl)cc3Cl)C[C@H]2C)C1=O 1614936036 UIXRFSIAHDGYQG-PIGZYNQJSA-N 368.264 2.885 30 40 FFEB N#CC1(C(=O)N2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)CCCC1 2055835114 ZNQPUESIJLRSLV-GHTZIAJQSA-N 369.465 2.832 30 40 FFEB C=CCn1c(SCC(=O)NC2CCCCC2)nc2ncccc2c1=O 31615057 CMLHDKLZDXBLNN-UHFFFAOYSA-N 358.467 2.519 30 40 FFEB N#CCC[C@@H](C#N)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 32900889 JQCNBGJXHBEPFE-HNNXBMFYSA-N 353.422 2.796 30 40 FFEB Cc1cc(C(=O)NCCNc2cccc(F)c2C#N)c2c(C)noc2n1 53469035 BQVDOKYQRFGYGB-UHFFFAOYSA-N 353.357 2.692 30 40 FFEB C[C@@H]1Sc2ccc(C(=O)[C@H](C#N)C(=O)NC3CCCCC3)cc2NC1=O 103503914 IJCRTPFSXRGPBV-FZMZJTMJSA-N 371.462 2.891 30 40 FFEB C=CCNC(=S)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 6706739 YTLXLQWQQGLSNT-UHFFFAOYSA-N 366.468 2.565 30 40 FFEB CCCCCCCCCn1c(NN=C(C)C)nc2c1c(=O)[nH]c(=O)n2C 101461090 WPZAIAYKZKBLGD-UHFFFAOYSA-N 362.478 2.982 30 40 FFEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccnc1)c1cccs1 1413268 SEAZCJBPBKSKAM-XJKSGUPXSA-N 370.430 2.900 30 40 FFEB COc1ccc(C(=O)Nc2cc(C)nn2CCC#N)cc1OC(F)F 58190936 SQZHXCDSXYZSOP-UHFFFAOYSA-N 350.325 2.968 30 40 FFEB C=CCNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 5542286 MZBPZQRYOCUNOE-UHFFFAOYSA-N 358.463 2.801 30 40 FFEB C=CCN(c1ncc(C(=O)OC)s1)S(=O)(=O)c1ccc(CC)cc1 83825236 OSLMYRMNDQRSDR-UHFFFAOYSA-N 366.464 2.873 30 40 FFEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(Cl)c1 409146843 LMIMHLANXJGKCR-AWEZNQCLSA-N 363.797 2.813 30 40 FFEB COc1ccc(/C=C2\C(=O)ON=C2c2cccc([N+](=O)[O-])c2)c(OC)c1 408717984 PBJIKMHZVRSIHF-DHDCSXOGSA-N 354.318 2.957 30 40 FFEB COC1(c2nc(CC(F)(F)F)no2)CCN([C@H]2CC[C@H](C#N)C2)CC1 328831020 KTXCIWZVCFXNIO-RYUDHWBXSA-N 358.364 2.804 30 40 FFEB C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2cccc3[nH]ccc23)CC1 528026661 QFIGUCJWAOZMEQ-KXBFYZLASA-N 354.454 2.591 30 40 FFEB N#Cc1cccc(C(=O)N2CC3(C[C@@H](Oc4cccnc4)CS3)C2)c1 575402365 BODQOHBDWJONQA-QGZVFWFLSA-N 351.431 2.732 30 40 FFEB Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/Nc2nnc(C)n2N)o1 4536728 LCZVJDWQEWCSLP-QGMBQPNBSA-N 355.358 2.531 30 40 FFEB CNC(=O)C1(Nc2cccc(F)c2)CCN(Cc2ccccc2C#N)CC1 2055772448 JKCUSRUDBRISHG-UHFFFAOYSA-N 366.440 2.890 30 40 FFEB CC(=O)N[C@@H]1C(=O)N2C(=C(C(C)=O)[C@H]1c1ccccc1)Nc1ccccc12 9644768 NQDZTIURUQKLDQ-MOPGFXCFSA-N 361.401 2.548 30 40 FFEB C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(F)c1 6294994 BMMVSPSOCOMPRR-YVEFUNNKSA-N 355.365 2.785 30 40 FFEB N#Cc1ccc(Cl)cc1NC(=O)CN1CCN(c2ccc(O)cc2)CC1 57363928 HLVPTRNFYSBHOF-UHFFFAOYSA-N 370.840 2.678 30 40 FFEB Cc1ccc(C)c(OC(=O)CN(C)S(=O)(=O)c2ccccc2C#N)c1C 29508701 XMDSQRCWKYCZTM-UHFFFAOYSA-N 372.446 2.710 30 40 FFEB CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccco2)c1 13119691 XBHNUICOKRTLIU-QGZVFWFLSA-N 371.389 2.903 30 40 FFEB N#CC1(C(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)CCCC1 96005177 QXKPLCGMLQMIRE-MRXNPFEDSA-N 361.467 2.503 30 40 FFEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 5516325 KPEQTZRZUOPQFM-OVJMFRMASA-N 372.899 2.742 30 40 FFEB O=c1[nH]c2cc3c(cc2cc1/C=N/Nc1nc2ccccc2[nH]1)OCCO3 8744140 UVFKCFVMEOBOCR-KEBDBYFISA-N 361.361 2.622 30 40 FFEB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OC 409405592 HZPLZCKNXZGMAF-ATVHPVEESA-N 364.401 2.894 30 40 FFEB N#Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ccc2c(c1)OCCO2 5019181 CDGRRVNENIBAFN-UHFFFAOYSA-N 371.374 2.968 30 40 FFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(F)cc1F 8981986 HWFWGCDLXHLVLQ-GFCCVEGCSA-N 359.376 2.952 30 40 FFEB COc1cc(CC/N=C\c2cccc(OC)c2O)c([N+](=O)[O-])cc1OC 104220272 MOLXFRSFKCWDRP-ODLFYWEKSA-N 360.366 2.988 30 40 FFEB Cc1cc(OCC(=O)Nc2cccc(C#N)c2)nc(N2CCC(C)CC2)n1 44169943 SGDYTWPNUQTQME-UHFFFAOYSA-N 365.437 2.911 30 40 FFEB C[C@]1(c2cc(F)ccc2F)NC(=O)N(Cc2ccc(C#N)cc2F)C1=O 11538365 DMEKZECWNPVALM-GOSISDBHSA-N 359.307 2.943 30 40 FFEB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(C#N)cc2)n1 3474425 RFDMXVRWYADTMM-UHFFFAOYSA-N 360.377 2.735 30 40 FFEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)[C@@H]2Oc3ccccc3[C@H]2C)s1 83150504 KBCWSCLVGMJIFD-AMIZOPFISA-N 352.437 2.970 30 40 FFEB CC(C)[C@@H]1Cc2c(c(N3CCOCC3)nc3sc(C#N)c(N)c23)CO1 5323117 GNJFLONYLCKFPP-ZDUSSCGKSA-N 358.467 2.684 30 40 FFEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(N)nc(=O)c32)cc1 16975213 FTDLQJXJDYEQCM-CQSZACIVSA-N 366.421 2.561 30 40 FFEB COc1cc(OC)c(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1Cl 408589927 NMLZHXDVKLQSQV-OVJVLNCUSA-N 374.824 2.888 30 40 FFEB O=C1[C@H]2[C@H](C(=O)N1/N=C/c1ccc(Br)o1)[C@H]1C=C[C@H]2C12CC2 408718701 YODMTINETAXOQQ-YRDMHKETSA-N 361.195 2.573 30 40 FFEB N#Cc1ccc(NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)cc1 42566796 UHHXZKQCHAJVOF-UHFFFAOYSA-N 350.353 2.814 30 40 FFEB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3)cc2)cc1 35264454 KAPIEELXYBXPRK-UHFFFAOYSA-N 357.435 2.718 30 40 FFEB Cc1ccc(/C(N)=N/OC(=O)c2cnc3c(c(C)nn3C)c2Cl)cc1 4286742 CHILMKLUAKMMJM-UHFFFAOYSA-N 357.801 2.716 30 40 FFEB C[C@H]1CN(C(=O)c2ccc(CNc3ncccc3C#N)cc2)C[C@H](C)O1 58178048 BKDKJHICKXRODU-GJZGRUSLSA-N 350.422 2.815 30 40 FFEB C#CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 408940275 USTZBVCUVCBFEO-NTCAYCPXSA-N 364.332 2.504 30 40 FFEB Cc1nc(CN2CCN(/C(O)=N/[C@H]3CCCC(F)(F)C3)CC2)oc1C 330239010 VLTOHGIIIHQPEO-AWEZNQCLSA-N 356.417 2.901 30 40 FFEB C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3[C@](C)(CO)C=CC(=O)[C@@]3(C)[C@H]1C2 514288140 QRLARCRZOSOGMO-VVDISMOBSA-N 360.450 2.925 30 40 FFEB biogenic,in-vitro O=C1CS/C(=N/S(=O)(=O)c2ccc(F)cc2)N1C1CCCCC1 100895833 XWVPSHCYMRVGQM-BMRADRMJSA-N 356.444 2.779 30 40 FFEB C=CCn1c(C)cc(C(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1C 40162354 RKVKFHLGQYVOTN-UHFFFAOYSA-N 365.477 2.932 30 40 FFEB C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)NC1(C#N)CCCCC1 6384130 ALCAFIQYZUNVNV-CQSZACIVSA-N 353.422 2.985 30 40 FFEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(c2cccc(Cl)c2)CC1 9469541 DKXPNVGCKAHLRS-KXBFYZLASA-N 362.905 2.905 30 40 FFEB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1c1ccc(C#N)nn1 95999476 WRIJIRKJCSJWIS-LJQANCHMSA-N 374.448 2.788 30 40 FFEB CC1=NN(c2ccccc2S(=O)(=O)O)/C(=N/c2ccccc2C(=O)O)C1 255189065 NLMZVUUBGOUSIX-FBMGVBCBSA-N 373.390 2.948 30 40 FFEB COc1cccc([C@H]2NC(=O)C(O)=C2C(=O)c2ccc(OC)c(OC)c2)c1 18045877 FQHBQBKIBMTDPD-QGZVFWFLSA-N 369.373 2.578 30 40 FFEB O=[N+]([O-])c1cc(Cl)cc(/C=N/NC(=S)NCc2ccccc2)c1O 6475133 CVCIOBZCALSBDS-GIJQJNRQSA-N 364.814 2.952 30 40 FFEB C/C(=N\CCO)c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O 104077759 BPYDVXVKPVFWKE-UFWORHAWSA-N 370.356 2.595 30 40 FFEB C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc3c2CCCC3)c1 24841601 KLJWYGBZMYXQSH-UHFFFAOYSA-N 368.458 2.729 30 40 FFEB N#Cc1cccc(S(=O)(=O)NCCc2ccc(Br)s2)c1 14210491 XXYITWXIQLRPGO-UHFFFAOYSA-N 371.281 2.903 30 40 FFEB N#Cc1cn(CC(=O)NC[C@H]2CCCO2)c2ccc(Br)cc12 6398876 VZNBZPFYUWTESW-CYBMUJFWSA-N 362.227 2.571 30 40 FFEB CCOc1ccccc1-n1c(=O)c(C#N)cc2c(=O)n3cc(C)ccc3nc21 6809434 POJVDTADMKPNMG-UHFFFAOYSA-N 372.384 2.577 30 40 FFEB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCC#N)C1=O 409011478 NLKXWRSNWLXBSC-IWQAVIMZSA-N 360.391 2.577 30 40 FFEB COc1cc(C#N)ccc1OCC(=O)NC(=O)Nc1ccc(C)c(C)c1 8755898 ZQOZJSPNEFFLOH-UHFFFAOYSA-N 353.378 2.911 30 40 FFEB C=CCNS(=O)(=O)c1ccc(OCC)c(NC(=O)c2ccccc2)c1 408558983 UVGDDCOKRYLRJK-UHFFFAOYSA-N 360.435 2.802 30 40 FFEB COc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2ccc(Cl)cc2)C1=O 408536845 STHXVPPQNCBDPZ-ZDUSSCGKSA-N 371.780 2.950 30 40 FFEB C=CCN1CCCN(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)CC1 72252455 SFBUYTAJLCEIEI-UHFFFAOYSA-N 352.482 2.882 30 40 FFEB Nc1nc(O)c2nc(C/C(=N/c3ccccc3)c3ccccc3)c(O)nc2n1 1775970452 BSSSPOPDKQKVSO-HMAPJEAMSA-N 372.388 2.777 30 40 FFEB CC1=NN(C(=O)c2cccnc2)[C@](O)(C(F)(F)C(F)(F)C(F)(F)F)C1 5296619 XMWNTXNDTXNADR-SNVBAGLBSA-N 373.228 2.825 30 40 FFEB Cc1ccc(S(=O)(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 7147470 FSEJULZKYXOSRE-UHFFFAOYSA-N 359.426 2.517 30 40 FFEB Cc1c(C#N)c(NC(=O)CN2CCC(O)CC2)n(-c2ccc(F)cc2)c1C 12546146 JPRIMXMSEUDJPJ-UHFFFAOYSA-N 370.428 2.500 30 40 FFEB N#CCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 8126475 UPKRHJOKWZTRCX-UHFFFAOYSA-N 369.446 2.789 30 40 FFEB Cc1nc(NCCNC(=O)c2ccccc2)c(C#N)c2c1COC(C)(C)C2 13511951 KKZCPDOGXQQFLL-UHFFFAOYSA-N 364.449 2.955 30 40 FFEB C[C@H]1CCC[C@](C#N)(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)C1 96013466 UOTHHFFJLPENPT-YJBOKZPZSA-N 358.467 2.682 30 40 FFEB C=C(C)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 9304574 HDTVNMLAKMRKNO-ZIAGYGMSSA-N 356.900 2.991 30 40 FFEB N#Cc1ccnc(SCC(=O)Nc2ccc(CN3CCOCC3)cc2)c1 71918456 CLWVXMUQGVUTGY-UHFFFAOYSA-N 368.462 2.516 30 40 FFEB Cc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2cccc([N+](=O)[O-])c2)C1=O 408537845 XQBFXKNOHPAZLX-AWEZNQCLSA-N 366.333 2.505 30 40 FFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc4c(c3)OCO4)C2(C#N)C#N)cc1 218163924 ARCRRCFZVYYDQH-ZWKOTPCHSA-N 366.398 2.697 30 40 FFEB N#C[C@]1(CO)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218502208 PAXUACGNGUBZNW-IKGGRYGDSA-N 365.813 2.921 30 40 FFEB CCNC(=S)N/N=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1 33797584 UACRTAAZBJTIRF-YBFXNURJSA-N 358.423 2.992 30 40 FFEB Cn1cc(/C=C2/CN(Cc3ccccc3)C/C(=C/c3cnn(C)c3)C2=O)cn1 96939538 IJHGYYQXBCCURB-OJRZISNZSA-N 373.460 2.706 30 40 FFEB CN1C(=O)/C(=N\OC(=O)c2ccccc2Br)c2ccccc21 1211776 NNYFUJSONPCTFT-JXAWBTAJSA-N 359.179 2.987 30 40 FFEB N#CCC[C@H](C#N)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 32900890 JQCNBGJXHBEPFE-OAHLLOKOSA-N 353.422 2.796 30 40 FFEB C#CCOc1ccc([C@@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)cc1OC 6678825 JHTIURZMAFDTSM-BZNIZROVSA-N 357.435 2.902 30 40 FFEB N#Cc1ccc(Oc2ccc(NC(=O)CN3CSCC3=O)cc2)cc1 58246729 WMNOYMTYOGWRDM-UHFFFAOYSA-N 353.403 2.822 30 40 FFEB CC(=O)/C(=N\OCC(=O)N1CCCCCC1)C(=O)Nc1ccc(C)cc1C 3362847 RARWUWFIQYIMTO-ZBJSNUHESA-N 373.453 2.606 30 40 FFEB C=CCc1cc(C(=O)N2CCN(c3nccs3)CC2)cc(OC)c1OC 11187937 IVAZSBUBUGCHGI-UHFFFAOYSA-N 373.478 2.851 30 40 FFEB CCOC(=O)c1sc(NC(=O)COc2ccccc2C#N)c(C#N)c1C 3573562 AWFBTZBBHVAJKB-UHFFFAOYSA-N 369.402 2.994 30 40 FFEB C=CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)N2CCCC2)C1=O 408535091 UOSHUSAMTZIGJD-VBKFSLOCSA-N 372.446 2.910 30 40 FFEB N#Cc1cccc(N2C[C@]3(CCN(C(=O)c4ccsc4)C3)CC2=O)c1 96238898 BCNWJPLHZZLMDD-LJQANCHMSA-N 351.431 2.889 30 40 FFEB CC1(C)OB(c2ccc(OCC(=O)NC3CCCCC3)cc2)OC1(C)C 1772769309 SUILQNPARRUJEH-UHFFFAOYSA-N 359.275 2.814 30 40 FFEB N#Cc1ccc(CN2C[C@H](OCc3nc4cccnc4[nH]3)[C@H](F)C2)cc1 1772595164 XLQAJFRGNRDONH-WBVHZDCISA-N 351.385 2.569 30 40 FFEB N#Cc1cc2c(nc1NCc1nnc3n1C[C@H](C(F)(F)F)CC3)CCC2 372132198 PGRIMTPEUIZSFW-GFCCVEGCSA-N 362.359 2.770 30 40 FFEB Cc1ccc(S(=O)(=O)/N=C(\c2ccccc2)N2CCOCC2)c(C)c1 18054458 WONDZTYMSLFYEG-FMQUCBEESA-N 358.463 2.771 30 40 FFEB Cc1cc(=O)n(CC(=O)Nc2cccc(C#N)c2)c(-c2ccc(F)cc2)n1 57477846 PUZZAKONHXNREE-UHFFFAOYSA-N 362.364 2.868 30 40 FFEB CCOc1ccc(S(=O)(=O)N/N=C(/C)c2ccc3c(c2)OCO3)cc1 6351367 RSMRKTZRINMNOL-PDGQHHTCSA-N 362.407 2.517 30 40 FFEB N#Cc1c(CCCNC(=O)C2c3ccccc3Oc3ccccc32)n[nH]c1N 7725352 HVLKNQYPLONZBL-UHFFFAOYSA-N 373.416 2.850 30 40 FFEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)cc1O 409291091 OOMLQANGWXEPPY-UHFFFAOYSA-N 374.194 2.761 30 40 FFEB COc1ccccc1N=C[C@H]1C(=O)NC(=O)N(c2cccc(C)c2)C1=O 408538005 YJDBZZWKNWTVQA-AWEZNQCLSA-N 351.362 2.605 30 40 FFEB COc1ccc2oc(C(=O)OCC(=O)NC3(C#N)CCCC3)c(C)c2c1 7737223 HTCSYGOXOAVFNM-UHFFFAOYSA-N 356.378 2.859 30 40 FFEB COc1ccc(CN2CC[C@@]3(C[C@H](Nc4cccc(C#N)n4)CO3)C2)cc1 96047677 HQHRUAGYZLHBFA-GHTZIAJQSA-N 364.449 2.807 30 40 FFEB C[C@H]1CN(C2CCOCC2)CCN1/C(O)=N/[C@@H](c1cccnc1)C1CC1 330259513 NKHYYWHMRGTASE-HNAYVOBHSA-N 358.486 2.632 30 40 FFEB C=CCOc1ccc(C(=O)Nc2ccccc2CC(=O)NC)cc1OC 57280722 BOURMZJJWCQEFW-UHFFFAOYSA-N 354.406 2.801 30 40 FFEB COc1ccccc1/C=N/c1ccccc1Oc1cc(=O)n(C)c(=O)n1C 1252725 DLQANQBULVQNBE-FYJGNVAPSA-N 365.389 2.636 30 40 FFEB CCOC(=O)Cc1csc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)n1 11168246 RILIHLNSMQLMQK-LLVKDONJSA-N 359.407 2.526 30 40 FFEB C=CCN/C(S)=N/N=C\c1cc(Br)c(O)c(OCC)c1 12374176 KMRWZAREMKOCCO-PXNMLYILSA-N 358.261 2.949 30 40 FFEB Cc1cccc(OCc2nc(C#N)c(NCCCN3CCOCC3)o2)c1 19911295 KAWKLPXKMNEORB-UHFFFAOYSA-N 356.426 2.568 30 40 FFEB C=CCc1ccc(OC[C@H](O)Cn2c(=O)cnc3ccccc32)c(OC)c1 31560644 GUDMLAAMANDEIU-MRXNPFEDSA-N 366.417 2.574 30 40 FFEB C[C@H](OC(=O)CNc1ccc(C#N)cc1)C(=O)N1CCc2sccc2C1 52349364 UDEWLLVXUZHNJX-ZDUSSCGKSA-N 369.446 2.548 30 40 FFEB COC(CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1)OC 6294761 QPEVRSCPZCNNSD-GOSISDBHSA-N 367.401 2.884 30 40 FFEB CCOc1cc(/C=N/NC(N)=S)ccc1OC(=O)c1ccc(F)cc1 6537615 GVKBYYHOLLOUDV-KEBDBYFISA-N 361.398 2.611 30 40 FFEB C=CCNc1nnc(S[C@H](C(=O)NCc2cccnc2)C(C)C)s1 58197187 DEXXXRJUOQDSOJ-ZDUSSCGKSA-N 363.512 2.964 30 40 FFEB O=C1c2ccccc2C(=O)N1CC/C(O)=N/c1nc(-c2ccccc2)n[nH]1 12794798 DTYMATYLQVPYRD-UHFFFAOYSA-N 361.361 2.746 30 40 FFEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)[C@H]2Oc3ccccc3[C@@H]2C)s1 83150505 KBCWSCLVGMJIFD-SDBXPKJASA-N 352.437 2.970 30 40 FFEB O=C(C[C@@H]1S/C(=N/c2ccccc2)NC1=O)Nc1ccccc1[N+](=O)[O-] 4588100 LRTBGWMGONGBBV-AWEZNQCLSA-N 370.390 2.843 30 40 FFEB COc1ccc(N/N=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc1 4578391 NPAOSIAYQQOVSC-MNDPQUGUSA-N 353.338 2.794 30 40 FFEB N#Cc1cccc(NC(=O)COc2ccc(Br)cc2CO)c1 5468273 ZQCAHGYQDUMDGU-UHFFFAOYSA-N 361.195 2.831 30 40 FFEB C/C(=N\NC(=S)NCCc1cccs1)c1ccc2c(c1)CC(=O)N2 98054893 SVMSKSBGVHSTJJ-RGVLZGJSSA-N 358.492 2.674 30 40 FFEB CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(N(C)C)cc2)C1=O 409078859 IMXKTWICUHXGPW-KAMYIIQDSA-N 374.462 2.710 30 40 FFEB COC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 218093241 LHANWPREMRHUET-FHWLQOOXSA-N 357.431 2.791 30 40 FFEB CCS(=O)(=O)c1ccc(N2CCC(/N=C(/O)[C@H]3CCCO3)CC2)cc1 328781351 MUGHIZIROYDFNZ-QGZVFWFLSA-N 366.483 2.585 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(C)cc2)cc1OC 5409100 IXCPCWAAFZMDSV-QGZVFWFLSA-N 353.374 2.878 30 40 FFEB COC(=O)c1cc(NC(=O)c2ccc(C#N)cc2F)cc(C(=O)OC)c1 14258282 WBZLRFRUBVURGJ-UHFFFAOYSA-N 356.309 2.523 30 40 FFEB CSc1nc(C(F)F)cc(N2CCN(c3ccc(C#N)nc3)CC2)n1 848697280 JGUOZLJYQNIYCZ-UHFFFAOYSA-N 362.409 2.729 30 40 FFEB COC[C@H]1CCCN1C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@H]12 4084944 REILRXPTAKYZGI-KWVZFDLSSA-N 363.498 2.624 30 40 FFEB COc1ccc(/N=N/c2c(N)nn3c(SC)c(C#N)c(N)nc23)cc1 104824312 WBJJRZCWGRPEMA-QZQOTICOSA-N 354.399 2.911 30 40 FFEB COc1cc(/C=N/c2ccc(C(=O)O)c(O)c2)ccc1O[C@H](C)C(=O)O 9323799 BXVYVLQFVXWYLI-XTTRTJGBSA-N 359.334 2.702 30 40 FFEB C=CCn1c(SCC(=O)Nc2nc(C)no2)nnc1C1CCCCC1 58167183 SQEJIBLEVGFTEC-UHFFFAOYSA-N 362.459 2.934 30 40 FFEB COc1ccc(OC)c(/C=N/c2cnn(C)c2C(=O)NCc2ccco2)c1 2797815 JMXYNIIVQYHMGM-KEBDBYFISA-N 368.393 2.711 30 40 FFEB N#Cc1ccccc1CSCCNC(=O)CNC(=O)C1CCCCC1 14017320 GZSPGXPOPLGVEH-UHFFFAOYSA-N 359.495 2.604 30 40 FFEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccc(F)cc1 6787133 ATTYYIZKDGMAHB-HVESIFNPSA-N 372.396 2.792 30 40 FFEB N#Cc1cc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)ccc1Cl 538649581 IHQODAFDJGKGEL-UHFFFAOYSA-N 371.799 2.949 30 40 FFEB CC(C)CN1CCC[C@]2(CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)C1 96215298 HNMWBMPCANCSQQ-IBGZPJMESA-N 361.511 2.691 30 40 FFEB N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc(Cl)c(Cl)c1 588327613 PUHLEGXMYUZERU-UHFFFAOYSA-N 366.208 2.677 30 40 FFEB N#Cc1cccc(N2CCC[C@H](COc3ncc(Br)cn3)C2)n1 1775995737 GTAPBDMDTLJJPF-LBPRGKRZSA-N 374.242 2.801 30 40 FFEB O=S(=O)(Cc1ccccc1)/N=C(\O)c1cc(Cl)c2c(c1)OCO2 48595325 OPHWIOIMBOPXAJ-UHFFFAOYSA-N 353.783 2.903 30 40 FFEB CC1(C)CC(=O)C2=C(C1)OC(=O)[C@]2(NC(=O)c1cccs1)C(F)(F)F 2492570 RCXOAJGQNHFULH-HNNXBMFYSA-N 373.352 2.979 30 40 FFEB CCCCOc1ccc(/C(C)=N/N=C2\NC(=O)[C@H](CC(=O)O)S2)cc1 6778534 MLWIGHKKTHQPLV-YRIIZNAFSA-N 363.439 2.652 30 40 FFEB O=C1C(Br)=C(NCCc2ccccn2)C(=O)c2ccccc21 101415486 SZZJZXYTRJTTGV-UHFFFAOYSA-N 357.207 2.899 30 40 FFEB CC1=C(Br)C(=O)C(Br)=C(Br)C1=O 1728357 IYZIBLPUKMYISP-UHFFFAOYSA-N 358.811 2.809 30 40 FFEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2cccnc2)no1 102891319 UHWVLXWNFZSVPD-DPEHCCBOSA-N 351.318 2.597 30 40 FFEB COc1ccc(Br)c(NCC(=O)N[C@](C)(C#N)C(C)C)c1 58323495 PMLWDWFMFLULKE-OAHLLOKOSA-N 354.248 2.924 30 40 FFEB C=CC[C@H]1N(c2ccc(Cl)cc2)C(=O)[C@@H]2[C@H](C(=O)OC)[C@@H]3C=C[C@]21O3 100617018 RQCWAQWAWPQZFH-IPXJXJKCSA-N 359.809 2.744 30 40 FFEB COC(=O)c1ccc(COc2ccc(/C=N/N3CCN(C)CC3)cc2)cc1 5162770 YTAAOBRRHZTZRG-PXLXIMEGSA-N 367.449 2.634 30 40 FFEB Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=N/n2cnnc2)cc1 4603155 PWFAKYQSCFMTMV-SRZZPIQSSA-N 367.365 2.835 30 40 FFEB Cc1cc(CN2CCN(Cc3ccc(C#N)cc3OC(F)F)CC2)no1 95409432 KIKYIYMAWJBANM-UHFFFAOYSA-N 362.380 2.774 30 40 FFEB O=C1/C(=N\O)c2cc([N+](=O)[O-])ccc2N1CCOc1ccccc1Cl 46084785 LCANNUMACONDCG-SDXDJHTJSA-N 361.741 2.852 30 40 FFEB C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)[C@H](O)C[C@H](O)[C@]3(C)[C@@H]1C2 36378850 IUVZTUKGYOYDHT-PFINDUHWSA-N 364.482 2.939 30 40 FFEB biogenic,in-vitro C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c1C 4515081 HMUQSLQXYBNUEB-RNODOKPDSA-N 357.454 2.974 30 40 FFEB C=CCn1c(C)nnc1S[C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 4936303 BHTCQBAANZGVQB-LLVKDONJSA-N 359.455 2.850 30 40 FFEB C=CCNC(=O)Cn1cc(OC)c(=O)cc1CSc1ccc(F)cc1 9816261 PNUYIFYZPQLZEZ-UHFFFAOYSA-N 362.426 2.591 30 40 FFEB O=C(O)CN1C(=O)C(=O)/C(=C(O)\C=C\c2ccccc2)[C@@H]1c1ccccc1 102533380 CKUCXKRHGMUPKP-GTVONPIASA-N 363.369 2.749 30 40 FFEB Cc1cc(C)n2nc(SCC(=O)N(CCC#N)c3ccccc3)nc2n1 3467236 INZUGKOQACLUEE-UHFFFAOYSA-N 366.450 2.780 30 40 FFEB N#Cc1cc([N+](=O)[O-])cn(CC(=O)Nc2ccccc2-c2ccccc2)c1=O 7534652 YLVPWYJDXNHYCZ-UHFFFAOYSA-N 374.356 2.934 30 40 FFEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1c(C)cccc1C 101309893 KRSNXWFYRSSFDA-NIQMNWOISA-N 366.508 2.705 30 40 FFEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)ccc1C 101312880 NKQUDKCPKGZFEQ-UICBKRPASA-N 366.508 2.705 30 40 FFEB N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)COc2ccccc2F)CC1 14157697 YTUJFAOQEVUXON-GOSISDBHSA-N 371.387 2.753 30 40 FFEB CN(CC(=O)Nc1ccc(F)c(F)c1F)c1ccc([N+](=O)[O-])cc1C#N 5689647 SIXXZEJFXCQILO-UHFFFAOYSA-N 364.283 2.959 30 40 FFEB CC(C)(C)OC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-] 675081820 NTLHISCGEXXCAY-UHFFFAOYSA-N 363.219 2.778 30 40 FFEB CSc1ccccc1/N=C/c1c(O)[nH]c(=O)n(-c2ccc(F)cc2)c1=O 101576263 SXSHBSIFNLASIP-KEBDBYFISA-N 371.393 2.843 30 40 FFEB C=CCNC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O 3138254 YNZFLHNMDZBMIZ-UHFFFAOYSA-N 353.290 2.630 30 40 FFEB Cc1cc(N2C[C@H](/C(O)=N/c3ncn[nH]3)CC2=O)ccc1Br 23140604 YOTZLXGOVFROGA-SECBINFHSA-N 364.203 2.517 30 40 FFEB Cc1cc(C)c(C#N)c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 1241881 FLCZVUDBLOJHPA-UHFFFAOYSA-N 350.422 2.621 30 40 FFEB COc1ccc(Br)cc1NCC(=O)N[C@@](C)(C#N)C1CC1 55896967 GIKLUXJFFKGSFT-HNNXBMFYSA-N 352.232 2.678 30 40 FFEB Cc1ccc(-n2nnnc2SCC(=O)Nc2cccc(C#N)c2)c(C)c1 3367993 YOAOSRZQOFDDAD-UHFFFAOYSA-N 364.434 2.882 30 40 FFEB C=CCc1ccccc1OC[C@@H](O)CN1CCN(c2ccccc2)CC1 20805958 JTFGCEVZUXFNIO-NRFANRHFSA-N 352.478 2.977 30 40 FFEB CCC(CC)=NN/C=C1\C(=O)N(CC)c2cc(C3=NNC(=O)CC3)ccc21 4350949 DPYGEGCNKMBSBI-VBKFSLOCSA-N 367.453 2.774 30 40 FFEB N#Cc1ccccc1NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 8246054 OCVROSYSDIMBGY-INIZCTEOSA-N 351.381 2.727 30 40 FFEB COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCCCCC(=O)O)cc1 18153625 FZTIZUDVNRORTQ-KRWDZBQOSA-N 361.394 2.625 30 40 FFEB biogenic O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 8740603 QYQSPCDCQWYYEN-INIZCTEOSA-N 373.792 2.616 30 40 FFEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)c(C)c1 32508255 VNAFUGIGPYXIDZ-UICBKRPASA-N 366.508 2.705 30 40 FFEB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 222372572 PYFMQUCYIDMEMK-JYFIOIOTSA-N 371.780 2.635 30 40 FFEB NC(=O)c1cncc(C#CC2(NC(=O)c3ccccc3F)CCCCC2)c1 12337523 UAGFSHNBXWKOER-UHFFFAOYSA-N 365.408 2.804 30 40 FFEB N#Cc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)oc1NC1CC1 12421082 RWCFXVGLOCMPDU-UHFFFAOYSA-N 372.450 2.962 30 40 FFEB N#Cc1ccccc1NC(=O)CCn1cnc2cc(Cl)ccc2c1=O 23184946 NAAJULYVVGEJBM-UHFFFAOYSA-N 352.781 2.950 30 40 FFEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1OCC)CC(=O)N2 4944315 NSXLABJFEHCJRY-GFCCVEGCSA-N 357.435 2.921 30 40 FFEB N#Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cs2)cc1 6680606 ADNOSECHZDLMEG-UHFFFAOYSA-N 361.448 2.657 30 40 FFEB CCC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc[n+](CC)c1 1277306 FKLZWWKQEBPASE-KRWDZBQOSA-O 355.458 2.900 30 40 FFEB C=CCN(Cc1ccc(OC)cc1)C(=O)Cn1cnc2ccccc2c1=O 55891021 VNRAKLLFIXTPLJ-UHFFFAOYSA-N 363.417 2.620 30 40 FFEB CNC(=S)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 106412058 ZWTOVCKOMMOVPJ-HKWRFOASSA-N 358.854 2.685 30 40 FFEB O=C1ON=C(c2ccccc2[N+](=O)[O-])/C1=C/c1cccc([N+](=O)[O-])c1O 101662430 MUURCXMIKXCPHO-FLIBITNWSA-N 355.262 2.553 30 40 FFEB C=CCNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 14184062 NTKCNYSFPMAKTQ-UHFFFAOYSA-N 351.244 2.604 30 40 FFEB COc1cccc(OC)c1C(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1 7184066 MXERDTAPKBTBIR-CYBMUJFWSA-N 360.410 2.592 30 40 FFEB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O 8727493 WPPGJDQMGXYDQB-FQEVSTJZSA-N 367.380 2.933 30 40 FFEB C#CCOc1c(Cl)cc(/C=N/n2cnnc2SC)cc1OCC 408818645 PYCFYQLFZKKWRD-GIJQJNRQSA-N 350.831 2.946 30 40 FFEB C=CCOc1ccc(CN(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 16083323 PYRSQJMSOAOAIS-UHFFFAOYSA-N 362.407 2.980 30 40 FFEB C(=N/Nc1nnc2c(n1)[nH]c1ccccc12)\c1ccc(N2CCOCC2)cc1 4892345 HMWRFHGAFXGFBV-FYJGNVAPSA-N 373.420 2.789 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 6187421 VUGQHOPBONGJIM-MRXNPFEDSA-N 368.345 2.812 30 40 FFEB C=CCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1 28206753 ZEOMOFDXSXCRHC-CQSZACIVSA-N 356.447 2.742 30 40 FFEB CN(C(=O)CN1CCN(Cc2cccs2)CC1)C1(C#N)CCCCC1 19540341 PCEBHSALVFGLRB-UHFFFAOYSA-N 360.527 2.551 30 40 FFEB CN(C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)C1(C#N)CCC1 65550018 YJEWLVJJZQWEIW-UHFFFAOYSA-N 358.419 2.772 30 40 FFEB Cc1cc(C)n(-c2cccc(NC(=O)CN(C)c3ccc(C#N)cn3)c2)n1 67794937 PRJZOEIBSLLPDY-UHFFFAOYSA-N 360.421 2.831 30 40 FFEB CSc1nc(-c2ccc(C)cc2)c(C#N)c(N2CCC(C(N)=O)CC2)n1 19820755 YJXIRNWXRHMZOR-UHFFFAOYSA-N 367.478 2.747 30 40 FFEB COc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c(C#N)c2N)cc1 18201101 QUZJUMYHLHQKEC-UHFFFAOYSA-N 353.403 2.855 30 40 FFEB CCOc1ccc(S(=O)(=O)N[C@](C)(C#N)CC)cc1Br 95439301 LNJMOXWKIGKMBC-ZDUSSCGKSA-N 361.261 2.818 30 40 FFEB N#Cc1cc(F)cc(C(=O)N2CCO[C@@]3(CCCC[C@@H]3N3CCCC3)C2)c1 306141865 WIQXGDOQVJCVFJ-FPOVZHCZSA-N 371.456 2.947 30 40 FFEB N#CCOc1c(Br)cc(C=O)cc1I 408855801 FJQSOSCINNAJJL-UHFFFAOYSA-N 365.952 2.769 30 40 FFEB N#CCSc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12 32985530 LQOKJWHTWVKDNP-UHFFFAOYSA-N 361.430 2.903 30 40 FFEB C=CCOc1cccc(/C=C2\C(=O)N(CCCOC)C(C)=C2C(=O)OC)c1 408894899 SCTUFOSBAYVCID-JXAWBTAJSA-N 371.433 2.961 30 40 FFEB COC(=O)c1cc(N/N=C2/C(=O)C=Cc3ccccc32)cc(C(=O)OC)c1 18062258 WJEUDCYUAMGTIZ-RELWKKBWSA-N 364.357 2.672 30 40 FFEB CSc1ncc(C#N)c(N2CCC[C@H](COc3cc(C#N)ccn3)C2)n1 1889111314 FQGYLACAYLYLAV-AWEZNQCLSA-N 366.450 2.632 30 40 FFEB C[C@@H](Oc1ccccc1)C(=O)NCC1CCN(c2ncccc2C#N)CC1 70929147 CJAYYODDWAPAON-MRXNPFEDSA-N 364.449 2.753 30 40 FFEB O=C1CCCC/C1=C/Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 100710017 UZLRUAWYBPPWPB-SEYXRHQNSA-N 358.423 2.716 30 40 FFEB C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[C@@H](C#N)C(=O)c1nccn1C 101735940 FHDFQSHFHWOGLF-WDEREUQCSA-N 365.311 2.798 30 40 FFEB COc1ccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccc(O)c(OC)c2)cc1 1252712 VUOMLWCPJUQBSD-SFHVURJKSA-N 369.373 2.898 30 40 FFEB C#Cc1cccc(NC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)c1 29481780 PHMDPVLBSAOOPR-UHFFFAOYSA-N 373.338 2.922 30 40 FFEB N#Cc1ccccc1OCc1cc(=O)n2cc(Br)ccc2n1 3618275 QXCDEYTXVKHUOD-UHFFFAOYSA-N 356.179 2.908 30 40 FFEB NS(=O)(=O)c1ccc(N/C(S)=N\Cc2ccc(Cl)cc2)cc1 13470992 YLGYZZQFFUNCMT-UHFFFAOYSA-N 355.872 2.885 30 40 FFEB CCCCCCCCn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C 8434862 UMAJXYRREIUVQF-UHFFFAOYSA-N 361.490 2.774 30 40 FFEB biogenic C=CCOc1ccc(CN(C)CC(=O)NC(=O)NCc2cccs2)cc1 8533085 YXNCIGLHXFATTM-UHFFFAOYSA-N 373.478 2.771 30 40 FFEB Cn1c(=O)n(C)c2cc(/C=C3\SC(=Nc4ccccc4)NC3=O)ccc21 408897078 VFYOBBLXSVLGOH-WJDWOHSUSA-N 364.430 2.769 30 40 FFEB C=CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1ccccc1 8502418 PZWGMZNDEIGJOM-NRFANRHFSA-N 363.417 2.673 30 40 FFEB Cc1ccc(N=C[C@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1C 408530381 FEWWQVBAMLAHGY-OTRWWLKZSA-N 353.422 2.889 30 40 FFEB CCOC[C@]1(C#N)[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O 218190367 CKGXFOMIYWVMJF-HZSPNIEDSA-N 358.257 2.506 30 40 FFEB CO[C@H]1CCC[C@@H]1CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 579743873 MZTRYKAOLPQPSD-APWZRJJASA-N 359.445 2.845 30 40 FFEB O=C(NCC#CCOc1ccc2c(c1)OCO2)c1ccc2ncsc2c1 90730677 IXZIBVQWJVUPEW-UHFFFAOYSA-N 366.398 2.837 30 40 FFEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(N(C)CCC#N)cc2)cc1 4347950 XWZLSZHUUMHWSL-XSFVSMFZSA-N 356.451 2.657 30 40 FFEB CCCN(CCC)c1nc(N/N=C/c2ccc([N+](=O)[O-])cc2)nc(OC)n1 4693923 IXAUNYJNPZKPEX-LDADJPATSA-N 373.417 2.861 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1ccc(F)cc1 102881766 XSIMNALKYKVQHW-IBOXJLQUSA-N 359.353 2.795 30 40 FFEB C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc2c(c1)NC(=O)CO2 55891342 ZLLINTLVSAJIHL-UHFFFAOYSA-N 352.390 2.855 30 40 FFEB CCN(Cc1ccc2c(c1)OCO2)C[C@H](O)COc1ccc(C#N)cc1 57681811 XKNCPGJLBQEOAO-KRWDZBQOSA-N 354.406 2.549 30 40 FFEB CCCCS(=O)(=O)c1nnc(/N=C(\O)COc2ccccc2)s1 27664385 PLNRFZSQEUIZQA-UHFFFAOYSA-N 355.441 2.779 30 40 FFEB N#Cc1ccc(OCCOC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 19483160 QYQHAJVJNSZMBH-UHFFFAOYSA-N 368.389 2.626 30 40 FFEB N#Cc1c(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)sc2c1CCC2 6583106 AHKOAGGXHIRCQR-UHFFFAOYSA-N 369.233 2.611 30 40 FFEB C=CCSc1nnc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)s1 9363944 SGBYJLJUEZLTOK-JTQLQIEISA-N 352.485 2.546 30 40 FFEB CCOc1ccc(C(=O)NCC(=O)Nc2ccc(C#N)cc2)cc1OCC 15568522 XPPDQDWYLPATCB-UHFFFAOYSA-N 367.405 2.724 30 40 FFEB N#Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 8195515 RSVIPHRVHHFYBT-UHFFFAOYSA-N 369.446 2.985 30 40 FFEB CC(=O)N[C@H]1CCCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 95953653 UMTSAEXKYLAKGG-HOCLYGCPSA-N 374.510 2.620 30 40 FFEB CC(=O)N[C@]1(c2nc(C)cs2)CCN(c2nc(C)cc(C)c2C#N)C1 548334198 SBTHTHPWJZVIPB-GOSISDBHSA-N 355.467 2.577 30 40 FFEB COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)C(=O)O)cc1 218105424 WBWHPOVJCKOFNT-SCTDSRPQSA-N 371.414 2.538 30 40 FFEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C 32506633 UYVYPCMBXZHVQX-YTRIFDNDSA-N 366.508 2.787 30 40 FFEB CCCCCCCCCCNS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 226860203 CRWUKUVCKLEAHP-UHFFFAOYSA-N 366.483 2.989 30 40 FFEB Cc1ccc(NC(=O)CN(C)CCC(=O)Nc2ccc(C#N)cc2)cc1 12939496 LSKBMYHJLKKIGG-UHFFFAOYSA-N 350.422 2.766 30 40 FFEB COc1ccc(OC)c([C@H]2O[C@]3(C)OC(=N)[C@](C#N)([C@H]3C)C2(C#N)C#N)c1 100147032 GFHRKJBJWRYYFO-FNMLVEFPSA-N 366.377 2.678 30 40 FFEB C=CCNS(=O)(=O)c1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1 32904722 BXXVHDRALSPAHJ-CQSZACIVSA-N 356.447 2.742 30 40 FFEB COCCN1CC[C@]2(CCCN(Cc3ccc(F)c(C#N)c3)CC2)C1=O 108525727 VVGLVTQZJPZFIB-HXUWFJFHSA-N 359.445 2.548 30 40 FFEB O=C(C[C@@H]1S/C(=N\c2ccccn2)NC1=O)Nc1ccc(F)cc1F 27577221 MOBOYRDEGVQVHT-LBPRGKRZSA-N 362.361 2.608 30 40 FFEB Cc1cccc(-c2nnc(SCc3ccc(C#N)cc3)n2CC(N)=O)c1 6586068 BGKVQGTYMNZSIK-UHFFFAOYSA-N 363.446 2.903 30 40 FFEB Cc1noc(C)c1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCC2 6933417 CXXRCPFMCVSKQV-UHFFFAOYSA-N 359.407 2.899 30 40 FFEB N#C[C@]1(N)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252514961 FNNGALRYOOUWSV-XHSDSOJGSA-N 350.802 2.640 30 40 FFEB N#Cc1cc(C(=O)c2cc(F)ccc2O)cn(-c2ccccc2F)c1=O 3251466 HAMCVPHDQQWJDA-UHFFFAOYSA-N 352.296 2.924 30 40 FFEB C#Cc1cccc(NC(=O)CN(C)C(=O)COc2cccc(CC)c2)c1 40146475 YTGWKGIVWBDXGX-UHFFFAOYSA-N 350.418 2.706 30 40 FFEB CCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 79054821 DAOIJFNCFWFMRR-UHFFFAOYSA-N 370.434 2.676 30 40 FFEB COc1cc(/C=N/n2c(C)nnc2C)ccc1OCc1c(C)noc1C 23097936 JTILYHFQYACGOZ-DJKKODMXSA-N 355.398 2.970 30 40 FFEB C#Cc1cccc(NC(=O)CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1 48355979 JTWKJSWHMSGLRW-UHFFFAOYSA-N 369.402 2.667 30 40 FFEB COc1ccc(CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1F 12911302 KMJKJXTUMVGMIG-UHFFFAOYSA-N 367.424 2.593 30 40 FFEB CN(C)S(=O)(=O)c1cccc(NC(=S)N/N=C/[C@H]2CC=CCC2)c1 13682994 WCYAIURDYHCKOE-VLURKWGBSA-N 366.512 2.565 30 40 FFEB C=CCSc1nc2cc(C(=O)OC)ccc2c(=O)n1C[C@H]1CCCO1 6003788 SREHOFLVWPZYLQ-CYBMUJFWSA-N 360.435 2.640 30 40 FFEB N#CC1(C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)CCCC1 96005178 QXKPLCGMLQMIRE-INIZCTEOSA-N 361.467 2.503 30 40 FFEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(F)cc1 5445217 WHQPQRKVIJWIAD-GHNGSUTGSA-N 368.408 2.809 30 40 FFEB COc1ccc(/C=N/n2cncn2)cc1COc1ccc([N+](=O)[O-])c(C)c1 4821948 MUQKTJWWZWIOCF-AWQFTUOYSA-N 367.365 2.965 30 40 FFEB Cc1ccccc1/C=C/C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 6868288 WXOBVIVBTBESCL-DHZHZOJOSA-N 371.458 2.912 30 40 FFEB CC(C)Oc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c(O)c1 408586926 DBYUGWQZRAKSPL-WWLMHMGMSA-N 366.417 2.566 30 40 FFEB O=C1[C@H]2[C@H](C(=O)N1/N=C/c1cc3c(cc1Cl)OCO3)[C@H]1C=C[C@H]2C12CC2 408728569 OWZVTKHIRDPNCY-GZKHRACRSA-N 370.792 2.600 30 40 FFEB C=CCN(CC=C)[C@@H](CNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1)C(C)C 60342932 UBYVOHXGQIMPMT-INIZCTEOSA-N 372.517 2.985 30 40 FFEB Cc1cc(C(F)(F)F)nn1C/C(N)=N/OC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 36612171 NZAMPRBTRXBOGM-QJPTWQEYSA-N 358.364 2.852 30 40 FFEB N#Cc1cccc([C@H](Nc2ccc3c(c2)N=C(O)CO3)P(=O)(O)O)c1 328593095 DJPTYKHMZDBLOB-MRXNPFEDSA-N 359.278 2.827 30 40 FFEB C=CCSc1nnc(NS(=O)(=O)c2ccc(OC)c(OC)c2)s1 224062395 OPCRJZVNLHNWMK-UHFFFAOYSA-N 373.481 2.634 30 40 FFEB C=C1C(=O)[C@@]23[C@@H](OC(C)=O)[C@H]1CC[C@H]2[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O 141426236 LSUXOKVMORWDLT-VYOQJYSNSA-N 374.477 2.846 30 40 FFEB biogenic,in-vitro Cc1ccccc1-n1nc(C#N)c(N2CCN(c3ccccc3F)CC2)n1 256047115 KKSKEFMICAYBEN-UHFFFAOYSA-N 362.412 2.913 30 40 FFEB N#CCCN(CC1CC1)C(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 75107598 QVJNFHKFDGXJOK-UHFFFAOYSA-N 356.394 2.590 30 40 FFEB C#CCN1CCC[C@@](C[C@H]2CC(c3cccc(F)c3)=NO2)(C(=O)OCC)C1 19529991 CVZQEJBBLMDDOH-NQIIRXRSSA-N 372.440 2.987 30 40 FFEB N#Cc1cc(F)ccc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 78254822 QEIQCBFFFNYLAR-FQEVSTJZSA-N 364.424 2.625 30 40 FFEB Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnnn2C(C)C)cc1 28149475 KUCRFQRZAUMLLM-AWEZNQCLSA-N 358.471 2.990 30 40 FFEB N#C[C@@H](COC(=O)[C@H]1CCCN(c2ncccn2)C1)Cc1ccc(F)cc1 65495586 BRAWFTFGYSVNOJ-IRXDYDNUSA-N 368.412 2.758 30 40 FFEB Cc1ccc(NC(=O)[C@@H](C)Sc2nc(N)c(C#N)cc2C#N)cc1F 18435232 SBGPXYNOWSZUNF-SNVBAGLBSA-N 355.398 2.974 30 40 FFEB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)ON1C(=O)CCC1=O 97940159 RMSOJFRUZHGTBP-MDWZMJQESA-N 351.358 2.886 30 40 FFEB O=C1N=C(N/N=C/c2cccc([N+](=O)[O-])c2)S/C1=C\c1ccccc1O 5636484 URTAUPQTANSFFX-PFVOVTSXSA-N 368.374 2.894 30 40 FFEB COc1ccccc1C(=O)N1CCC[C@H](COc2cc(C#N)ccn2)C1 1775971691 YWWVKALRCFTILV-INIZCTEOSA-N 351.406 2.893 30 40 FFEB N#Cc1ccc(CN2CCN(C(=O)c3cc(-c4cccnc4)on3)CC2)cc1 40130526 GWNVJAFMYZDDAZ-UHFFFAOYSA-N 373.416 2.566 30 40 FFEB CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1CCN1CCOCC1 20347413 WILWWWRCNWYTCE-UHFFFAOYSA-N 364.445 2.818 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 102863639 ORYOZNMZNWSUKM-GHNGSUTGSA-N 367.401 2.763 30 40 FFEB COCc1nn2c(N)c(C#N)cnc2c1-c1ccc(Br)cc1 20636041 DRARHEYWRMVHQQ-UHFFFAOYSA-N 358.199 2.759 30 40 FFEB Cn1c2ccccc2n2c3cnc(N4CCCCC4)nc3c(=O)c(C#N)c12 3216752 YEIQZQJLYZIZQL-UHFFFAOYSA-N 358.405 2.596 30 40 FFEB CCOc1ccc(/C=C/C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1OC 9552492 WVCMVSRTYWWFIP-MFUYTVRRSA-N 374.437 2.705 30 40 FFEB C#CCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCCC1 226278430 LVDBPDBPJZSTMV-UHFFFAOYSA-N 354.328 2.602 30 40 FFEB C=CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(C)C)cc1 575420406 HOBGZKLEZRTCEV-QGZVFWFLSA-N 371.524 2.564 30 40 FFEB C/C(=N\c1ccc(C(=O)O)c(O)c1)c1c(O)c2ccccc2n(C)c1=O 5725445 BABLXNOBWKVDSC-KEBDBYFISA-N 352.346 2.789 30 40 FFEB COc1ccc2cc(C(=O)NC(C)=O)/c(=N/c3cccc(C#N)c3)oc2c1 4247132 PIJUDBUSXZVHCY-ATJXCDBQSA-N 361.357 2.822 30 40 FFEB CN1CCN(C(=O)CSc2nc(-c3cccs3)ccc2C#N)CC1 20230609 QNEVORVZRNTZHW-UHFFFAOYSA-N 358.492 2.548 30 40 FFEB C=CCN(Cc1ccc(Cl)s1)CN1C(=O)C(=O)N(CC(C)C)C1=O 57522464 XVWBFJSXOTUJAD-UHFFFAOYSA-N 369.874 2.794 30 40 FFEB CC(C)[C@](C)(C#N)NC(=O)COc1ccc(C(=O)NC2CCCC2)cc1 58203316 HQGADTDYKWKGOQ-FQEVSTJZSA-N 357.454 2.792 30 40 FFEB C=CCNC(=O)CSc1nnc(-c2cc(Br)cs2)n1C 2790225 ACEJOFAMWOMRTP-UHFFFAOYSA-N 373.301 2.700 30 40 FFEB COc1ccccc1NC(=O)C[C@H]1S/C(=N\C2CCCCC2)NC1=O 12995491 ZTPMFVTVEKMUML-OAHLLOKOSA-N 361.467 2.944 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccccc1F 5045108 QVRDXNUIXPPGCZ-INIZCTEOSA-N 359.353 2.952 30 40 FFEB O=C1/C(=C/c2ccncc2)Oc2cc(OC(=O)N3CCOCC3)ccc21 5163845 KJCGFHQGPHGQTR-BOPFTXTBSA-N 352.346 2.529 30 40 FFEB Cn1c(Cc2cccs2)nnc1SCC(=O)NC1(C#N)CCCC1 5580331 VRVZMOBTZSEGJM-UHFFFAOYSA-N 361.496 2.512 30 40 FFEB C[C@@H](NC(=O)Nc1ccc(F)cc1C#N)c1ccc(S(C)(=O)=O)cc1 97036789 HAMGWSCUKHEFTA-LLVKDONJSA-N 361.398 2.984 30 40 FFEB C[C@@H]1CCn2ncc(C(=O)N3CC=C(B4OC(C)(C)C(C)(C)O4)CC3)c2C1 1776000197 MDELHHNEVVSUGJ-CQSZACIVSA-N 371.290 2.869 30 40 FFEB NC(=S)N/N=C/c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 3210139 WSYQKUDHDNWNRD-DJKKODMXSA-N 356.842 2.755 30 40 FFEB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)CS/C1=C/C(=O)C(C)(C)C 169900726 OOWUODDVSJZLQS-SSTXIFODSA-N 352.500 2.808 30 40 FFEB Cc1nc2ccccc2c(=O)n1CC1CCN(c2ccnc(C#N)c2)CC1 1888879049 FVNLMICPZZMLNL-UHFFFAOYSA-N 359.433 2.888 30 40 FFEB COc1ccc2o/c(=N\c3cccc(C#N)c3)c(C(=O)NC(C)=O)cc2c1 5125635 GPUVLRLDAGVAFS-ATJXCDBQSA-N 361.357 2.822 30 40 FFEB CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2cccnc2)cc1 808058 PBOAJJSLIHEDLW-KRWDZBQOSA-N 366.373 2.747 30 40 FFEB CC1=CC(=NOS(=O)(=O)c2ccc(Br)cc2)C=C(C)C1=O 3074619 NCGNDDMJSNCQRN-UHFFFAOYSA-N 370.224 2.986 30 40 FFEB COc1ccc(CN2CC[C@@]3(C[C@@H](Nc4cccc(C#N)n4)CO3)C2)cc1 107728715 HQHRUAGYZLHBFA-WIYYLYMNSA-N 364.449 2.807 30 40 FFEB N#Cc1c(CCCNC(=O)Nc2cc(Cl)ccc2Cl)n[nH]c1N 43154882 NWDKSTISNAWHDG-UHFFFAOYSA-N 353.213 2.925 30 40 FFEB CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(O)cc1)C1=C(CCCC1=O)N2 100888140 UXGLDTYBESPBOO-ZDUSSCGKSA-N 355.419 2.762 30 40 FFEB C=CCNC(=O)c1c(NC(=O)c2snnc2C)sc2c1CCCC2 11913955 LYISDPAXFQQYQD-UHFFFAOYSA-N 362.480 2.955 30 40 FFEB Cc1ccc(Cn2c(=O)c(C#N)cc3c(=O)n4cc(C)ccc4nc32)cc1 6809457 UMNZEBWCRMHFSM-UHFFFAOYSA-N 356.385 2.546 30 40 FFEB C#CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1 408865147 BBSHCUJVZKOYRY-JXAWBTAJSA-N 374.396 2.927 30 40 FFEB N#Cc1ccccc1CO/N=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1 408596610 SDSGEZHZDHVBEF-BKUYFWCQSA-N 366.377 2.854 30 40 FFEB CCOC(=O)COc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1OC 34865339 FIBHEOZVAQICFN-ODLFYWEKSA-N 373.365 2.991 30 40 FFEB C=C(Br)Cn1cnc2sc(C(=O)OCC)c(C)c2c1=O 59928470 FYBBBDNPLPTDRJ-UHFFFAOYSA-N 357.229 2.852 30 40 FFEB COc1cc(/C=N/Nc2nc3ccccc3nc2O)cc(OC)c1OC 16692658 CQSSPEVTZAHIML-VXLYETTFSA-N 354.366 2.807 30 40 FFEB C=CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2OC)C(C(=O)OC)=C1C 6348233 SPXWULKBABMHPX-KAMYIIQDSA-N 373.405 2.571 30 40 FFEB C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)/C(C)=C\C)C[C@@]2(C)OC1=CC2=O 230106183 BITFKDUCQOBZDL-WEGPXGNGSA-N 358.390 2.554 30 40 FFEB biogenic,in-vitro COc1ccc(NC(=O)Cn2c(-c3ccc(C)cc3)ncc(C#N)c2=O)cc1 15829766 GRYTVUJWWJJTOY-UHFFFAOYSA-N 374.400 2.738 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)Cc1cc(C(C)=O)ccc1OC 32768328 UKYOIAXQMNZARG-UHFFFAOYSA-N 366.417 2.995 30 40 FFEB C=CCn1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O 784861 ZQYPIUIMAOBXGV-UHFFFAOYSA-N 355.419 2.584 30 40 FFEB C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]21OCC1=O 118936654 NVDNCLODVOXYKU-CWFJNAJYSA-N 362.441 2.919 30 40 FFEB COc1ccc(Br)c(NCC(=O)N[C@@](C)(C#N)C(C)C)c1 58323497 PMLWDWFMFLULKE-HNNXBMFYSA-N 354.248 2.924 30 40 FFEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])s1 2726149 XPQMUXODOWKMNO-UHFFFAOYSA-N 365.754 2.977 30 40 FFEB N#CC1(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)CCCCC1 7798672 KNLIYBRZEVEXFD-UHFFFAOYSA-N 366.450 2.941 30 40 FFEB Cc1cnc(NC(=O)CSc2nc(N)c(C#N)c(C3CC3)c2C#N)s1 13577363 ZETWQOQNEQNBJY-UHFFFAOYSA-N 370.463 2.780 30 40 FFEB C=CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C)cc2C)c1=O 51316056 XIJGIXDFAAXRTE-UHFFFAOYSA-N 363.417 2.605 30 40 FFEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)C)cc1 101302487 ZRZODZDQTRQKGZ-NHYXNVPJSA-N 366.508 2.821 30 40 FFEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1cccc(F)c1 102929613 WKOMKVROLYVYLP-SELCWUDQSA-N 368.408 2.809 30 40 FFEB C=CCn1c(SCC(=O)N2CCCC2)nc2sc(C)c(C)c2c1=O 3268709 OZIHOGQRBZVLFW-UHFFFAOYSA-N 363.508 2.975 30 40 FFEB C=CCn1c(SCC(=O)NCC(F)(F)F)nnc1-c1ccccc1 3485212 QZSJVDLHTSTDFC-UHFFFAOYSA-N 356.373 2.902 30 40 FFEB C(=N/c1nnc(N2CCC(c3ccccc3)CC2)s1)\N1CCOCC1 1418471 PNOBLXHYEKGMNH-XMHGGMMESA-N 357.483 2.914 30 40 FFEB COc1ccc(CNC(=O)/C=C/c2ccc(OCC#N)c(OC)c2)cc1 3353718 NVMNEQKGFVELCN-UXBLZVDNSA-N 352.390 2.936 30 40 FFEB CCN(CC)C(=O)CSc1nc(-c2ccc(C)cc2)c(C#N)c(=O)[nH]1 5238287 MHQVEAZWQCVRFI-UHFFFAOYSA-N 356.451 2.578 30 40 FFEB C=CCNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 4996173 QFRFVYFYAGQYCQ-UHFFFAOYSA-N 364.854 2.838 30 40 FFEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1cc([N+](=O)[O-])ccc1Cl 409183758 SQAZGQMWEYHIIL-DFWQEVIXSA-N 359.769 2.779 30 40 FFEB COc1cc(/C=N/NC2=NC(=O)CS2)ccc1OCc1ccc(F)cc1 4604717 DFWBNAAUFZFSGY-AWQFTUOYSA-N 373.409 2.966 30 40 FFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(Cc2cccs2)CC1 23717319 RKJVRYVTRXOYPA-OAHLLOKOSA-N 355.463 2.731 30 40 FFEB Cc1cc(SCC(=O)Nc2c(C#N)cnn2-c2ccccc2)nc(C)n1 58226364 FPEVORBHBQQBTN-UHFFFAOYSA-N 364.434 2.882 30 40 FFEB C=CCNC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1CC(F)(F)F 58305403 XWWWONJHZLODBB-JTQLQIEISA-N 371.388 2.685 30 40 FFEB COCCN1CC[C@@]2(CCCN(Cc3ccc(F)c(C#N)c3)CC2)C1=O 108525729 VVGLVTQZJPZFIB-FQEVSTJZSA-N 359.445 2.548 30 40 FFEB Cc1ccc(NC(=O)CN(C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 12916170 GBXZGJIWMJCKKN-INIZCTEOSA-N 356.470 2.597 30 40 FFEB COC(=O)/C(=N\Nc1ccc(C)cc1)Sc1nnnn1-c1ccccc1 4995994 KGUREHBWHYYMPZ-XDJHFCHBSA-N 368.422 2.661 30 40 FFEB Cc1ccc(N(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C(C)C)cc1 95454785 BZKSHEZQSOLUDI-HXUWFJFHSA-N 356.514 2.902 30 40 FFEB C[C@@H]1C[C@@H]2O[C@H]2/C=C\C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 5492965 WYZWZEOGROVVHK-RPJJWQTDSA-N 364.781 2.692 30 40 FFEB biogenic,in-vitro C=CCNC(=O)Nc1ccc(NS(=O)(=O)c2cc(C)ccc2O)cc1 57116989 RMUVLGJUAQWNBE-UHFFFAOYSA-N 361.423 2.809 30 40 FFEB C=CCNS(=O)(=O)c1cccc(C(=O)N(CC)CCC(F)(F)F)c1 58159273 OSFQWTNNDHKTIG-UHFFFAOYSA-N 364.389 2.565 30 40 FFEB N#Cc1c(N)sc2c1CCN(C(=O)c1cccc(N3CCCC3=O)c1)C2 89735021 BKDBSNAJJFZYBI-UHFFFAOYSA-N 366.446 2.527 30 40 FFEB N#Cc1ccccc1N1CCCN(CC(=O)NC2CCCCCC2)CC1 46086693 MHFZDNBHSUMOIZ-UHFFFAOYSA-N 354.498 2.909 30 40 FFEB COc1ccccc1NC(=O)C[C@H]1S/C(=N/c2ccccc2)NC1=O 6470795 KKJDCEZNVFBWAY-OAHLLOKOSA-N 355.419 2.943 30 40 FFEB Cc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)nc(C)c1C 7167699 QKRCOWXAAKOZEM-UHFFFAOYSA-N 357.395 2.913 30 40 FFEB CCN([C@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccccc1C#N 7218992 FJZABUFMXDGTHR-OAHLLOKOSA-N 371.462 2.905 30 40 FFEB COc1cc([C@@H]2NC(=O)NC3=C2C(=O)c2ccccc23)cc(OC)c1OC 28465872 VDTVRZUOKUCPNJ-INIZCTEOSA-N 366.373 2.674 30 40 FFEB C=CCN1CC[C@@]2(CN(Cc3cccnc3)C[C@H]2c2nccs2)C1=O 306142881 XNDUIVNRQKODCG-LPHOPBHVSA-N 354.479 2.542 30 40 FFEB N#C[C@]1(N)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252514960 FNNGALRYOOUWSV-OAGGEKHMSA-N 350.802 2.640 30 40 FFEB O=[N+]([O-])c1cccc(/C=N\N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)c1 17024591 IFTWQJAYGSICME-KMTKGMGQSA-N 359.407 2.622 30 40 FFEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccccc1 19927894 AEIPTLWFWFNBJF-KRWDZBQOSA-N 354.406 2.810 30 40 FFEB COc1ccc(CN(C)CC(=O)Nc2oc(C)c(C)c2C#N)cc1OC 25948732 WHHYPGYVQDWTMR-UHFFFAOYSA-N 357.410 2.856 30 40 FFEB C[C@@H](NS(=O)(=O)CC1(C#N)CCCC1)c1cccc(-n2cccn2)c1 95467505 GMXZMBRYZJJNGH-OAHLLOKOSA-N 358.467 2.937 30 40 FFEB CCOc1ccc(CNC(=S)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 13471761 WXSHPHXNOQKEAH-XDHOZWIPSA-N 358.423 2.992 30 40 FFEB Cc1ccc2c(c1)[C@@](O)(CC(=O)/C=C\c1ccc3c(c1)OCO3)C(=O)N2 4544856 XHAFPHKTWHTOQO-BOYDRYHPSA-N 351.358 2.536 30 40 FFEB O=C1[C@@H]2[C@H](C(=O)N1/N=C/c1ccc(Br)o1)[C@H]1C=C[C@H]2C12CC2 408718700 YODMTINETAXOQQ-VSKQTZGSSA-N 361.195 2.573 30 40 FFEB O=C(C[C@@H]1S/C(=N\CCc2ccccc2)NC1=O)NCc1ccccc1 21133436 NMXFPANNIPEGNS-KRWDZBQOSA-N 367.474 2.523 30 40 FFEB C#CC1(OC[C@@H](O)CN2CCN(c3ccccc3OC)CC2)CCCCC1 23118509 UWDDRCRFIZGSCD-IBGZPJMESA-N 372.509 2.531 30 40 FFEB in-man COc1ccc2c(c1)OC[C@H](/C(O)=N/S(=O)(=O)c1cccs1)C2 50204589 SQJGJXQWEHTVDJ-LLVKDONJSA-N 353.421 2.653 30 40 FFEB N#Cc1c(N2CCN(CCO)CC2)nc(-c2ccccc2)c2c1CCCC2 20591458 WFHYIGRTZFUWPU-UHFFFAOYSA-N 362.477 2.613 30 40 FFEB COc1ccc(/C=N/OCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1OC 107445663 SPACYFSIIMZRTO-DKIWGUMSSA-N 360.454 2.995 30 40 FFEB Cc1c(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c2ccccc2n1C 100982595 JMKLJPSHWBKORH-NDEZNTRXSA-N 359.429 2.874 30 40 FFEB Cc1ccc(C(=O)Oc2ccc(/C=N/NC3=NC(=O)CS3)cc2)cc1 4550117 FMCFXEXNQBBDHC-VXLYETTFSA-N 353.403 2.767 30 40 FFEB CC(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)N(CC#N)c1ccccc12 13635440 TZYQXLXMPZOECV-QFIPXVFZSA-N 370.412 2.686 30 40 FFEB CSc1nc(C2CC2)cc(N2CCN(c3ncccc3C#N)CC2)n1 1888860518 RJHMKCSAVXALMQ-UHFFFAOYSA-N 352.467 2.669 30 40 FFEB Cc1cc(C)cc(C(=O)NCC(=O)O/N=C(\N)c2ccccc2Cl)c1 8986175 FXTVXNYUOFPHDF-UHFFFAOYSA-N 359.813 2.550 30 40 FFEB CO[C@H]1C=CC(=O)[C@@](C)(c2ccc(S(=O)(=O)c3ccccc3)cc2)O1 1589065 BSMULYPUCAQMJS-RTBURBONSA-N 358.415 2.863 30 40 FFEB Cc1cc(/C=N/NC(N)=S)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59250492 VWJMHSRZXJHMPS-CNHKJKLMSA-N 350.831 2.613 30 40 FFEB N#Cc1c(Cl)cccc1N1CCN(CC(=O)N2CCCCCC2)CC1 58176658 QDHQEUAATNSXDF-UHFFFAOYSA-N 360.889 2.736 30 40 FFEB Cc1ccc(N2CC(=O)C(c3nc4ccccc4c(=O)[nH]3)=C2N)cc1Cl 9111119 REMVXPQFJLDAGQ-UHFFFAOYSA-N 366.808 2.602 30 40 FFEB CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1ccc(N(C)C)cc1 4507110 HNSOZARYWUVTBO-UHFFFAOYSA-N 373.434 2.802 30 40 FFEB O=C(C[C@H]1S/C(=N/N=C2CCCCCC2)NC1=O)NCc1ccccc1 4689923 KIPQUFMXPNKMCW-MRXNPFEDSA-N 372.494 2.991 30 40 FFEB N#Cc1cccnc1N1CCCN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)CC1 67619752 ITTQQOYQWLCYAU-MOPGFXCFSA-N 361.449 2.731 30 40 FFEB Cc1cc(/C=N/NC(N)=S)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408933298 AJSLWKHWRVKHJU-CNHKJKLMSA-N 350.831 2.613 30 40 FFEB Cc1nc([C@@H]2CN(/C(O)=N/[C@@H]3CCO[C@@H](c4ccccc4)C3)CCO2)no1 329620099 MOFHATDPKUOXRC-ZACQAIPSSA-N 372.425 2.586 30 40 FFEB Cc1ccc2c(c1)/C(=N/Nc1ccc(C(=O)O)cc1)C(=O)N2C1CSC1 223720835 RQWDAEZTRFFDRU-FXBPSFAMSA-N 367.430 2.971 30 40 FFEB C=C(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)COCC)C2 585107530 ZDKUJLQDYZMMPM-OAQYLSRUSA-N 366.465 2.733 30 40 FFEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3cccc(O)c3)NC2=O)cc1 16712036 ZLROXVWKMPBLGG-OAHLLOKOSA-N 355.419 2.949 30 40 FFEB Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)cc1 52130004 AJEYEWAMNDHWSC-UHFFFAOYSA-N 350.378 2.737 30 40 FFEB CCNc1nc(S[C@@H](C)C(=O)/N=C(/O)NC2CC2)nc2ccccc12 8937287 IXIZWOPNFNZYAX-JTQLQIEISA-N 359.455 2.735 30 40 FFEB O=C(COc1ccccc1F)/N=C1\N=C2N=CC=CN2Cc2ccccc21 102942220 RHQOWXFTURWDOV-NMWGTECJSA-N 362.364 2.948 30 40 FFEB C=CCNc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] 8148004 LRNVWMYJJHNVHM-CHWSQXEVSA-N 353.444 2.859 30 40 FFEB C=CCNC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409025277 PBGAKBNCYLDGJH-HNNXBMFYSA-N 374.462 2.936 30 40 FFEB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 4758434 AIFBIDNFLLKTLI-RSBWHNKUSA-N 364.457 2.757 30 40 FFEB biogenic,in-vitro C=C1C[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](OC(=O)/C(C)=C\C)C[C@]2(C)OC1=CC2=O 72320073 BITFKDUCQOBZDL-NHIBBBCRSA-N 358.390 2.554 30 40 FFEB biogenic,in-vitro C[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1cncnc1 574744722 JQDGMOKOKNSOPN-ZDUSSCGKSA-N 354.385 2.661 30 40 FFEB COc1cc(/C=C/C(=O)c2ccc(OCC(=O)O)cc2)cc(OC)c1O 8321929 VPRDHFZBVSMCHV-FPYGCLRLSA-N 358.346 2.769 30 40 FFEB COCc1cc(C)n(CC(=O)Nc2cccc3ccccc23)c(=O)c1C#N 719929 MLDYDRICRCVEEI-UHFFFAOYSA-N 361.401 2.967 30 40 FFEB C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(Cc2ccsc2)CC1 22914779 TUGAKLHGNOZXSL-OAHLLOKOSA-N 354.479 2.765 30 40 FFEB O=C(O)CN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@H]1c1ccccc1 4936151 RYRBOMNGXSPTHZ-TZZQJPOUSA-N 363.369 2.749 30 40 FFEB N#Cc1cccnc1N1CCCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)CC1 67619753 ITTQQOYQWLCYAU-RBUKOAKNSA-N 361.449 2.731 30 40 FFEB COc1cccc(N2CCc3nc(N)c(C#N)c([C@@H]4CCOC4)c3C2)c1 72145591 YKMWWEWLFSDSTQ-CYBMUJFWSA-N 350.422 2.611 30 40 FFEB C#Cc1cccc(NC(=O)N[C@@H]2CCCN(c3ccccc3OC)C2=O)c1 72288016 XLGSKUDIUKOLGJ-QGZVFWFLSA-N 363.417 2.994 30 40 FFEB C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1 408813889 YUBSBSCINMDAJP-QGOAFFKASA-N 374.396 2.982 30 40 FFEB COC[C@]1(C#N)[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 242574902 NIVOSQLITCKFAG-GUDVDZBRSA-N 371.414 2.511 30 40 FFEB CC[C@H](C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1 245228718 DARCDLGFGWROTN-PIYAOJSRSA-N 366.508 2.643 30 40 FFEB Cc1ccc(C#N)c(N2CCC(Cn3cnc4ccccc4c3=O)CC2)n1 1889148993 QNQPGOHOLMPRRY-UHFFFAOYSA-N 359.433 2.888 30 40 FFEB C#CC1(OC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)CCCCC1 23118513 UOQIGMZTLWHOOA-FQEVSTJZSA-N 360.473 2.661 30 40 FFEB in-man C#Cc1cccc(NC(=O)CNC(=O)[C@H](C)Oc2ccccc2Cl)c1 40152075 ZZXQDGNOCIUAGV-ZDUSSCGKSA-N 356.809 2.844 30 40 FFEB COc1ccc([C@@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1O 20763715 ZWCRKZJIBATFJU-ZDUSSCGKSA-N 350.326 2.765 30 40 FFEB biogenic O=C1C(=O)N(CCO)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 102802803 GRYIUBZNDKUQCA-UYTDBDHRSA-N 357.793 2.754 30 40 FFEB Cc1cc([C@H](C#N)C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)nc(C)n1 41560339 SKMOTZHWHOBARO-HKUYNNGSSA-N 374.444 2.812 30 40 FFEB Cc1cc(C)c2nc(-n3ncc(C#N)c3NS(C)(=O)=O)cc(C)c2c1 12241522 CYKIMFFXBOTFRQ-UHFFFAOYSA-N 355.423 2.589 30 40 FFEB Cc1cc(C(F)(F)F)nn1C/C(N)=N/OC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 105544406 NZAMPRBTRXBOGM-SDDRHHMPSA-N 358.364 2.852 30 40 FFEB C#Cc1cccc(NC(=O)CN(C)C(=O)Nc2ccsc2C(=O)OC)c1 56334048 NFESEQSKMPMCGG-UHFFFAOYSA-N 371.418 2.618 30 40 FFEB COc1ccc(OCC(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1 3264425 HLKXHHMXYLSKRF-UHFFFAOYSA-N 368.389 2.564 30 40 FFEB Cc1oc(NC(=O)CN(C)Cc2ccc3c(c2)OCCO3)c(C#N)c1C 25948789 NHJOTDIAOQIBCU-UHFFFAOYSA-N 355.394 2.610 30 40 FFEB COc1ccc(/C=N/c2cnn(C)c2C(=O)NCc2ccco2)cc1OC 2797961 QLFLGIAVVGBIQI-KEBDBYFISA-N 368.393 2.711 30 40 FFEB C/C(=N\N=C1/S[C@H](CC(=O)O)C(=O)N1c1ccccc1)c1ccco1 39366555 LPWZTQQUBFICOZ-XGZFCMHBSA-N 357.391 2.983 30 40 FFEB C#CCN1C(=O)S/C(=C\c2cc(OC)c(N3CCCC3)cc2OC)C1=O 13881415 GCLXKAKPMAFUPH-BOPFTXTBSA-N 372.446 2.974 30 40 FFEB CC(C)COC(=O)CN1C(=O)S/C(=C\c2ccc(OCC#N)cc2)C1=O 409363963 KJMNEHZDLKMIDV-DHDCSXOGSA-N 374.418 2.824 30 40 FFEB CCc1nnc(S)n1/N=C/c1ccc(N(C)C)c(Br)c1 408859891 VAAANQLGRQHUDB-OVCLIPMQSA-N 354.277 2.840 30 40 FFEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)c(C)c1 32508253 VNAFUGIGPYXIDZ-WPIBOPBSSA-N 366.508 2.705 30 40 FFEB Cc1cc(-c2ncn([C@H]3CCCCO3)n2)ncc1B1OC(C)(C)C(C)(C)O1 642882472 BZGCKYLLWGOIPI-MRXNPFEDSA-N 370.262 2.647 30 40 FFEB Cn1ccnc1CN1CCC[C@@H]1c1ccnc(Nc2ccc(C#N)nc2)n1 585293403 GWFGJOLGTDPHJU-QGZVFWFLSA-N 360.425 2.557 30 40 FFEB CCN(CC)c1ccc(/C=N/Nc2cc(N3CCOCC3)ncn2)cc1 5003215 RFYJJRPCWMXPJP-HYARGMPZSA-N 354.458 2.605 30 40 FFEB C[C@@H](Sc1nnc(C(F)(F)F)n1C)C(=O)Nc1ccccc1C#N 3414097 JMDLTFWNQLPDPB-MRVPVSSYSA-N 355.345 2.825 30 40 FFEB N#CCCN(C(=O)COC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 3226813 QNGVXJHTXYJOOA-UHFFFAOYSA-N 367.361 2.627 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)CCc1ccc2c(c1)OCO2 21974716 OEYUBWVBVGHPBY-UHFFFAOYSA-N 352.390 2.902 30 40 FFEB Cc1sc2[nH]c([C@@H](C#N)C(=O)Nc3ccccc3F)nc(=O)c2c1C 89562883 OAIAJIQETOXKPO-SNVBAGLBSA-N 356.382 2.986 30 40 FFEB C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224834469 RAGCNLZDLRCHKA-UHFFFAOYSA-N 370.430 2.905 30 40 FFEB N#Cc1cccnc1OC1CCN(C(=O)Cn2ccc3ccccc32)CC1 96119253 QFINSLVTNPCDTD-UHFFFAOYSA-N 360.417 2.978 30 40 FFEB N#Cc1cccc(C(=O)N2CC3(C[C@H](OCc4ccccn4)CS3)C2)c1 575403032 HSEWZVRHQKCQBP-SFHVURJKSA-N 365.458 2.870 30 40 FFEB C=CCNc1nc(C(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cs1 12931270 MTHQMGVAOUYXOI-UHFFFAOYSA-N 361.379 2.997 30 40 FFEB CCCOC1(NS(=O)(=O)c2ccc(OC)cc2)C(C)=CC(=O)C=C1C 16807601 DIVPSWVMDSTLGQ-UHFFFAOYSA-N 365.451 2.572 30 40 FFEB CN(C)c1ccc(/C=N/NC(=S)N/N=C/c2ccc(N(C)C)cc2)cc1 1684984 MBUQGKAMDXBKEA-KVVJQUGZSA-N 368.510 2.651 30 40 FFEB O=[N+]([O-])c1ccc(O)c(/C=N/CCC/N=C/c2cc([N+](=O)[O-])ccc2O)c1 1706582 AHMDBYWREAVCIQ-XOBNHNQQSA-N 372.337 2.842 30 40 FFEB CCc1ncnc(N2C[C@@H]3CN(c4ncc(C#N)cc4Cl)C[C@H]3C2)c1F 1888859495 FFSJAGSPVAKHJN-STQMWFEESA-N 372.835 2.671 30 40 FFEB Cc1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)c(C#N)c1C 54981204 GCJZXSSVPRHQFL-UHFFFAOYSA-N 356.474 2.566 30 40 FFEB CCOc1cccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c1OCC(=O)O 409218661 XCZARPDLFXZUFE-ZDLGFXPLSA-N 359.338 2.903 30 40 FFEB C=CCn1c(S)nc2cc(C(=O)Nc3ncccc3C)ccc2c1=O 9834557 ZSZXVUNUVJPLCB-UHFFFAOYSA-N 352.419 2.827 30 40 FFEB COc1ccc(/C=N\n2cnnc2N/N=C/c2ccc(OC)cc2)cc1 35185525 UFRWPVRGPFZJPF-WWZUAIBISA-N 350.382 2.624 30 40 FFEB C#CCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCCCC1 226279030 ULKSUOXHEJIDQT-UHFFFAOYSA-N 368.355 2.992 30 40 FFEB C=CCOc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1 224699110 SEOCJOMGJYGCHI-UHFFFAOYSA-N 361.419 2.840 30 40 FFEB C=CCc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(OC)c1OC 41078376 OEZDFCPFRFSGEJ-UCOZLTMUSA-N 353.378 2.883 30 40 FFEB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 6495282 UWMKPWKZGHRUQC-RSWUNGFYSA-N 358.478 2.831 30 40 FFEB in-vitro N#Cc1ccc(N2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)cn1 1775975738 MZVRISGVHUVHGO-UHFFFAOYSA-N 360.396 2.876 30 40 FFEB Cc1nc2c(C#N)cnn2c(O)c1CC(=O)N[C@@H](c1ccccc1)C(C)C 40114986 IXFDIDNKBDQFHU-GOSISDBHSA-N 363.421 2.671 30 40 FFEB C=CCNS(=O)(=O)c1cccc(C(=O)OCc2cccc(OC)c2)c1 32860230 VXDANJHMCKLVRS-UHFFFAOYSA-N 361.419 2.517 30 40 FFEB COc1ccc(C(N)=O)c(OCc2c(C#N)c(C)nn2-c2ccccc2)c1 23200989 HFLVVNFYVHPMJX-UHFFFAOYSA-N 362.389 2.739 30 40 FFEB NC(=O)c1cc(-c2cs/c(=N\C3CC3)n2N=C2CCCC2)ccc1O 23986477 PODMDTOLGULMAJ-ZZEZOPTASA-N 356.451 2.862 30 40 FFEB O=S1(=O)CC[C@H](/N=C/c2cn(-c3ccccc3)nc2-c2ccco2)C1 27061517 IOMXGAANORUWKZ-BKQORJHRSA-N 355.419 2.738 30 40 FFEB COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]1CC[C@]1(O)[C@H](O)[C@]3(C(C)C)O[C@H]3C[C@@H]12 104133780 IQTQXFZDFSEPKD-VBNFAEQJSA-N 366.498 2.671 30 40 FFEB C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CC(=O)Nc1cccc(F)c1 3433449 KKHRFNHGYIGINB-CYBMUJFWSA-N 354.385 2.595 30 40 FFEB COCCCOc1ccccc1NC(=O)N(CCC#N)CCCN(C)C 72314451 PAYGFQAZIPCDIS-UHFFFAOYSA-N 362.474 2.801 30 40 FFEB C[C@H](OC(=O)c1cccc(CO)c1)C(=O)Nc1sc2c(c1C#N)CCC2 84001854 ITTYQHKZNVMGHA-NSHDSACASA-N 370.430 2.785 30 40 FFEB C[C@@H](CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccco1 529161340 SVARLYGHSGPTNT-WMLDXEAASA-N 351.406 2.562 30 40 FFEB CCN(CC)c1ccc(/C=N\N2CCN(c3ccccn3)CC2)c(O)c1 5033891 LATNZNGZFSHVLP-JWGURIENSA-N 353.470 2.790 30 40 FFEB N#Cc1ccc(S(=O)(=O)NC[C@@H](O)c2cccc3ccccc23)s1 1664980459 LYWAXIJFWOGQGY-MRXNPFEDSA-N 358.444 2.785 30 40 FFEB Cc1ncnc(N(C)[C@@H]2CCCN(c3ncc(C#N)cc3Cl)C2)c1F 1888844092 YEZWJZHKWQTESV-CYBMUJFWSA-N 360.824 2.949 30 40 FFEB N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)/C=C/c2ccco2)CC1 40063204 BPOSERYFPRVOTK-AATRIKPKSA-N 364.361 2.761 30 40 FFEB COCCNc1ccccc1CNC(=O)Nc1ccc(OCC#N)cc1 83911669 SACJJEMTLVHSTL-UHFFFAOYSA-N 354.410 2.969 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(O)cc1 66088076 KFYPEPHDHSOIPQ-HNNXBMFYSA-N 359.403 2.678 30 40 FFEB C=CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCC)C(=O)NC1=S 409095480 HYAGOLAYUSYHST-XFXZXTDPSA-N 350.827 2.551 30 40 FFEB COc1cccc(/C=N\Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c1 408733604 MAWDAKKQUKUOKC-ZHZULCJRSA-N 367.457 2.527 30 40 FFEB N#Cc1ccc(Cl)cc1NC(=O)CN1CCN(Cc2ccccc2)CC1 22040542 LJGLBDLERKFKGJ-UHFFFAOYSA-N 368.868 2.968 30 40 FFEB CCc1ccc(N(CC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)cc1 409025152 MSKFBDRPISNMDQ-UHFFFAOYSA-N 371.462 2.720 30 40 FFEB C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H]3C=C(C[C@H](OC(=O)/C(C)=C\C)[C@@H]12)C(=O)O3 31166850 FTPHYXGWMIZVMP-RZYABJHASA-N 358.390 2.554 30 40 FFEB biogenic,in-vitro CCN(C[C@H]1COc2ccccc2O1)C(=O)COc1ccc(C#N)cc1 32966756 WCZFAEFPZGLJEY-KRWDZBQOSA-N 352.390 2.626 30 40 FFEB O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100424553 ACEKLXZRZOWKRY-UHFFFAOYSA-N 350.105 2.935 30 40 FFEB biogenic Cc1nc(Nc2ccc(C#N)nc2)cc(C2CCN(Cc3cn[nH]c3)CC2)n1 585294799 KKSPYBKTOUXVKC-UHFFFAOYSA-N 374.452 2.898 30 40 FFEB COc1ccc(C(=O)/C=C/N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 2110491 ARSZJSLBICRBET-AMMZPXFLSA-N 350.418 2.673 30 40 FFEB CC1=NN(C(=O)c2ccncc2)[C@](O)(C(F)(F)C(F)(F)C(F)(F)F)C1 5296621 ODXKZCVWHIYSEH-SNVBAGLBSA-N 373.228 2.825 30 40 FFEB C#CCOc1cccc(CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)c1 12188206 HUNBIWJKVDUARI-UHFFFAOYSA-N 365.429 2.911 30 40 FFEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1OCC)CC(=O)N2 4944314 NSXLABJFEHCJRY-LBPRGKRZSA-N 357.435 2.921 30 40 FFEB C[C@@H]1CCN(C(=O)COC(=O)CNc2ccc(C#N)cc2)[C@H]2CCCC[C@H]21 107339753 PCWGDZWRAKKZBL-MNEFBYGVSA-N 369.465 2.941 30 40 FFEB CC(C)C(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl 5377334 KQTIDLDDQCRDPU-RGHHBTPQSA-N 372.899 2.597 30 40 FFEB N#Cc1ncn(CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)n1 14143873 HXLNPWCNDUYZHE-LBPRGKRZSA-N 368.447 2.651 30 40 FFEB N#C[C@@H]1C(=O)N=C2Nc3ccccc3N2C12CCN(Cc1ccccc1)CC2 20673379 BZCFCDMPMGNTGV-QGZVFWFLSA-N 371.444 2.989 30 40 FFEB CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(Cl)c1OC 409406826 RFUKKVNIVPZIQU-GVAFMPQTSA-N 374.824 2.888 30 40 FFEB C=CCNc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)O 217582271 MRNJFOKFNXQBHE-UHFFFAOYSA-N 352.456 2.984 30 40 FFEB N#Cc1nccnc1O[C@H]1CCN(C(=O)CCc2cccc(Cl)c2)C1 225802614 TXFYILJREJDKKQ-HNNXBMFYSA-N 356.813 2.614 30 40 FFEB O=C(O)c1ccc2c(c1)CCC/C(=C\c1cn(C[C@H]3CCOC3)nn1)C2=O 585138423 ONSHNTGYDHGIIL-GULXKOIASA-N 367.405 2.615 30 40 FFEB C/C(=N\OCC(=O)NCc1ccc2c(c1)CCC2)c1ccc2c(c1)OCO2 98054774 OPYNXAUFAJHSMH-OEAKJJBVSA-N 366.417 2.961 30 40 FFEB O=C1CNC(=O)c2cc(/N=C/c3cc(Br)ccc3O)ccc2N1 17125945 DULGNKARXGBTNR-CNHKJKLMSA-N 374.194 2.587 30 40 FFEB COc1cccc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)c1OC 7181772 OGQBBIFGFFZJEY-ZDUSSCGKSA-N 360.410 2.592 30 40 FFEB N#Cc1ccc(CNC(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)cc1F 556663319 CVTACEWBKZTPFV-ZWKOTPCHSA-N 354.385 2.812 30 40 FFEB Cc1cc(S(=O)(=O)N[C@H]2CCc3cc(C#N)ccc32)sc1C(=O)O 618631185 ATPLZUWUWPMULI-ZDUSSCGKSA-N 362.432 2.592 30 40 FFEB C=CCn1c2nc3ccccc3nc2c2c(=O)n(C[C@H]3CCCO3)cnc21 5234792 FVYCYPFVJQLYAO-CYBMUJFWSA-N 361.405 2.659 30 40 FFEB CC(=O)Nc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)cc1 15085090 DDYOIGHNQGSRTK-KRWDZBQOSA-N 351.410 2.895 30 40 FFEB CN1CC[C@H](C(=O)[C@@H](C#N)c2ncc(C(F)(F)F)cc2Cl)CC1=O 41549644 ZZRIZAHXUDQBPK-WPRPVWTQSA-N 359.735 2.798 30 40 FFEB CC(=O)Nc1ccc(S(=O)(=O)/N=C(\O)COc2cccc(C)c2)cc1 46927216 AMNQRJURJWZBCJ-UHFFFAOYSA-N 362.407 2.678 30 40 FFEB CCNC(=S)N/N=C/c1ccc(OC(=O)c2cccs2)c(OC)c1 3577216 KXIRWUSFDIBPII-VCHYOVAHSA-N 363.464 2.794 30 40 FFEB Cc1ccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 13042084 PNYYBQHJHJSLQE-HNNXBMFYSA-N 350.422 2.764 30 40 FFEB CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCO)cc1 4095388 HUQBYBQKFAZDSV-GOSISDBHSA-N 367.401 2.656 30 40 FFEB CC1(C)CC(=O)[C@@H]2[C@H](C1)O[C@H](N)[C@H](C#N)[C@@H]2c1cnn(C2CCCC2)c1 408717929 SLOJVWAUJOWOGN-WRNCNIFXSA-N 356.470 2.910 30 40 FFEB O=C1OC2(C(=O)c3ccccc3C2=O)C(C(=O)c2ccc(Cl)cc2)=C1O 5484110 XRRHWJLPHHKQRC-UHFFFAOYSA-N 368.728 2.710 30 40 FFEB N#Cc1ccc(C(=O)Cn2nc(Br)nc2Br)cc1 71978781 FXXAVDMQWNPEGQ-UHFFFAOYSA-N 370.004 2.558 30 40 FFEB CN(CCCNS(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 79098278 XLMPXHHULAIRIZ-UHFFFAOYSA-N 365.405 2.641 30 40 FFEB C#CCOc1c(Cl)cc(C[C@@H]2SC(=O)N(CC)C2=O)cc1OC 6952365 UFJNVMCKGRUZOF-ZDUSSCGKSA-N 353.827 2.987 30 40 FFEB COc1ccccc1N1C[C@@H](C(=O)OCc2ccccc2C#N)CC1=O 7985551 YVKLACVUKUCLEH-INIZCTEOSA-N 350.374 2.663 30 40 FFEB Cc1cccc(C(=O)N2CCCC2)c1NCC(=O)NC1(C#N)CCCCC1 55852087 MFZXSHHNOLOFNK-UHFFFAOYSA-N 368.481 2.986 30 40 FFEB Cc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N/N=C/c3ccco3)S2)cc1C 9087598 SMESDSSDEALFHS-RPJLVFAOSA-N 370.434 2.847 30 40 FFEB C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(C(N)=O)cc1 12793670 YJTFEEYYFBKZSH-UHFFFAOYSA-N 370.883 2.877 30 40 FFEB N/C(=N\S(=O)(=O)c1ccc(Cl)cc1)Nc1nc2ccccc2o1 2656399 FURICFUFDBALCU-UHFFFAOYSA-N 350.787 2.597 30 40 FFEB COc1ccc(-c2nnc(SCC(=O)NC3(C#N)CCCC3)n2C)cc1 5131607 ICRIWAGBDUEDRF-UHFFFAOYSA-N 371.466 2.535 30 40 FFEB Cc1cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)no1 6508191 SRUDCRZCADRGFV-UHFFFAOYSA-N 359.407 2.981 30 40 FFEB O=C1N/C(=N/N=C/c2ccccc2)S[C@@H]1Cc1ccccc1[N+](=O)[O-] 4826741 YDODFSWGFLYADU-CLXYIWAZSA-N 354.391 2.759 30 40 FFEB N#Cc1ccc(OCC[C@H]2CO[C@H]3CN(C(=O)C4=CCCCC4)C[C@@H]23)nc1 306138169 RRNGLYGJBADUOP-FHWLQOOXSA-N 367.449 2.696 30 40 FFEB CN(C)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(CC#N)cc2)cc1 226051011 UZXIUFDZYVDTRC-UHFFFAOYSA-N 371.462 2.574 30 40 FFEB C[C@@H]1S/C(=N/S(=O)(=O)c2cccs2)N(c2ccccc2)C1=O 4538154 SRYVDBSYPNMBBH-SJHSGFPMSA-N 352.462 2.961 30 40 FFEB N#CC1(C(=O)N2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)CCCC1 1614928778 OEXOYRXARJCHFS-MRXNPFEDSA-N 369.469 2.513 30 40 FFEB Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC(=O)O)cc1 20394496 QLJYNKOYLGCXLQ-KRWDZBQOSA-N 351.358 2.658 30 40 FFEB C#CCn1/c(=N/C(=O)c2cccs2)sc2cc(C(=O)OC)ccc21 100875135 CKRQEARKJZKSTO-ZCXUNETKSA-N 356.428 2.925 30 40 FFEB C#CCNC(=O)CN(Cc1ccccc1)[C@@H](C)c1cccc(NC(C)=O)c1 40051376 TUZFIOOJEFDDRO-KRWDZBQOSA-N 363.461 2.958 30 40 FFEB N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1ccc(N2CCCCC2=O)cc1 103503928 BXXXCMDDXGEPNO-GOSISDBHSA-N 367.449 2.975 30 40 FFEB N#Cc1c(SCCCOc2ccccc2)sc2c(=O)[nH]c(=O)[nH]c12 4993711 KIWRMMMKPOOLRB-UHFFFAOYSA-N 359.432 2.711 30 40 FFEB COc1cc(C#N)ccc1OCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 7089712 ITBGEZHTGBCIMC-CYBMUJFWSA-N 365.389 2.710 30 40 FFEB C=CCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2C 8917554 CMDWAHIVDZADTG-JOCHJYFZSA-N 372.380 2.655 30 40 FFEB CC(=O)Nc1ccc(/C=N\NC(=S)Nc2ccc3c[nH]nc3c2)cc1 104046085 XSWHQLZAZLANGS-NVMNQCDNSA-N 352.423 2.842 30 40 FFEB COc1ccc(C2=NOC(=O)/C2=C\c2cccc([N+](=O)[O-])c2)cc1OC 101662338 QFZPOUCQDNWTTI-ZROIWOOFSA-N 354.318 2.957 30 40 FFEB N#CCCNC(=O)COc1c(Br)cccc1Br 49373551 IGJPUNVIVDFEKD-UHFFFAOYSA-N 362.021 2.620 30 40 FFEB N#CCN(C(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)C1CC1 65894719 AKFXCRCMRJMNTH-IBGZPJMESA-N 361.401 2.757 30 40 FFEB COc1cc2c(cc1OC)C(=O)/C(=C\c1ccccc1OCC(=O)O)C2 85876357 KCFFGIBYGPUBIR-AUWJEWJLSA-N 354.358 2.990 30 40 FFEB biogenic CCc1c(C)nc(C(C)(C)C)nc1N1CCN(c2nccc(C#N)n2)CC1 1888864179 IJVABAVIBCDSNS-UHFFFAOYSA-N 365.485 2.633 30 40 FFEB N#CC1(C(=O)N2CCO[C@@H]3C[C@H](COCc4cccnc4)C[C@H]32)CCCC1 1565554457 RQDUREFSTLKBQL-GUDVDZBRSA-N 369.465 2.688 30 40 FFEB CCS(=O)(=O)c1ccc2c(c1)N/C(=C/C(=O)c1ccc(C)cc1)C(=O)O2 100886872 OLGWUQVVEHVYAE-LFIBNONCSA-N 371.414 2.886 30 40 FFEB CCOC1(OCC)[C@@H](c2ccc(N)cc2)C(C#N)(C#N)C1(OCC)OCC 721517 ATYOYRKKVNRSEG-KRWDZBQOSA-N 373.453 2.938 30 40 FFEB COc1cc2cc(C#N)c(SCC(=O)N3CCCC3)nc2cc1OC 1355178 OQOGSYZJKSKYHS-UHFFFAOYSA-N 357.435 2.838 30 40 FFEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C(=O)NC(N)=O)C(C)C)n1 12528627 QFBHBLVFJYOXJW-SNVBAGLBSA-N 360.361 2.592 30 40 FFEB N#Cc1ccccc1N1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 58264356 NXJUNYXLGTYOPR-UHFFFAOYSA-N 364.405 2.748 30 40 FFEB COc1ccccc1N/C=c1\c(C)c(C#N)c2nc3ccccc3n2c1=O 102581279 ZJWDFNVKHZCNDO-NTCAYCPXSA-N 356.385 2.605 30 40 FFEB COc1cc(/C(O)=N/S(=O)(=O)c2ccc(Cl)nc2)cc(OC)c1C 48488189 NJNCDXSHKAPJFV-UHFFFAOYSA-N 370.814 2.754 30 40 FFEB Cc1nnc(N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)n1N 5423624 UPADUWWFOHYHRG-REZTVBANSA-N 361.749 2.568 30 40 FFEB C=CCNC(=O)C[C@H](C)CC(=O)N1CCN(c2cccc(Cl)c2)CC1 4678060 GFWLUZLIRJWCBX-HNNXBMFYSA-N 363.889 2.707 30 40 FFEB C[C@@H](Nc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(C#N)c1 6627910 GABFUMLCKYBMEJ-OAHLLOKOSA-N 350.422 2.834 30 40 FFEB CNc1nc2[nH]c(=O)c([C@H](c3ccccc3F)C(C#N)C#N)c(O)c2s1 17209056 RHFWJUCDOIHBJI-NSHDSACASA-N 369.381 2.666 30 40 FFEB N#Cc1cccc(C(=O)N2Cc3cccn3C[C@H](OCc3ccncc3)C2)c1 585095501 UKPBGSGZCPDPJC-NRFANRHFSA-N 372.428 2.996 30 40 FFEB Cn1cc(CCC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cn1 55385882 VSMRZMASMQBYFB-UHFFFAOYSA-N 352.316 2.804 30 40 FFEB Cc1ccc(C)c(/N=C/c2c(O)[nH]c(=O)n(-c3ccc(F)cc3)c2=O)c1 101602490 DLXSXJKKQLUMRG-UFFVCSGVSA-N 353.353 2.738 30 40 FFEB Cc1ccc(/N=C/c2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1 102238357 WHICQSYZGGAKAN-KGENOOAVSA-N 369.446 2.638 30 40 FFEB COC(=O)C1=C(C(C)=O)[C@H](c2ccc(Cl)cc2Cl)N2NN=NC2=N1 1104776 WJZUACZZPZKWQV-LBPRGKRZSA-N 368.180 2.608 30 40 FFEB CCOC(=O)C1C(C)(C)C(=NNS(=O)(=O)c2ccc(C)cc2)C1(C)C 1710080 WTPSIPHJVSFWAR-UHFFFAOYSA-N 366.483 2.875 30 40 FFEB C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CNCc1cccnc1 12659903 VQWYYIOVDKGSML-OVDOOKCHSA-N 356.466 2.698 30 40 FFEB biogenic COc1cccc(S(=O)(=O)/N=C(\O)[C@H](C)Oc2ccccc2C#N)c1 58186762 ORBVYOQMJYDQGN-LBPRGKRZSA-N 360.391 2.680 30 40 FFEB C[C@@H]1CN(C(=O)CSc2nc3ccccc3n2CCC#N)C[C@@H](C)O1 12633210 CVPXZRNJHSPMER-ZIAGYGMSSA-N 358.467 2.678 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 100301682 PYFMQUCYIDMEMK-PHXIVINHSA-N 371.780 2.635 30 40 FFEB CC1CCC(NC(=O)CN2CCN(c3cccc(F)c3C#N)CC2)CC1 29857055 APIKFTJWSWYXAI-UHFFFAOYSA-N 358.461 2.514 30 40 FFEB COC(=O)C[C@H](NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccc(F)cc1 40158700 CKFFWMHYIDMRPI-ACJLOTCBSA-N 370.380 2.885 30 40 FFEB CCOc1cc2c(cc1/C=C/C(=O)[C@H]1C(=O)C=C(C)OC1=O)O[C@H](C)C2 103337966 OBCVPHNYJUUJRL-PMLVDEDASA-N 356.374 2.637 30 40 FFEB COc1cc(OC)c2cc(CCCNC(=O)c3ccc(C#N)cn3)[nH]c2c1 79057541 JLWBASRAATTWJN-UHFFFAOYSA-N 364.405 2.814 30 40 FFEB Cc1nn(CN(C)Cc2cc(Br)cs2)c(=O)c(C#N)c1C 57086778 SXKQJSUXLSONHU-UHFFFAOYSA-N 367.272 2.645 30 40 FFEB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc(C#N)cc1F 10810309 KUGUKEOYNVTFQM-UHFFFAOYSA-N 359.426 2.510 30 40 FFEB Cc1nn(C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)c(=O)c(C#N)c1C 45821611 VAVCWWKSWIZVMT-CZUORRHYSA-N 361.829 2.524 30 40 FFEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/N3CCOCC3)c2C)cc1 3576228 ZWLMFEDTTNFFJT-KGENOOAVSA-N 355.438 2.937 30 40 FFEB NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccc(Cl)c([N+](=O)[O-])c1 5009268 WVOJGTPUWYJKJH-UHFFFAOYSA-N 369.768 2.841 30 40 FFEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)ccc1C 5490258 NKQUDKCPKGZFEQ-PLDZJGDPSA-N 366.508 2.705 30 40 FFEB COc1cccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccccc3)S2)c1 7882789 UBXYFDBQPPSXJX-OAHLLOKOSA-N 355.419 2.943 30 40 FFEB C=CCN1C(=O)/C(=C/c2cccn2-c2cccc(C)c2C)C(=O)NC1=S 408967668 WOQWTLMKZICVJP-FOWTUZBSSA-N 365.458 2.907 30 40 FFEB CC(C)CN1CCO[C@@]2(CCCC[C@H]2NC(=O)c2ccc(C#N)cc2)C1 306126356 DTKGWZIZGFZSKQ-CTNGQTDRSA-N 355.482 2.958 30 40 FFEB Cc1cc(C)n(-c2ccc(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nn2)n1 8754487 CPCPZRREWIBJGS-KBXCAEBGSA-N 372.498 2.814 30 40 FFEB Cc1nc([C@@H]2CN(/C(O)=N/[C@@H]3CCO[C@H](c4ccccc4)C3)CCO2)no1 329620098 MOFHATDPKUOXRC-IKGGRYGDSA-N 372.425 2.586 30 40 FFEB Cc1cccc(CN2C[C@@H]3OC[C@H](CCOc4ccc(C#N)cn4)[C@@H]3C2)n1 247872962 MCECQYUAVMDCMR-IHPCNDPISA-N 364.449 2.573 30 40 FFEB COc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(Cl)c1OC 254383504 JKMUREWVHXXCIA-UHFFFAOYSA-N 359.769 2.655 30 40 FFEB N#Cc1ccnc(OC[C@@H]2CCCN(c3ncc(Br)cn3)C2)c1 1776001775 LKGVKDQNJOUVBN-CYBMUJFWSA-N 374.242 2.801 30 40 FFEB COC1CCN(c2ccc(NS(=O)(=O)c3ccccc3C#N)cc2)CC1 96122403 LOWPONGBINAYFD-UHFFFAOYSA-N 371.462 2.974 30 40 FFEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N1CCN(Cc3cnn(CC)c3)CC1)C2 19524953 RRVTWMHLIZYARK-WIYYLYMNSA-N 356.514 2.930 30 40 FFEB CC(C)[C@@](C)(C#N)NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 22981363 MMMKUVUOADCCSM-MRXNPFEDSA-N 367.236 2.758 30 40 FFEB Cc1c(/N=C/c2ccc(O)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 33927095 IGPPWHKZNFBRQL-YBFXNURJSA-N 352.350 2.849 30 40 FFEB Cc1ccc(Nc2nc(N)nc(COC(=O)c3ccc(C#N)cc3)n2)cc1 5321140 WACZPMSMANTBQE-UHFFFAOYSA-N 360.377 2.735 30 40 FFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H]1COc2ccccc2O1 14140128 BONSVNANOCFFTR-CQSZACIVSA-N 363.373 2.820 30 40 FFEB C=CCn1c(S[C@H](C(=O)NC(N)=O)C(C)C)nnc1C1CCCCC1 9498409 OOILDPUOXANZOW-ZDUSSCGKSA-N 365.503 2.823 30 40 FFEB CCCN1CCc2nc(N)c(C#N)c(-c3ccc(OC)c(OC)c3)c2C1 18241840 OVDMDRKRPDBWKJ-UHFFFAOYSA-N 352.438 2.988 30 40 FFEB C#CCOc1ccc(/C=C2/S/C(=N/C)N(C)C2=O)cc1Br 408930389 WIWBIHMVYWTFKF-MLUUXWFWSA-N 365.252 2.993 30 40 FFEB O=c1nc(N/N=C/c2cccc([N+](=O)[O-])c2)sc2ccc([N+](=O)[O-])cc12 9971205 DEFQNOWNUCRBFX-LZYBPNLTSA-N 371.334 2.919 30 40 FFEB O=C(Cn1cc(/C=N\c2cccc(O)c2)c2ccccc21)N1CCOCC1 408960812 JCVHLKSXTDHFTK-XKZIYDEJSA-N 363.417 2.956 30 40 FFEB CCOc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)ccc1OC 408729258 YTCMWXUODFBCAD-OQDYNDGYSA-N 354.406 2.625 30 40 FFEB N#Cc1ccc(F)c(CN(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1 40040839 IYZTWIFHJXDSKT-HNNXBMFYSA-N 364.467 2.948 30 40 FFEB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1cc([N+](=O)[O-])ccc1O 3123350 QUQDBYWTZWYTHD-LASGFXPTSA-N 367.361 2.985 30 40 FFEB N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(=O)C4(F)CC4)C3)C2)c1 1614928401 NEDHDAUKEFQBQE-IBGZPJMESA-N 357.429 2.506 30 40 FFEB COc1ccc(OC)c2c1CN(CCCOc1ccc(C#N)cc1)C[C@H]2O 40120250 FOISDKRUMXNIHQ-GOSISDBHSA-N 368.433 2.894 30 40 FFEB CCOc1ccc2nc(SCC(=O)Nc3nonc3C)c(C#N)cc2c1 1354884 NZFLCAXULACIOM-UHFFFAOYSA-N 369.406 2.927 30 40 FFEB C=CCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 3104308 DRLGABCCQBMWTC-UHFFFAOYSA-N 364.854 2.838 30 40 FFEB Cc1cc(C)c(C#N)c(SC[C@H](O)c2ccc(S(C)(=O)=O)cc2)n1 58432366 ORLPPKGOZQGIDQ-INIZCTEOSA-N 362.476 2.799 30 40 FFEB O=C1CCCC2=C1[C@@H](c1ccco1)c1c([nH]c(N3CCCCC3)nc1=O)N2 22607092 ALTRAKSOGLGBCF-MRXNPFEDSA-N 366.421 2.918 30 40 FFEB CC1(C)Cc2c(C#N)c(N3CCNCC3)nc(Cc3ccccc3)c2CO1 13777585 KOLCWDYXUQVBKA-UHFFFAOYSA-N 362.477 2.805 30 40 FFEB N#CCn1c(CSc2ccc3c(c2)OCCO3)nc2ccccc2c1=O 6916539 FTTHBFPDNFAARM-UHFFFAOYSA-N 365.414 2.984 30 40 FFEB CN(C(=O)CSc1nnc(-c2ccco2)n1C)C1(C#N)CCCCC1 4924798 HCDSPBGGMQJCTP-UHFFFAOYSA-N 359.455 2.852 30 40 FFEB C=CCN1CC[C@]2(CN(Cc3ccncc3)C[C@H]2c2nccs2)C1=O 306126422 DVBODPBPLSXPDW-QFBILLFUSA-N 354.479 2.542 30 40 FFEB C=CCn1c(CCCCCCC)nnc1SCC(=O)N1CCOCC1 408560985 SSIRHXQIOJRWII-UHFFFAOYSA-N 366.531 2.928 30 40 FFEB COc1cccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2cc(OC)ccc2OC)c1 5408853 WOCPISROZMYACX-QGZVFWFLSA-N 369.373 2.578 30 40 FFEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(N)nc(=O)c1[C@H]2c1ccc(F)cc1 18211572 AWLNSRPPNCYRKX-ZDUSSCGKSA-N 354.385 2.692 30 40 FFEB COc1ccc(CCC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 23079567 AFRGZLMGNFZFEE-UHFFFAOYSA-N 363.461 2.844 30 40 FFEB N#Cc1cccc(C(=O)N2CCC[C@H](c3nnc(C(F)(F)F)o3)C2)c1 75165237 PDVUNPVEINEMMA-LBPRGKRZSA-N 350.300 2.980 30 40 FFEB N#Cc1ccc(OCCOC(=O)CC[S@@](=O)c2ccccc2F)cc1 32935027 HWGSHAZBZWMWET-VWLOTQADSA-N 361.394 2.817 30 40 FFEB O=C(Nc1ccc(S(=O)(=O)/N=C2/CCCN2)cc1)c1ccccc1F 36391730 JVSRTMXALNNZJU-UHFFFAOYSA-N 361.398 2.549 30 40 FFEB COc1ccc(C)cc1N1C[C@H](/C(O)=N/[C@@H](C)C2=CCN(C)CC2)CC1=O 329261265 AVULQLCBFNAUGW-DOTOQJQBSA-N 371.481 2.963 30 40 FFEB N#Cc1ncccc1N1CC(n2nc(-c3ccc(Cl)cc3)ccc2=O)C1 1775974274 FACLNZNHFRNEDV-UHFFFAOYSA-N 363.808 2.892 30 40 FFEB O=C(NCC#Cc1ccccc1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 32898999 GDJPGDSLUGIHIQ-UHFFFAOYSA-N 371.440 2.904 30 40 FFEB CCn1ncc(C(=O)/C=C/N2CCN(Cc3ccc(F)cc3)CC2)c1C 22276636 OVPANFPTWXOXFK-CMDGGOBGSA-N 356.445 2.865 30 40 FFEB O=[N+]([O-])c1ccc(CS(=O)(=O)/N=C(\O)Cc2c[nH]c3ncccc23)cc1 79094527 FRVWPVJJVGYBHC-UHFFFAOYSA-N 374.378 2.500 30 40 FFEB CC(C)COc1ccc(C(C)(C)CNC(=O)N2CCO[C@@H](C#N)C2)cc1 106586028 NVBFFZBJKISIIW-SFHVURJKSA-N 359.470 2.933 30 40 FFEB Cc1cc(OCC(=O)Nc2cccc(C#N)c2)nc(N2CCC[C@@H](C)C2)n1 44168757 DTLYZUYRSGRNPQ-CQSZACIVSA-N 365.437 2.911 30 40 FFEB CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)NCc2ccc(C#N)cc2)C1 56404967 RQEUFSSLVBGWMQ-MRXNPFEDSA-N 358.442 2.757 30 40 FFEB N#Cc1ccccc1NC(=O)COC(=O)c1cncc(Br)c1 3318552 UMFQQLDDOZYTCN-UHFFFAOYSA-N 360.167 2.511 30 40 FFEB Cc1ccc(OCC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C#N)cc1 2760321 ONRDLXRDHJXDTB-UHFFFAOYSA-N 357.435 2.956 30 40 FFEB CN1C(=O)/C(=C\C2=C/C(=N/Nc3ccccc3)C=CC2=O)SC1=S 96026153 ISJVERODGBEARC-AFJAAKOLSA-N 355.444 2.894 30 40 FFEB C=CCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 4901398 DZRMNMRRCDRJOQ-RBSFLKMASA-N 366.421 2.580 30 40 FFEB COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCCCCC(=O)O)cc1 18144456 FZTIZUDVNRORTQ-QGZVFWFLSA-N 361.394 2.625 30 40 FFEB biogenic C=CCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(F)cc1 20449342 NGRGMFXZEKHDLK-ZDUSSCGKSA-N 374.437 2.881 30 40 FFEB O=C1c2ccccc2C(=O)N1/N=C/c1ccc(I)o1 408995993 CKRJKRSYNQLSFT-VIZOYTHASA-N 366.114 2.514 30 40 FFEB N#CCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccnc1 1611113620 HQMHMFPFVUSXSG-UHFFFAOYSA-N 368.400 2.795 30 40 FFEB O=C(C[C@H]1S/C(=N\Cc2ccccc2)NC1=O)Nc1ccccc1F 6344255 OQRNWPKYBDQVAF-OAHLLOKOSA-N 357.410 2.942 30 40 FFEB Cc1nc(C2CC2)cc(N2CCN(c3ncc(C#N)cc3Cl)CC2)n1 1888843160 POGCEJBYSLJULN-UHFFFAOYSA-N 354.845 2.909 30 40 FFEB C#CCn1/c(=N/C(=O)c2cccc([N+](=O)[O-])c2)sc2cccc(OC)c21 100909858 YFQZZRXCMLVCOD-HNENSFHCSA-N 367.386 2.994 30 40 FFEB COc1ccc([C@H]2/C(=C(/C)O)C(=O)C(=O)N2Cc2cccnc2)cc1OC 102731343 GWBIZICMOMDHGV-WQJNHMDYSA-N 368.389 2.583 30 40 FFEB N#CCCCN1C(=O)[C@](O)(CC(=O)c2ccc(F)cc2)c2ccccc21 2341873 KTWIOMBAAGQQQG-FQEVSTJZSA-N 352.365 2.937 30 40 FFEB C=CCOc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCC)n3C)cc1 4944507 YQZORHYLGIMDJU-AWEZNQCLSA-N 371.462 2.931 30 40 FFEB C=CCOc1ccccc1/C=c1/sc2nc(-c3cccs3)nn2c1=O 2695903 CGWBPDNEIPNWFK-RVDMUPIBSA-N 367.455 2.992 30 40 FFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](CC(=O)O)c1ccc(F)cc1 13178005 UMELNAGCKZSUAU-PXAZEXFGSA-N 356.353 2.797 30 40 FFEB CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 4248283 LHASEJZVJLATAJ-AWEZNQCLSA-N 371.462 2.819 30 40 FFEB COc1cc(C(=O)O/N=C(\N)c2ccc(Cl)cc2)cc(OC)c1OC 4690167 JKLKJRCMAYAMKI-UHFFFAOYSA-N 364.785 2.843 30 40 FFEB Cc1nnsc1C(=O)NCC#CCOc1cccc(C(F)(F)F)c1 85474061 KXDAESCMIMKQFS-UHFFFAOYSA-N 355.341 2.678 30 40 FFEB Cn1cnc(CN2CCC[C@@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)c1 585294975 XAISUMQKCDGJGD-GOSISDBHSA-N 360.425 2.557 30 40 FFEB C=CCN(CC=C)C(=O)COC(=O)c1ccccc1NC(=O)c1ccco1 4979739 QSPGBPBRFYLITM-UHFFFAOYSA-N 368.389 2.889 30 40 FFEB CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)O)c(O)c2)[C@@H]1c1ccccc1 969272 DXATYUNVJWLVIO-MRXNPFEDSA-N 353.330 2.579 30 40 FFEB CCNc1nc(NCC)nc(N/N=C(\C)c2cccc(NC(C)=O)c2)n1 24037791 FEKQWBBFKINSSE-BHGWPJFGSA-N 356.434 2.530 30 40 FFEB O=C(Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2)cc1)c1ccco1 3282342 ORUGZCXVZKFCSZ-UHFFFAOYSA-N 361.423 2.783 30 40 FFEB COc1ccc(C(=O)C[C@]2(O)C(=O)N(CCCC#N)c3ccccc32)cc1 4559142 QWFHGIVANNQGRC-OAQYLSRUSA-N 364.401 2.806 30 40 FFEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2cccc(O)c2)cc1 19138384 UONFLIQGIMNBPK-SCLBCKFNSA-N 367.401 2.660 30 40 FFEB N#CCCN(CCN1CCOCC1)Cc1cc2ccccc2nc1Cl 72315798 UPBKMPVUXXYEEY-UHFFFAOYSA-N 358.873 2.936 30 40 FFEB CCOC(=O)[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 218370203 ICDOBAHSDXGFIS-JENIJYKNSA-N 373.405 2.838 30 40 FFEB COc1ccc(-c2n[nH]c(SCC(=O)NC3(C#N)CCCC3)n2)cc1 9126364 QWAUSZCSYFSEFQ-UHFFFAOYSA-N 357.439 2.525 30 40 FFEB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1c1ccnc(C#N)n1 570528924 FKQHYWIPDSOCGF-GOSISDBHSA-N 374.448 2.788 30 40 FFEB N#CC1(C(=O)N2C[C@H]3CC[C@H]2c2cnc(N4CCCC4)nc23)CCCC1 1565552909 CREXNCVYABPWEF-ZBFHGGJFSA-N 351.454 2.921 30 40 FFEB CN(C)C[C@H](CNC(=O)Nc1ccc(C#N)cc1)[C@H](O)c1ccccc1 40088342 AFULFGCSWGBZJM-PKOBYXMFSA-N 352.438 2.591 30 40 FFEB C=CCn1c(S)nnc1-c1cccc(-c2n[nH]c(=S)n2CC=C)n1 1422332 MSJIAGFWFNOIJP-UHFFFAOYSA-N 357.468 2.922 30 40 FFEB COc1ccc(/C(O)=N/S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 42338885 XASVUTIFGRYERS-UHFFFAOYSA-N 363.391 2.550 30 40 FFEB N#Cc1ccsc1NC(=O)CCN1CCN(c2ccccc2F)CC1 24165625 PNRQESZFPYPYLS-UHFFFAOYSA-N 358.442 2.910 30 40 FFEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl 5490050 UACXWRDSGNZMLX-OVJMFRMASA-N 372.899 2.742 30 40 FFEB COC[C@H](C)NC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n12 6653398 FIYMNDDPLJFBMH-ZDUSSCGKSA-N 368.462 2.911 30 40 FFEB C=CCNC(=O)[C@H](C)OC(=O)c1cc(OCC)c(OCC)c(OCC)c1 39522802 IGCCEHBJENUYJC-ZDUSSCGKSA-N 365.426 2.730 30 40 FFEB COC(=O)[C@H](CS)NC(=O)OCC1c2ccccc2-c2ccccc21 137640951 KZRRJSFOJTUXHR-KRWDZBQOSA-N 357.431 2.997 30 40 FFEB N#Cc1cccnc1N1CCC[C@H](COc2ncc(Br)cn2)C1 1775996087 ULVOGLFAVOQEHX-LBPRGKRZSA-N 374.242 2.801 30 40 FFEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)c(Cl)c1 5486537 FOXJHMGGKLLKQQ-OVJMFRMASA-N 372.899 2.660 30 40 FFEB N#CCc1ccc(NC(=O)Cn2nnc(-c3ccccc3Cl)n2)cc1 5282204 YKEZIOFWDDIMSS-UHFFFAOYSA-N 352.785 2.698 30 40 FFEB COc1cc(C#N)cc(Cl)c1OC(=O)CCNC(=O)Cc1ccccc1 21419416 NFPUMIAWNHTUHO-UHFFFAOYSA-N 372.808 2.875 30 40 FFEB C[C@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)Nc1ccc(N(C)C)cc1 12609611 OAMFPWANUJENEW-NSHDSACASA-N 366.450 2.592 30 40 FFEB CCn1c(SCC(=O)NC2(C#N)CCCC2)nc2ccsc2c1=O 27826450 CUQJEXSLBWTHEG-UHFFFAOYSA-N 362.480 2.523 30 40 FFEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccco1 5576849 FZYZWJLFABDXRG-IBOXJLQUSA-N 374.824 2.916 30 40 FFEB Cn1cccc1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1 7814356 OKQAFUHGWICJTB-UHFFFAOYSA-N 374.466 2.528 30 40 FFEB O=C1NN=C(c2ccc(Cl)cc2)/C(=N\Nc2ccc(Cl)cc2)C1=O 15188286 MYWOQVLYALHXEO-KGENOOAVSA-N 361.188 2.865 30 40 FFEB COC(=O)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccc(F)cc1 40158702 CKFFWMHYIDMRPI-FZKQIMNGSA-N 370.380 2.885 30 40 FFEB CCN(c1ccc(NC(=O)CSc2ncc(C#N)c(N)n2)cc1)C(C)C 22031178 SMQPVFPDAMWMBY-UHFFFAOYSA-N 370.482 2.896 30 40 FFEB Cc1c(C#N)c(NC(=O)CSc2nnc[nH]2)n(Cc2ccccc2)c1C 12758003 ZHKDUSBMERNXLU-UHFFFAOYSA-N 366.450 2.874 30 40 FFEB CC(C)n1cc(C(=O)c2cc(Br)ccc2O)cc(C#N)c1=O 3350573 ZLIGTAFIZOMOKC-UHFFFAOYSA-N 361.195 3.000 30 40 FFEB C=CCn1c(S[C@H](C)C(=O)OC)nc2sc3c(c2c1=O)CCC3 6111622 WQFJTXNYRILLBF-SECBINFHSA-N 350.465 2.786 30 40 FFEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nc2ccccc2c(=O)n1C1CC1 7860391 NSXMIRZJRNHNCR-LJQANCHMSA-N 370.478 2.878 30 40 FFEB N#Cc1ccccc1COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 8560234 ASDRBWXDOIZMPZ-UHFFFAOYSA-N 351.330 2.912 30 40 FFEB C#CCOC(=O)c1cccc(-c2nn3c(C(F)(F)F)nnc3s2)c1 73634529 DNQGIBDHRHVVRR-UHFFFAOYSA-N 352.297 2.662 30 40 FFEB CN(CC#CCNC(=O)COc1ccc(Cl)cc1)Cc1ccccc1 75165127 YRWNOHNKZLJBOF-UHFFFAOYSA-N 356.853 2.970 30 40 FFEB COC1(c2nc(CC(F)(F)F)no2)CCN([C@@H]2CC[C@@H](C#N)C2)CC1 328831023 KTXCIWZVCFXNIO-VXGBXAGGSA-N 358.364 2.804 30 40 FFEB N#Cc1cc(=NCC2(c3cccc(Br)c3)CCOCC2)[nH]cn1 578715990 GHKZLVZSZWBKNM-UHFFFAOYSA-N 373.254 2.693 30 40 FFEB COc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1O 6636039 OCNYIUKANFTNFS-ONNFQVAWSA-N 361.419 2.547 30 40 FFEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)o2)cc1 104200656 BUINGMMZDZOTBR-SELCWUDQSA-N 368.433 2.880 30 40 FFEB CCOC(=O)C/C(=N/Nc1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-])OCC 100988600 XIJITWZSRJQFLO-VBKFSLOCSA-N 374.737 2.872 30 40 FFEB C=CCN1C(=O)NC(=O)/C(=C(\C)Nc2cccc(C(F)(F)F)c2)C1=O 5624724 BIICZXKFJNFXQM-XFXZXTDPSA-N 353.300 2.656 30 40 FFEB COCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@H](C)C1 4901868 CITRNLJPNUUQSL-LSDHHAIUSA-N 368.437 2.663 30 40 FFEB C[C@H](c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)c1cccc(C#N)c1 7699478 NXFHZZGGKTWSPG-CQSZACIVSA-N 367.434 2.521 30 40 FFEB C#CCNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 8746139 BPMPPBAKROVCHV-UHFFFAOYSA-N 355.316 2.579 30 40 FFEB CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(OCC#N)cc2)C1=O 409354650 ABAXMNHOESBZKP-PTNGSMBKSA-N 374.418 2.969 30 40 FFEB COC[C@]1(C#N)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccccc1 242548275 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CVQLLVHNWGYFBD-UHFFFAOYSA-N 364.379 2.800 30 40 FFEB O=C1CSCN1C/C(O)=N/c1nc(-c2cccc3ccccc23)n[nH]1 58167525 PHOJQZQHIMVMMC-UHFFFAOYSA-N 353.407 2.746 30 40 FFEB Cc1nn2c(=O)cc(CSc3nc(C)c(C)c(C)c3C#N)nc2s1 58184774 OIWRWYAHSIRIKX-UHFFFAOYSA-N 357.464 2.944 30 40 FFEB COc1ccc([C@@H]2CCCCCN2S(=O)(=O)N(C)CCC#N)cc1 27964520 GAUVAQDJKQSGBZ-KRWDZBQOSA-N 351.472 2.703 30 40 FFEB N#Cc1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1 23655148 RDJHKSPLINQXKT-UHFFFAOYSA-N 369.446 2.985 30 40 FFEB COC(=O)/C(=N/Nc1ccccc1[N+](=O)[O-])N1CCCc2ccccc21 5023033 XUDXVHHFTQNWDL-JZJYNLBNSA-N 354.366 2.946 30 40 FFEB O=C(C[C@@H]1S/C(=N\Cc2ccccc2)NC1=O)Nc1ccccc1F 6344254 OQRNWPKYBDQVAF-HNNXBMFYSA-N 357.410 2.942 30 40 FFEB O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1N=Cc1cc([N+](=O)[O-])ccc1Cl 408918137 GNGLISLAPJLWTP-XMDOAZLISA-N 371.780 2.635 30 40 FFEB C#CCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC 408944785 VDXICFVBMMVNNX-WQRHYEAKSA-N 370.321 2.970 30 40 FFEB C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)NC1(C#N)CCCCC1 6384129 ALCAFIQYZUNVNV-AWEZNQCLSA-N 353.422 2.985 30 40 FFEB CCn1cc([C@@H]2OCCC[C@H]2C(=O)NCc2ccc(C#N)c(F)c2)cn1 591221988 PMXPPUAPWYMDTM-AEFFLSMTSA-N 356.401 2.698 30 40 FFEB N#Cc1ccc(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)nc1 1888897814 AFTZCTKWZPDAAD-UHFFFAOYSA-N 363.396 2.719 30 40 FFEB Cc1ccc(S(=O)(=O)N(C)C)cc1N/C(S)=N\Cc1ccco1 13637408 HLIJKXVZJWEDPZ-UHFFFAOYSA-N 353.469 2.736 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(C)o1 13123928 WELQVDODJWBSAB-QGZVFWFLSA-N 371.389 2.821 30 40 FFEB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)CO)cc1 225653805 UXFDVQWDMPUCPL-ZCNNSNEGSA-N 355.459 2.999 30 40 FFEB Cc1cc(C(F)(F)F)nc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1 544409944 UHQBWFWFBKVXSD-UHFFFAOYSA-N 361.371 2.998 30 40 FFEB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(c2ccc(Cl)c(C#N)n2)C1 548662179 VRYLBCKHTUSOSK-INIZCTEOSA-N 361.858 2.613 30 40 FFEB C=CCOc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1 101294793 YHJBVLSWZJUAOT-FUHWJXTLSA-N 366.348 2.683 30 40 FFEB COc1cc(OC)c([C@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)cc1OC 12348480 LKQPLNWTBFDSKP-HNNXBMFYSA-N 371.393 2.706 30 40 FFEB CC(/C=C\c1ccc([N+](=O)[O-])o1)=N\N1C[C@H](CN2CCCCC2)OC1=O 104331410 XPVPXZXZCUMYNI-IRIYSUAMSA-N 362.386 2.884 30 40 FFEB N#CCCn1cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c2ccccc21 4404778 KXXRFDMEKXWPDP-UHFFFAOYSA-N 364.405 2.602 30 40 FFEB C=CCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C(C)=O)cc1 14095341 RUTAXHUROCTGJJ-UHFFFAOYSA-N 372.446 2.705 30 40 FFEB CCN(CC)c1ccc(/C=N/Nc2cc(C)nc(N3CCOCC3)n2)cc1 4819904 QFJYKFSQMJCCET-RCCKNPSSSA-N 368.485 2.914 30 40 FFEB Cc1ccc2nc(CSCC(=O)Nc3ccc(C#N)cc3)cc(=O)n2c1 7145258 YATVIXIKKPIARZ-UHFFFAOYSA-N 364.430 2.747 30 40 FFEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2cccc(O)c2)cc1 19138371 UONFLIQGIMNBPK-UGSOOPFHSA-N 367.401 2.660 30 40 FFEB COc1ccc(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1OC(F)F 95948153 HPXQXNHRHPCAPL-CQSZACIVSA-N 367.396 2.603 30 40 FFEB C=CCn1c(=S)n(CN2CCN(c3cnccn3)CC2)c2ccccc21 26664954 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100235398 LEIOANWTOIEFFT-UHFFFAOYSA-N 368.382 2.636 30 40 FFEB N#CCN1CCC(CNC(=O)Nc2nc(-c3cccnc3)cs2)CC1 84425228 RKALEUBNWVCKKE-UHFFFAOYSA-N 356.455 2.562 30 40 FFEB CC(C)C[C@H](C(=O)N[C@@](C)(C#N)C1CC1)N1C(=O)c2ccccc2C1=O 9515540 RATJCJHGKNFCQW-UZLBHIALSA-N 353.422 2.506 30 40 FFEB COC(=O)C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(C)cc1 24490387 DGSYOFYELHNBFW-GOSISDBHSA-N 352.390 2.666 30 40 FFEB N#Cc1cccc(N[C@@H]2CO[C@]3(CCN(C(=O)c4ccsc4)C3)C2)n1 96072691 OKOUFMSWIWUTIO-MAUKXSAKSA-N 354.435 2.500 30 40 FFEB N#Cc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 23408977 DTQFTOSSBJJPDX-IBGZPJMESA-N 353.397 2.501 30 40 FFEB CN1CC[C@H](C(=O)[C@H](C#N)c2ncc(C(F)(F)F)cc2Cl)CC1=O 41549648 ZZRIZAHXUDQBPK-WCBMZHEXSA-N 359.735 2.798 30 40 FFEB O=C1Nc2cc3c(cc2/C1=N\NCc1ccccc1Cl)OCCCO3 57463484 KDFOQHYAWBSMID-UHFFFAOYSA-N 357.797 2.947 30 40 FFEB COc1ccc(S(=O)(=O)/N=C(\O)COc2ccc3c(c2)CCC3)cc1 48580840 WRYHLAPTBSHBRP-UHFFFAOYSA-N 361.419 2.908 30 40 FFEB C=CCn1c(SCc2ccccc2C#N)nnc1[C@@H]1CCS(=O)(=O)C1 8745684 MCBGYARFBJMYLS-OAHLLOKOSA-N 374.491 2.530 30 40 FFEB COc1ccc(/C=C\c2c(C(=O)O)nn(-c3ccccc3)c(=O)c2C#N)cc1 409198253 AXUYGGSVVCXAEE-XFXZXTDPSA-N 373.368 2.981 30 40 FFEB C=CCOc1c(Cl)cc(/C=C2/C(=O)N(C)C(=S)N2C)cc1OC 409043012 YVWWHQICSASIOP-WQLSENKSSA-N 352.843 2.943 30 40 FFEB CC1(C)CC(=O)[C@@H]2[C@H](C1)O[C@H](N)[C@H](C#N)[C@H]2c1cnn(C2CCCC2)c1 408717928 SLOJVWAUJOWOGN-QTUASDBPSA-N 356.470 2.910 30 40 FFEB CN(C)c1ccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 408743030 YRVGRBMTXQXQBI-DDLUMYACSA-N 366.446 2.519 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1/N=C/c1ccc(Br)cc1)[C@@H]1C[C@H]31 222346406 URPZHFWDRVPDSQ-VRDRZIRSSA-N 371.234 2.836 30 40 FFEB COC(=O)[C@]1(C)CCC[C@]2(C)C3=CC(=O)[C@]4(C(C)C)O[C@@H]4[C@]3(O)CC[C@H]21 33935260 ABKTWBMMVOBXFC-JNPGQTHHSA-N 362.466 2.800 30 40 FFEB biogenic N#Cc1ccc(N2CCN(C(=O)Nc3ccnc(F)c3F)CC2)c(F)c1 1219527935 APORAMBXTLFLLC-UHFFFAOYSA-N 361.327 2.725 30 40 FFEB Cc1ccc2[nH]c(O)c(/C=N/NC(=S)Nc3ccccc3)c(=O)c2c1 6025361 AMYRBZDFKPOOSR-VXLYETTFSA-N 352.419 2.863 30 40 FFEB COC(=O)COc1ccc(/C=C2\Oc3cc(OC)ccc3C2=O)cc1OC 13653566 ZXQZSACLJUQAKW-NVMNQCDNSA-N 370.357 2.872 30 40 FFEB biogenic Cc1cccc(C)c1N1/C(=N/C(=O)C(C)C)S[C@H]2CS(=O)(=O)C[C@H]21 100937933 CTIYBHNXYCNETR-YQTDRKPDSA-N 366.508 2.561 30 40 FFEB COc1cccc(OC)c1OC[C@@H](O)CNc1c(F)cc(C#N)cc1F 58197178 GDAXQZJRHRMBPI-LBPRGKRZSA-N 364.348 2.705 30 40 FFEB Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1C/C(O)=N/c1ncn[nH]1 48235282 DNXXZHIRKVPCMF-UHFFFAOYSA-N 365.319 2.852 30 40 FFEB COc1cccc(/C=N/c2cnn(C)c2C(=O)NCc2ccco2)c1OC 2798179 LPSNCJXGNYWDDQ-KEBDBYFISA-N 368.393 2.711 30 40 FFEB N#Cc1ccc(OCCN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1 14200309 WGPUJTARVGCKSV-IBGZPJMESA-N 374.400 2.581 30 40 FFEB CCOC(=O)[C@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 218366101 LFFVDKQMSSURFX-LNLFQRSKSA-N 373.405 2.838 30 40 FFEB C=CCSc1nnc(NS(=O)(=O)c2cc(OC)ccc2OC)s1 223918079 QUORYYGCCZZYAE-UHFFFAOYSA-N 373.481 2.634 30 40 FFEB O=c1c2c3c(sc2ncn1/N=C/c1ccc(O)c([N+](=O)[O-])c1)CCCC3 1085936 YPJWYDUOUIEFQA-UFWORHAWSA-N 370.390 2.833 30 40 FFEB C[S@](=O)[C@H]1CCCC[C@]1(O)CSc1nc2c(cc1C#N)CCCC2 5353543 FWTFALTUGIYPJQ-READRUSDSA-N 364.536 2.976 30 40 FFEB Cc1ccc2[nH]c3c(=O)n(/N=C/c4ccc([N+](=O)[O-])cc4)c(O)nc3c2c1 17028738 CKYDLLHKZYOOIJ-DJKKODMXSA-N 363.333 2.682 30 40 FFEB O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1ccc(F)cc1 34863281 PTGYDMNOOLRKEC-UHFFFAOYSA-N 361.398 2.549 30 40 FFEB COc1ccc(-c2nnc(SCC(=O)N(C)CCC#N)n2C(C)C)cc1 3278624 JCXPDUHRILZFBQ-UHFFFAOYSA-N 373.482 2.999 30 40 FFEB COc1ccc(CCOC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1 48235945 QAVHHIWEJUKWSJ-UHFFFAOYSA-N 365.433 2.964 30 40 FFEB CCOc1ccc(/C=N/OCc2cc(=O)n3ccc(C)cc3n2)cc1OC 28775112 HGOFXDLDNLSVKI-CIAFOILYSA-N 367.405 2.961 30 40 FFEB Cc1ccccc1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 13022952 VBKBJAVQASIWIY-UHFFFAOYSA-N 357.435 2.718 30 40 FFEB CC(C)C(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 5266069 ZYKOEFYZHAJQSR-RGHHBTPQSA-N 372.899 2.597 30 40 FFEB CN(C)CCCSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2 6760644 NORIEPAZPVDMGE-UHFFFAOYSA-N 360.527 2.712 30 40 FFEB C=CCc1ccc(OCC(=O)NCc2ccc(C(=O)OC)cc2)c(OC)c1 9455158 WWHNRQKTSPQRDH-UHFFFAOYSA-N 369.417 2.906 30 40 FFEB Cc1ccc(C)c(N/N=C2\C(=O)N(C(N)=S)N=C2c2ccccc2)c1 5442622 BSIUMWSPPTXJAV-PGMHBOJBSA-N 351.435 2.561 30 40 FFEB C/C(=N\Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 4935141 MFQXOPZLTSALIL-RQZCQDPDSA-N 368.802 2.732 30 40 FFEB Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=N\N=C(N)N 33502158 GACQVSAJWTZGDM-JJFYIABZSA-N 352.373 2.719 30 40 FFEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc2c(c1)OCO2 24958163 CZBMGFONYDRICN-UHFFFAOYSA-N 363.377 2.518 30 40 FFEB N#CCc1ccc(OC[C@@H](O)Cn2cnc3ccc(Cl)cc3c2=O)cc1 14093050 GABJHGXONDUXIN-HNNXBMFYSA-N 369.808 2.556 30 40 FFEB N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)CC2)nc1 171742615 CQHGROSTFCOIAM-HZPDHXFCSA-N 368.387 2.684 30 40 FFEB COc1ccc(NC(C)=O)cc1NC(=O)COc1ccc(C#N)cc1OC 7017479 ZVMLJQMFELPKJB-UHFFFAOYSA-N 369.377 2.551 30 40 FFEB C=CCNS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)c1ccccc1 28206756 ZEOMOFDXSXCRHC-AWEZNQCLSA-N 356.447 2.742 30 40 FFEB COC(=O)c1cccc(S(=O)(=O)Oc2ccc(C#N)cc2Cl)c1 24361909 KSFPJLWBRLHVSI-UHFFFAOYSA-N 351.767 2.766 30 40 FFEB N#Cc1cccnc1-n1cc(NC(=O)N2CCC[C@@H]2[C@H]2CCCOC2)cn1 566186628 HSLYIFPWEKVIRP-DOTOQJQBSA-N 366.425 2.562 30 40 FFEB C#CCOc1cccc(CN2CCC3(CC2)OCCc2cnc(C)nc23)c1 12337917 YUXADRDUZHJVME-UHFFFAOYSA-N 363.461 2.861 30 40 FFEB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1/N=C/c1coc2ccc(Cl)cc2c1=O 5582966 SWRGUJZIXKHOAA-ZAOSAGQNSA-N 368.776 2.587 30 40 FFEB Cc1nc(N2CCCC2)cc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1 1889119442 KBEQRGIPOJWUPO-UHFFFAOYSA-N 362.481 2.579 30 40 FFEB NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(C(=O)O)cc1 3266591 LUNIEUWHBUIFNH-UHFFFAOYSA-N 351.387 2.711 30 40 FFEB Cc1ccc(C(=O)CCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)s1 48264022 UFOAUJHJZVLXNZ-UHFFFAOYSA-N 368.462 2.635 30 40 FFEB COc1ccc(/C=N/n2c(=O)[nH]c3sc4c(c3c2=O)CCCC4)cc1 4067311 LMNRKNQYERXEOX-VXLYETTFSA-N 355.419 2.521 30 40 FFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@H]4CCCCNC4=O)[C@H]3C[C@H]12 4028700 FNZXGPROFSMFFW-TXRDYQHVSA-N 360.498 2.559 30 40 FFEB biogenic COc1cc(OC)c([N+](=O)[O-])cc1/C=N/Nc1nc2ccccc2n1C 408658394 OBHDMNXOXXFZID-VCHYOVAHSA-N 355.354 2.945 30 40 FFEB C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(c2nnc3ccccn23)CC1 67443025 AKFJMOOKHHWFHG-HNNXBMFYSA-N 374.448 2.808 30 40 FFEB Cc1cc(C)n(CC(=O)Nc2cccc(Br)c2)c(=O)c1C#N 409412720 ZLJFADPDYIIBCD-UHFFFAOYSA-N 360.211 2.738 30 40 FFEB C=CCN1c2ccc(C(=O)NC3CC3)cc2-c2ccccc2S1(=O)=O 33271923 HWWUFDVCESZXGT-UHFFFAOYSA-N 354.431 2.941 30 40 FFEB C=CCN1CCC[C@]12CCCN(S(=O)(=O)c1ccc(OC)cc1)C2 96214827 BGUGOLNNWJYQPQ-GOSISDBHSA-N 350.484 2.500 30 40 FFEB Cc1c(C#N)c(NC(=O)CN2CCO[C@H](C)C2)n(-c2ccccc2)c1C 24045158 SDWFDHPWIGVCOK-CQSZACIVSA-N 352.438 2.625 30 40 FFEB COC(=O)c1ccc(/C=N/O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 20858434 CPFLEFQQABDLOY-ZGXHQARYSA-N 371.349 2.759 30 40 FFEB CCOC(=O)c1ccc(OC[C@@H](O)CN(CCC#N)Cc2ccco2)cc1 32682411 WVHCAOZWVOAPQK-KRWDZBQOSA-N 372.421 2.612 30 40 FFEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccc(OC)cc1 103931694 HRFOBQXSAQSZAR-GROYHEBESA-N 371.389 2.746 30 40 FFEB C=CCn1c(SCCCS(=O)(=O)C(C)C)nc2sccc2c1=O 79102798 XPPKZYNIFKBNKX-UHFFFAOYSA-N 372.537 2.949 30 40 FFEB N#Cc1ccsc1NC(=O)CSc1nnc(N2CCCC2)n1C1CC1 8726604 SVBDXMBRAPHIEY-UHFFFAOYSA-N 374.495 2.877 30 40 FFEB COCCCNC(=S)N/N=C1\C(=O)Nc2ccc(-c3ccccc3)cc21 43925959 CFZXSFRUWUGXKM-UHFFFAOYSA-N 368.462 2.510 30 40 FFEB COc1cc(C#N)ccc1O[C@@H](C(=O)N1CCOCC1)c1ccccc1 6847352 SBMAJHRNQQNBEE-LJQANCHMSA-N 352.390 2.546 30 40 FFEB C#CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c1 408940206 UOZNWOOHZFAPPY-AQTBWJFISA-N 374.396 2.982 30 40 FFEB C[C@H]1CN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@@H]4C[C@H]23)C[C@@H](C)O1 35361379 ZHQRYBIJOKTXQH-OCBTYMEDSA-N 363.498 2.623 30 40 FFEB N#Cc1cccc(N[C@H]2CO[C@@]3(CCN(C(=O)c4ccsc4)C3)C2)n1 96072692 OKOUFMSWIWUTIO-QAPCUYQASA-N 354.435 2.500 30 40 FFEB N#CCC1(CN2C(=O)N[C@@H](c3ccccc3OC(F)(F)F)C2=O)CC1 596249092 CLLRYYOVWHIXDG-LBPRGKRZSA-N 353.300 2.872 30 40 FFEB CCOC(=O)c1cc(C#N)c(SCC(=O)NCc2ccccc2)nc1C 7149836 CHASQDHQHMJKLR-UHFFFAOYSA-N 369.446 2.847 30 40 FFEB C=CCn1cnn(CN2CCC[C@@H]2c2nnc3n2CCCCC3)c1=S 32935381 HACAFLHTWFQPFU-CQSZACIVSA-N 359.503 2.713 30 40 FFEB COc1cccc([C@@H]2C3=C(Nc4[nH]c(N)nc(=O)c42)c2ccccc2C3=O)c1 6661968 NAPXHZUIGZFKLF-CQSZACIVSA-N 372.384 2.526 30 40 FFEB C=CCN(CC(=O)NCCC#N)Cc1cc(Br)ccc1F 58193271 FYKAJIOHKRPJAV-UHFFFAOYSA-N 354.223 2.606 30 40 FFEB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@@H]1/C=N/c1ccc(O)cc1 408740082 DCGSDOIRZUHIGU-MRGVZLDZSA-N 373.821 2.812 30 40 FFEB N#CCc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 222580513 JYUIWLSJJXKIOF-UHFFFAOYSA-N 369.446 2.935 30 40 FFEB Cc1cc(C)n(-c2nncn2/N=C/c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 6189292 JDOWSRVJYOOIOM-DJKKODMXSA-N 353.386 2.994 30 40 FFEB CC(C)(C)n1nc(C(=O)OCC(=O)NC2(C#N)CCCC2)cc1C1CC1 51700725 RMJDWAKDZFCFNP-UHFFFAOYSA-N 358.442 2.625 30 40 FFEB C[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 23732421 CBLVPJDXPSGKBJ-INIZCTEOSA-N 355.463 2.626 30 40 FFEB N#CCc1ccc(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)cc1 6850710 IYWRWJIQAWLGMF-UHFFFAOYSA-N 358.357 2.847 30 40 FFEB COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1[N+](=O)[O-] 1310966 ORGMGHFJVYOATB-AWEZNQCLSA-N 372.377 2.695 30 40 FFEB N#C[C@H](COC(=O)[C@H]1CCCN(c2ncccn2)C1)Cc1ccc(F)cc1 108069080 BRAWFTFGYSVNOJ-SJORKVTESA-N 368.412 2.758 30 40 FFEB C=CCOc1ccc(C(=O)Nc2nnc(S(=O)(=O)CCC)s2)cc1 9184577 OPKRQQFQSDIELZ-UHFFFAOYSA-N 367.452 2.539 30 40 FFEB Cc1cc(/C=N/Nc2ncnc(N)c2[N+](=O)[O-])c(C)n1-c1ccccc1 5447292 IDGMVEGBYYRCQP-ZVBGSRNCSA-N 351.370 2.821 30 40 FFEB C=CCOc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCOCC2)cc1 15831835 NWPUEGHNDSABNT-SFHVURJKSA-N 356.422 2.648 30 40 FFEB CCc1ccc(/C=c2/s/c(=C(\C#N)C(=O)C(C)(C)C)n(CC)c2=O)cc1 96851453 CWJYYZSPLQVYFB-LNWFBJFBSA-N 368.502 2.610 30 40 FFEB C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 408933845 BRAMPZINMHBHCO-ATVHPVEESA-N 364.357 2.623 30 40 FFEB Cc1cccnc1OCC1CCN(S(=O)(=O)c2ccccc2C#N)CC1 1775969405 PHDWBMSAJYWSNZ-UHFFFAOYSA-N 371.462 2.741 30 40 FFEB CCN1CCC[C@H]1CNC(=O)c1ccc(Oc2cncc(C#N)c2)cc1 685937857 XINCDBQCYMBJGF-KRWDZBQOSA-N 350.422 2.960 30 40 FFEB N#Cc1ccc(N2CCC[C@H](COc3ncc(Br)cn3)C2)nc1 1775995904 MUOCPYSUBBFGSO-ZDUSSCGKSA-N 374.242 2.801 30 40 FFEB C=CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCC)[nH]c(=O)c32)cc1 4944409 PWKJEJFMDHABIA-ZDUSSCGKSA-N 357.435 2.921 30 40 FFEB C=CCNC(=O)CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 8267383 BPTYOJVZOLWRPE-MRXNPFEDSA-N 372.490 2.961 30 40 FFEB COc1ccc(CN2CC[C@]3(C[C@@H](Nc4cccc(C#N)n4)CO3)C2)cc1 107728721 HQHRUAGYZLHBFA-NQIIRXRSSA-N 364.449 2.807 30 40 FFEB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C#N)c2)c1 26529442 FUTGUIDOJXYRCN-UHFFFAOYSA-N 350.783 2.799 30 40 FFEB COC(=O)/C(C(C)=O)=C1\N=C(NC(=O)c2ccc(C)cc2)c2ccccc21 1889099 IBVRITIXAFLRPT-ZCXUNETKSA-N 362.385 2.658 30 40 FFEB C=CCn1cnnc1S[C@@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C 7634184 LRTGHUHFHZPLKC-LBPRGKRZSA-N 371.466 2.709 30 40 FFEB C=CCOc1cc(Br)c(/C=C2/NC(=O)N(C)C2=O)cc1OC 409189798 SVNKSAROGBGDAE-IZZDOVSWSA-N 367.199 2.545 30 40 FFEB CC(=O)N1CCC(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)CC1 102147020 MYKLMXSAAHFOBT-MRXNPFEDSA-N 351.406 2.626 30 40 FFEB N#Cc1cccc(OCC(=O)N2CCCN(c3ccccc3C#N)CC2)c1 53212182 YJDYBCFQYIJOCJ-UHFFFAOYSA-N 360.417 2.548 30 40 FFEB CCOc1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cn1 53212184 LVAVELYAEJCDKC-UHFFFAOYSA-N 350.422 2.704 30 40 FFEB COc1cc(C(=O)N(C)C2(C#N)CCC2)cc(OC)c1Br 58405528 CAUBSIHAGARUGK-UHFFFAOYSA-N 353.216 2.985 30 40 FFEB C=CCn1c(C)cc(C(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c1C 2621196 GBAHMQRMYXOREA-UHFFFAOYSA-N 366.377 2.792 30 40 FFEB CCOc1ccccc1/C(O)=N/S(=O)(=O)c1ccc(NC(C)=O)cc1 46927144 JRKCLCWENXBEJX-UHFFFAOYSA-N 362.407 2.737 30 40 FFEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1F 5445201 DUVZXMJZBYTZER-SELCWUDQSA-N 368.408 2.809 30 40 FFEB COc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccccc3Cl)C2=O)c1 408528416 BEHHKURUZWFYST-CYBMUJFWSA-N 371.780 2.950 30 40 FFEB C=CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224824316 HOQJMRGIJXQUOQ-UHFFFAOYSA-N 361.419 2.848 30 40 FFEB CCCN1CC(=O)C(c2nc(-c3ccc(OC)c(OC)c3)cs2)=C1N 13655614 LJXBHORMEMAUMY-UHFFFAOYSA-N 359.451 2.749 30 40 FFEB C=CCN1CCO[C@H]2CN(C(=O)c3cc(OC)ccc3Cl)CC[C@@H]2C1 1565550616 CPKGCQPJGICPQU-KDOFPFPSSA-N 364.873 2.698 30 40 FFEB O=C(ON1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)C1CC1 100913530 XSDIOOVZYIOZGZ-YHFFBGSDSA-N 359.381 2.747 30 40 FFEB CCOc1ccc(NC(=O)CN(C)c2ncccc2C#N)cc1OCC 24107100 NTWLSYMPYAFUKZ-UHFFFAOYSA-N 354.410 2.826 30 40 FFEB COc1cc(/C=N/c2ccc(C(=O)O)c(O)c2)ccc1O[C@@H](C)C(=O)O 9323798 BXVYVLQFVXWYLI-XPAGJJBOSA-N 359.334 2.702 30 40 FFEB CN(C)C(=O)COc1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 58179746 GPJIIUREERUEGP-DHZHZOJOSA-N 354.362 2.958 30 40 FFEB Cc1nnc(SCC(=O)Nc2c(C#N)cnn2-c2ccccc2)s1 48302783 TYGOOILMRCKOQR-UHFFFAOYSA-N 356.436 2.635 30 40 FFEB CC(C)CN1C[C@H](C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1=O 29782074 AWSOHJNRMOJEIN-OAHLLOKOSA-N 366.383 2.678 30 40 FFEB C=CCNC(=O)COC(=O)c1ccccc1C(=O)N(C)C1CCCCC1 6053655 ALJUZTUGYPDPCI-UHFFFAOYSA-N 358.438 2.550 30 40 FFEB Fc1cccc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c1 4478000 WCZDEWHCMMNLLN-DEDYPNTBSA-N 355.421 2.657 30 40 FFEB Cc1nn(C)cc1/C=N/NC(=S)Nc1ccc(Br)cc1 6572075 RNTWKXVKYNWWIK-VIZOYTHASA-N 352.261 2.812 30 40 FFEB COC(=O)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 5956770 LFPLQTXYFGEAIH-IDUWFGFVSA-N 354.314 2.583 30 40 FFEB biogenic COc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2ccc(C)cc2)C1=O 408530242 DPLPVTHLWJIJPJ-AWEZNQCLSA-N 351.362 2.605 30 40 FFEB Cc1oc(-c2nc(C#N)c(NC(C)C)o2)cc1S(=O)(=O)N1CCCC1 40266591 PHTTUQBDHPMNIM-UHFFFAOYSA-N 364.427 2.720 30 40 FFEB CC(=O)C1=C(O)C(=O)N(CCN(C(C)C)C(C)C)[C@H]1c1ccc(O)cc1 19923229 SUXDPMDFCQHABG-SFHVURJKSA-N 360.454 2.795 30 40 FFEB COC(=O)[C@H](c1ccc([N+](=O)[O-])c(C#N)c1)c1ccc(OC)c(OC)c1 169800218 UYKOXWVQKGQKJB-QGZVFWFLSA-N 356.334 2.789 30 40 FFEB C(#Cc1ccc(C(N2CCOCC2)N2CCOCC2)cc1)c1ccccc1 19324943 BBTWNKXINIEMRQ-UHFFFAOYSA-N 362.473 2.749 30 40 FFEB CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1 4119696 ZULKGKSPSXEPNF-QSYFUGGGSA-N 369.343 2.693 30 40 FFEB N#Cc1nccnc1N1CCc2nc3ncc(Br)cc3cc2C1 2298130041 BXBPRYIPQJFPSL-UHFFFAOYSA-N 367.210 2.617 30 40 FFEB Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccco2)s1 13722232 JZEOUSICITZRLB-LBPRGKRZSA-N 357.347 2.815 30 40 FFEB N/C(=N/OCC(=O)N1CCCCC1)c1ccc(OCc2ccccc2)cc1 48287750 DEYSIDJCAWEYQE-UHFFFAOYSA-N 367.449 2.915 30 40 FFEB C=CCN(C(=O)Cc1coc2c(C)c(C)ccc12)[C@H]1CCS(=O)(=O)C1 58268181 PBMFBYQUHANVRL-INIZCTEOSA-N 361.463 2.794 30 40 FFEB Cc1ccccc1/C=N/N1CC(=O)N2Cc3[nH]c4ccccc4c3C[C@H]2C1=O 4046819 XTTFYEVDEAQFFR-BLXMRYOQSA-N 372.428 2.606 30 40 FFEB biogenic C#CCOc1ccc(N(C)C(=O)c2sc(-c3nc[nH]n3)nc2C)cc1 67305728 NEBRABIVBHXULO-UHFFFAOYSA-N 353.407 2.525 30 40 FFEB C=CCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccccc1O 408599632 IMALVUFFKRNTJE-UHFFFAOYSA-N 370.434 2.838 30 40 FFEB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1coc2ccc(Cl)cc2c1=O 257346805 SWRGUJZIXKHOAA-SPZQHQHISA-N 368.776 2.587 30 40 FFEB N#Cc1cnc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)c(Cl)c1 1166762630 BHYAANYDRCGNIY-UHFFFAOYSA-N 368.750 2.742 30 40 FFEB COC(=O)[C@]1(C)CCC[C@@]2(C)C3=C[C@@H](O)[C@@]4(C(C)C)O[C@H]4[C@@]3(O)CC[C@@H]12 5707097 PLTJWYBYCUOFOL-GATQAHENSA-N 364.482 2.592 30 40 FFEB C=CCN(c1ccc(C(=O)N2CCc3ccccc3C2)cc1)S(C)(=O)=O 14154402 GDMQBSBVOFYXCR-UHFFFAOYSA-N 370.474 2.837 30 40 FFEB O=C(c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1)N1CCC(O)CC1 12224563 YZRDQQOJFCMARD-UHFFFAOYSA-N 371.440 2.869 30 40 FFEB C=CCOc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cc1OC 17860799 NTLBCWOCMDBANC-UHFFFAOYSA-N 355.390 2.961 30 40 FFEB N#CC1(C(=O)N2CCC[C@]3(COCCN(c4nccs4)C3)C2)CCCC1 1565549470 XPJPITKOKGYBAA-SFHVURJKSA-N 374.510 2.672 30 40 FFEB N#Cc1ccc(N2CC[C@@H](N3CCO[C@H](c4ccc(F)cc4)C3)C2=O)cc1 25949458 YLOSCGVJNURRFI-UXHICEINSA-N 365.408 2.876 30 40 FFEB C=CCn1c(SCC(=O)N2CCC[C@H](C)C2)nc2ccccc2c1=O 3249130 BZPFDROUUFDLNI-AWEZNQCLSA-N 357.479 2.933 30 40 FFEB C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCC(=O)NC1 58277569 BAOYCBLFYUVAPK-LLVKDONJSA-N 369.234 2.629 30 40 FFEB COc1ccc2c(ccn2C/C(O)=N/S(=O)(=O)c2ccc(C#N)cc2)c1 48504095 VTBBFCMUHRYQDM-UHFFFAOYSA-N 369.402 2.867 30 40 FFEB COc1cc(/C=N/O[C@@H](C)C(=O)NCC(F)(F)F)ccc1OC(F)F 13020467 RUONOOXWUABSAQ-PGJMODCWSA-N 370.274 2.714 30 40 FFEB CCOc1cc2c(cc1CNC(=O)COc1ccc(C#N)cc1)O[C@@H](C)C2 5406768 HRKIIHMPDNVPDK-AWEZNQCLSA-N 366.417 2.976 30 40 FFEB N#Cc1cnc(SCc2cc3c(cc2Br)OCO3)nc1N 7046826 ZASIDBVJEMKPBI-UHFFFAOYSA-N 365.212 2.714 30 40 FFEB CC(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(Cl)cc1Cl 19882050 OTUQWINDZHDOBY-AWEZNQCLSA-N 357.237 2.839 30 40 FFEB CC(=O)n1c(C)c(C=Nn2c(O)nc3ccccc3c2=O)c2ccccc21 409359449 OJRCWGPGWYCCNC-UHFFFAOYSA-N 360.373 2.908 30 40 FFEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F 32504637 OTGUYWADPVMQER-QJGXAYKQSA-N 370.471 2.617 30 40 FFEB C=CCSc1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 223127568 CZPZPZKFLPUEQV-UHFFFAOYSA-N 372.453 2.834 30 40 FFEB O=S(=O)(NCC#CCN1CCc2ccccc2C1)c1cccc(Cl)c1 77197677 MUDCZRSBJWWDCG-UHFFFAOYSA-N 374.893 2.680 30 40 FFEB CC1(C)OB(c2ccc(-c3ncn([C@H]4CCCCO4)n3)cc2)OC1(C)C 642882488 CQOWFWIYBQWCSE-MRXNPFEDSA-N 355.247 2.943 30 40 FFEB N#CC1(NC(=O)COC(=O)c2ccc(N3CCCCCC3)nc2)CCCC1 31511535 QORAQXCQLFJTQS-UHFFFAOYSA-N 370.453 2.571 30 40 FFEB Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1C 21573858 XZXBXGJMIRTZNQ-KSSFIOAISA-N 372.498 2.814 30 40 FFEB N#Cc1cn(C2CC2)c(=O)n(Cc2coc(-c3cccc(Cl)c3)n2)c1=O 42157084 JPJUOMQWEOKDOV-UHFFFAOYSA-N 368.780 2.573 30 40 FFEB N#CCCCN1C(=O)[C@](O)([C@@H]2CCc3ccccc3C2=O)c2ccccc21 2198280 SFBPWLLYUSEXOP-XMSQKQJNSA-N 360.413 2.970 30 40 FFEB COc1ccc(C(C)=O)cc1CN(c1cccc(C#N)c1)S(C)(=O)=O 12790674 YFNJTJNWNOLJRG-UHFFFAOYSA-N 358.419 2.736 30 40 FFEB N#Cc1cc([N+](=O)[O-])ccc1NC[C@H](c1ccccc1)N1CCOCC1 29525921 RFQXQMQMURVZIJ-LJQANCHMSA-N 352.394 2.952 30 40 FFEB O=S(=O)(Cc1ccccc1)/N=C(O)/C=C/c1ccc2c(c1)OCCO2 48595173 PNRCKUWPABETLQ-VQHVLOKHSA-N 359.403 2.958 30 40 FFEB CCNC(=S)N/N=C/c1cc(OC)c(OCC)cc1Br 409373790 VVUIYMBIIKTBOZ-LZYBPNLTSA-N 360.277 2.674 30 40 FFEB COc1cc(/C=N/OCc2ccc(C(N)=O)cc2)ccc1OC(F)F 25005186 HFTZGBQGKIJLHU-ZVBGSRNCSA-N 350.321 2.946 30 40 FFEB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1C=Nc1ccccc1Cl 408536150 PZIZOBCUWVGWRH-ASHKBJFXSA-N 359.813 2.926 30 40 FFEB Cc1nc(C(F)(F)F)ccc1/C(O)=N/S(=O)(=O)c1cccc(C#N)c1 84028751 AKCRMQDCPRTEFN-UHFFFAOYSA-N 369.324 2.974 30 40 FFEB COc1cc(/C=N/Cc2ccc(C(=O)O)cc2)ccc1O[C@H](C)C(=O)O 409013750 VBEPTEVEIDAPQP-ZICWZVMQSA-N 357.362 2.864 30 40 FFEB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)/N=C3/NCCS3)CCCC2)c1 73141650 BNJBAARHPKCPDK-UHFFFAOYSA-N 366.508 2.609 30 40 FFEB CC[C@H](c1ccccc1)N(CC(=O)OC)S(=O)(=O)c1cccc(C#N)c1 95445392 HAFKGUWHVSGDCE-GOSISDBHSA-N 372.446 2.873 30 40 FFEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1C 86053426 FSJBRAVKEVQARD-OJVXUPTESA-N 372.899 2.660 30 40 FFEB N#Cc1ccc(CN2C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C2=O)cc1 57991812 AFIGCJQOMWLXRP-QFIPXVFZSA-N 374.444 2.645 30 40 FFEB COc1ccc(/C=N/n2c(C)nnc(-c3ccccc3)c2=O)c(OC)c1 1439722 LDAKWWRODURSNJ-UDWIEESQSA-N 350.378 2.513 30 40 FFEB N#Cc1ccc(/C=C/C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 26059650 DZLOXNUGSIVCQV-ZHACJKMWSA-N 359.429 2.992 30 40 FFEB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2-n2ncc(C#N)c2N)c1 24578331 JPHWLUKUFYHJNE-UHFFFAOYSA-N 367.434 2.744 30 40 FFEB C=CCN(Cc1cccs1)C(=O)Cn1nnc(-c2cccc(F)c2)n1 7489324 LOVULYBIKKEVLW-UHFFFAOYSA-N 357.414 2.756 30 40 FFEB C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(CC=C)C2=O)cc1OCC 409127312 PLGWEIOUZIYFFO-GXDHUFHOSA-N 360.797 2.829 30 40 FFEB COc1ccc(/C(N)=N/O[C@H](C)C(=O)Nc2ccccc2F)cc1OC 32718814 KSFYOISLCZBCJY-LLVKDONJSA-N 361.373 2.507 30 40 FFEB COC(=O)c1cnn2c1NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccnc1 49551260 CPGQHJVPLZYMCY-INIZCTEOSA-N 352.394 2.723 30 40 FFEB C=CCN1C[C@@H]2CN(C(=O)c3cnoc3C)CC[C@]2(c2ccccc2)C1 96251770 LHFQJSWEJIARBD-WIYYLYMNSA-N 351.450 2.885 30 40 FFEB Cc1nc([C@H]2CCCN2/C(O)=N/CCc2nn(C)c3ccccc23)no1 330103260 GTJUEZJIKKNFBE-MRXNPFEDSA-N 354.414 2.558 30 40 FFEB C=CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccc3c(c1)OCO3)C2 96039675 VWKRNTXDXNMMSX-UYAOXDASSA-N 359.422 2.629 30 40 FFEB Cn1cnc(CN2CCC[C@@H]2c2cccc(N=c3[nH]cc(C#N)s3)n2)c1 585293491 ICNZGPKHEHTHLE-MRXNPFEDSA-N 365.466 2.646 30 40 FFEB COc1ccccc1-c1n[nH]c(/N=C(\O)CNC(=O)c2cccc(C)c2)n1 52778797 COFWVOOUJGMNOL-UHFFFAOYSA-N 365.393 2.807 30 40 FFEB COc1ccc(OC)c([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C)nn32)c1 22608111 WPOVEXVHUYARHD-MLCYQJTMSA-N 354.410 2.872 30 40 FFEB CC(C)CCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 21203497 NZMKMEAWPYGBSL-OAHLLOKOSA-N 365.499 2.823 30 40 FFEB C=C(C)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 9304572 HDTVNMLAKMRKNO-KBPBESRZSA-N 356.900 2.991 30 40 FFEB CCOc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)cc1OC 408728259 JEOITWJKOSYKMF-FPHLNOBYSA-N 354.406 2.625 30 40 FFEB COc1cc(OC)c([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CCC3)cc1OC 1429556 SEHBYCFCLQETAD-ZDUSSCGKSA-N 374.437 2.512 30 40 FFEB C=CC/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)S1 12583176 XZORQTGJOHBAMT-LLVKDONJSA-N 368.256 2.551 30 40 FFEB Cc1ccc(-n2nc(C#N)c(N3CCC(N4CCCCC4)CC3)n2)cc1 33428922 LNWCMYNSQQMJGP-UHFFFAOYSA-N 350.470 2.902 30 40 FFEB O=C1Nc2cc([N+](=O)[O-])ccc2N/C1=C/C(=O)c1cccc([N+](=O)[O-])c1 8651795 BIMBMWKDNPTBOR-RIYZIHGNSA-N 354.278 2.634 30 40 FFEB COC(=O)c1ccc(OC[C@@H](O)Cn2cc(/C=N/O)c3ccccc32)cc1 101147623 BCGAKVDDUXCCGD-CTJICSLTSA-N 368.389 2.676 30 40 FFEB C[C@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc(Cl)s1 69282580 RYYCXHXHSJJGGS-DTWKUNHWSA-N 353.849 2.631 30 40 FFEB O=C(OCC#CCSc1nnnn1-c1ccc(Cl)cc1)c1ccco1 8379375 KPXQPVXLZHXOCD-UHFFFAOYSA-N 374.809 2.861 30 40 FFEB C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=S)NCC 12654343 ROEQHJBMRJAGMW-UHFFFAOYSA-N 362.455 2.636 30 40 FFEB N#CC1(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)CCCC1 6087316 ZEWLQKUQUBYDPK-UHFFFAOYSA-N 365.220 2.656 30 40 FFEB C=CCSC(=N)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 1826317 JCJYIQNSWOLRIP-MKMNVTDBSA-N 359.205 2.840 30 40 FFEB Cc1cc(C(F)(F)F)nn1C/C(N)=N/OC(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2 101577112 NZAMPRBTRXBOGM-UTUOFQBUSA-N 358.364 2.852 30 40 FFEB N#Cc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(F)cc1 3290127 RBEGYKTXRGWHAU-INIZCTEOSA-N 352.350 2.679 30 40 FFEB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1 2623953 XNHZSULBIRJHOL-UHFFFAOYSA-N 357.435 2.841 30 40 FFEB O=C(C[C@@H]1S/C(=N/N=C2CCCCCC2)NC1=O)NCc1ccccc1 4689927 KIPQUFMXPNKMCW-INIZCTEOSA-N 372.494 2.991 30 40 FFEB C[C@@H](Oc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)O 39557404 ADFCMSJSODWJDS-IYPWXLATSA-N 374.309 2.801 30 40 FFEB COc1cc(/C=N/n2cnc3c([nH]c4ccc(F)cc43)c2=O)ccc1O 2425083 ZHQXFESGVRZSPH-ODCIPOBUSA-N 352.325 2.613 30 40 FFEB C=CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)C(C)C)ccc21 9167065 HABWZYHXCMEUMQ-UHFFFAOYSA-N 352.456 2.774 30 40 FFEB C/C(=N\C(=N)Nc1nc(C)c2ccc(C)cc2n1)c1c(O)ccoc1=O 100121422 SPOXWUIAMLTYIF-RGVLZGJSSA-N 351.366 2.761 30 40 FFEB CCOC(=O)c1sc(NC(=O)[C@@H]2COc3ccccc3O2)c(C#N)c1C 2659017 ARKXOBQGKDKGLE-AWEZNQCLSA-N 372.402 2.883 30 40 FFEB COC(=O)C1=C(C(=O)c2ccco2)[C@@H](c2ccccc2)N(C)C(=O)N1C 12900894 MUVRYXMDLDEKBG-OAHLLOKOSA-N 354.362 2.628 30 40 FFEB N#Cc1ccc(CN2CCCN(C(=O)CCc3ccc(O)cc3)CC2)cc1 96004278 ZRSOUQZKCACNDO-UHFFFAOYSA-N 363.461 2.931 30 40 FFEB COc1cc(/C=N/Nc2cn[nH]c(=O)n2)ccc1OCc1ccccc1C 4749618 AYSAXYYNWLTYBG-KEBDBYFISA-N 365.393 2.507 30 40 FFEB CN(C(=O)Cn1c(-c2ccc(F)cc2)ncc(C#N)c1=O)c1ccccc1 49006195 WVFAMUNHOZIIER-UHFFFAOYSA-N 362.364 2.584 30 40 FFEB C=CC(C)(C)c1[nH]c2ccccc2c1C[C@H]1NC(=O)[C@H]2CCCN2C1=O 13415185 KUGNSEAHJVSMAJ-IAGOWNOFSA-N 351.450 2.663 30 40 FFEB biogenic CC/N=C1/S[C@@H](CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])C(=O)N1CC 16809815 VZFTULQVARPGJQ-CMTMBAJVSA-N 364.427 2.572 30 40 FFEB C=CCN(CC(=O)Nc1cccc(S(C)(=O)=O)c1)Cc1cccs1 8923232 HTBQKULSAGSVSE-UHFFFAOYSA-N 364.492 2.778 30 40 FFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](C(F)(F)F)C1 10288249 FVKMFXJNYRBNBO-GFCCVEGCSA-N 355.360 2.597 30 40 FFEB COc1cc(/C=N/n2cnnc2)ccc1OCCOc1ccc(C)cc1 4182142 NFDRTGUAYQPGCR-WSDLNYQXSA-N 352.394 2.935 30 40 FFEB CCN(CC)c1ccc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)cc1 16678521 IVMVRPQZOIVTIP-LPYMAVHISA-N 372.448 2.745 30 40 FFEB C=CCNC(=O)[C@@H](C)Oc1nn(-c2ccccc2)cc1Br 227159080 IENBEJYIRXNHEJ-LLVKDONJSA-N 350.216 2.704 30 40 FFEB Cc1ccc(NC(=O)CN2CCN(Cc3ccc(C#N)cc3F)CC2)cc1 22836138 QHYDMZFDKZEUTR-UHFFFAOYSA-N 366.440 2.762 30 40 FFEB COc1cc2c(cc1OC)CN(CC(=O)Nc1sccc1C#N)CC2 3397940 SGUIOIPYKSQRSP-UHFFFAOYSA-N 357.435 2.634 30 40 FFEB CN(C)c1ccc(/C=N/c2cnn(C)c2C(=O)NCc2ccco2)cc1 2798381 XDSWPJRBOIMRIE-RGVLZGJSSA-N 351.410 2.760 30 40 FFEB C=CCn1c(CC)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 9328416 RGZKLYVEFKLQIH-UHFFFAOYSA-N 361.427 2.974 30 40 FFEB COc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cn3)CC2)cc1OC 85557006 MLIVUMNFDSCLLA-UHFFFAOYSA-N 367.405 2.654 30 40 FFEB C=CCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(C)C)cc1 575420405 HOBGZKLEZRTCEV-KRWDZBQOSA-N 371.524 2.564 30 40 FFEB N/C(=N/c1nc2c(c(=O)[nH]1)CCCC2)Nc1ccccc1C(F)(F)F 13634104 WJPCDYLTWRUTOZ-UHFFFAOYSA-N 351.332 2.726 30 40 FFEB Cc1cc(SCC(=O)N2CCCC2=O)n2c(nc3ccccc32)c1C#N 4269608 TXWVZKBWYMGVFT-UHFFFAOYSA-N 364.430 2.909 30 40 FFEB Cc1sc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)c(C#N)c1C 14596038 HOIJJHCOXXGLBR-BETUJISGSA-N 359.451 2.740 30 40 FFEB COc1cccc([C@@H]2C3=C(Nc4[nH]nc(O)c42)c2ccccc2C3=O)c1O 18196268 FRNNYYGNBXSYKX-CYBMUJFWSA-N 361.357 2.995 30 40 FFEB Cc1cc(S(=O)(=O)Nc2ccc(CC#N)cc2)ccc1N1CCCC1=O 20453050 POJHEULDZIMSRL-UHFFFAOYSA-N 369.446 2.989 30 40 FFEB C#C[C@@](C)(CC)OC[C@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1 12421436 DJKCECRJBDPFIG-QUCCMNQESA-N 364.917 2.950 30 40 FFEB Cc1ccc(-n2nnnc2S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1C 21573856 XZXBXGJMIRTZNQ-RDTXWAMCSA-N 372.498 2.814 30 40 FFEB N#Cc1nc(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)[nH]c1C#N 58218256 PWCQGSASHPQGJE-MNOVXSKESA-N 356.183 2.658 30 40 FFEB CC(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(OCC#N)cc2)C1=O 106753668 XARGAYPPDOAYRJ-ZROIWOOFSA-N 360.391 2.577 30 40 FFEB C(=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)\c1ccccn1 3898546 JHOBSHRANAZBGA-RCCKNPSSSA-N 366.473 2.693 30 40 FFEB N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1 14190686 FKSIBRIRBQVKPA-OAQYLSRUSA-N 371.444 2.895 30 40 FFEB C=CCn1c(SCC(=O)Nc2nonc2C)nnc1-c1cccs1 4745336 FUWMYLAUPAEHDX-UHFFFAOYSA-N 362.440 2.615 30 40 FFEB C=C(C)CN(CC)C(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O 9882590 YOQNVCJTIQLRLZ-NRFANRHFSA-N 369.465 2.585 30 40 FFEB Cc1ccccc1OC[C@H](O)CN1CCN(c2ccc(C#N)cc2F)CC1 507164516 JWQWXSRTCJGQEG-GOSISDBHSA-N 369.440 2.568 30 40 FFEB CN1/C(=C2\C(=N)N(NC(=O)c3ccccc3)CC2=O)Sc2ccccc21 334157784 PPZVHAHOOPWOAR-XKAVZVGVSA-N 364.430 2.647 30 40 FFEB C=CCN(CC=C)[C@H](CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])C(C)C 24842368 RAHGBFLLDRVSQU-OAHLLOKOSA-N 371.441 2.713 30 40 FFEB CCOc1ccc(C2=C(C(C)=O)Sc3nnc(CC)n3N2C(C)=O)cc1 4518286 FKZJDGFPKVMHHX-UHFFFAOYSA-N 372.450 2.787 30 40 FFEB O=C(O/N=C1\CCS(=O)(=O)c2sccc21)c1c(F)cccc1F 1393086 VJFADQDUTNOAQI-GZTJUZNOSA-N 357.359 2.765 30 40 FFEB C[C@@H](C#N)CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 45851229 WZSSIELWEXXHOJ-AWEZNQCLSA-N 357.435 2.719 30 40 FFEB Cc1nn(CC(=O)N[C@H](C)c2cccc3ccccc23)c(=O)c(C#N)c1C 12864708 KCRGECMJLFPNGX-OAHLLOKOSA-N 360.417 2.762 30 40 FFEB COCCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 4476348 JUKNSVWQKFBTQX-MRXNPFEDSA-N 371.433 2.804 30 40 FFEB C=CCNC(=O)C[C@@H](C)CC(=O)N1CCN(c2cccc(Cl)c2)CC1 4678062 GFWLUZLIRJWCBX-OAHLLOKOSA-N 363.889 2.707 30 40 FFEB COc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2cccc(Cl)c2)C1=O 408537697 WRQAZTFVHCNBQY-CYBMUJFWSA-N 371.780 2.950 30 40 FFEB CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 218032471 CTHVNZYEIIDUDK-ZIFCJYIRSA-N 355.415 2.699 30 40 FFEB C=CCOc1ccccc1CN1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 12120704 XSTDRZIJCNPQIZ-UHFFFAOYSA-N 374.444 2.955 30 40 FFEB COCc1cc(C)n(CC(=O)Nc2ccc(C)c(Cl)c2)c(=O)c1C#N 810869 INBNNGXSMVZYFF-UHFFFAOYSA-N 359.813 2.775 30 40 FFEB Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2ccc(O)cc2O)c1 6080866 KIANHVZOFRBESP-UHFFFAOYSA-N 368.389 2.818 30 40 FFEB Cc1c(C#N)c(NC(=O)CN2CCO[C@H](C)C2)n(Cc2ccccc2)c1C 24014651 NDQMFZFCZTXUDB-OAHLLOKOSA-N 366.465 2.684 30 40 FFEB C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc(C(C)C)cc2)c1 58050767 DMQPABMHHOFRIE-UHFFFAOYSA-N 370.474 2.733 30 40 FFEB C=C(C)CN(CC)C(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 58216097 AOFFSPCPJXMSHS-QZTJIDSGSA-N 367.449 2.685 30 40 FFEB CCN(CC)S(=O)(=O)c1cccc(N/N=C2\SC(=N)N=C2C)c1 102971240 RHECLKBMSRKEAQ-QAVXEVKCSA-N 353.473 2.585 30 40 FFEB C[C@H]1CN(Cc2csc(NC(=O)c3ccc(C#N)cc3)n2)C[C@H](C)O1 12935500 KSGZFBQBFQSINM-STQMWFEESA-N 356.451 2.876 30 40 FFEB O=C1CCCC/C1=C\Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 13471446 UZLRUAWYBPPWPB-OUKQBFOZSA-N 358.423 2.716 30 40 FFEB C[C@@]1(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)CC1(Cl)Cl 5017825 BAGALNIWJCWTRJ-ZDUSSCGKSA-N 372.164 2.532 30 40 FFEB C[C@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)N(C)C1(C#N)CCCCC1 18435175 XKPIIPRPLPCANG-LBPRGKRZSA-N 368.466 2.573 30 40 FFEB O=C(COc1ccc(/C=N/n2cnnc2)cc1Cl)Nc1ccccc1F 409376129 UUGPBKWGOWUETI-GZIVZEMBSA-N 373.775 2.970 30 40 FFEB Cn1c2ccccc2c2nnc(N/N=C/c3cc([N+](=O)[O-])ccc3O)nc21 36075076 LDMMTHRTGLMHMH-GIJQJNRQSA-N 363.337 2.576 30 40 FFEB C#CCN(C)Cc1nc(C2(O)CCN(C(=O)CCCCC)CC2)cs1 225470724 MOVUJYPUFQGSDL-UHFFFAOYSA-N 363.527 2.598 30 40 FFEB biogenic,in-vitro C=CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225027616 MTMUWOJLBZSBGE-UHFFFAOYSA-N 362.363 2.705 30 40 FFEB Cc1onc(CC(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1C#N 331376254 DXYCLRISOVGDJY-MAUKXSAKSA-N 357.385 2.915 30 40 FFEB C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc(Cl)ccc2OC)c1 60208586 HLOROBSTFSAFGU-UHFFFAOYSA-N 356.809 2.723 30 40 FFEB C#CCN1C(=O)S/C(=C\c2cc(Br)cc(OC)c2O)C1=O 13940664 AQONLZHYLCBEQV-WDZFZDKYSA-N 368.208 2.833 30 40 FFEB N#Cc1ccsc1NC(=O)COC(=O)c1c[nH]nc1-c1ccc(F)cc1 9364553 OYMOIMYGAHRHFV-UHFFFAOYSA-N 370.365 2.944 30 40 FFEB C[C@@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc(Cl)s1 69282584 RYYCXHXHSJJGGS-RKDXNWHRSA-N 353.849 2.631 30 40 FFEB N#Cc1c(CCCNC(=O)c2ccccc2)nn(-c2ccc(F)cc2)c1N 31778751 FSBCJKADQZAXRE-UHFFFAOYSA-N 363.396 2.828 30 40 FFEB CC1(C)CN(C(=O)c2cnccc2C#N)C[C@@H](COc2ccccc2)O1 571813840 UDVWHXHVUGVHEH-KRWDZBQOSA-N 351.406 2.652 30 40 FFEB N#CCCN(CCC#N)C(=O)COC(=O)c1occc1-c1ccccc1 22866195 SOVRXEMQTPSVQU-UHFFFAOYSA-N 351.362 2.759 30 40 FFEB O=C1CSC(=S)N1/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 6970415 PNXBMZWKJGRQPR-REZTVBANSA-N 374.403 2.976 30 40 FFEB CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccccc1C#N 12984649 HSXBTZFCRKFPRD-UHFFFAOYSA-N 352.419 2.565 30 40 FFEB Cn1cnnc1SCC#CCOC(=O)c1ccc(Br)cc1 6480112 KNHYGOSNECWINV-UHFFFAOYSA-N 366.240 2.530 30 40 FFEB C=CCOc1c(Br)cc(CNCC(OC)OC)cc1OC 7986230 JHCUFKPOBNSGCH-UHFFFAOYSA-N 360.248 2.731 30 40 FFEB COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC#N)cc(OC)c1OC 2136762 DTQHIYZOPBPETJ-QKYXUNIQSA-N 360.454 2.904 30 40 FFEB biogenic N#Cc1ccc2nc(CO[C@H]3CN(C(=O)c4ccccc4)C[C@H]3F)[nH]c2c1 96112056 FPTKOIGLYUVOTG-QAPCUYQASA-N 364.380 2.814 30 40 FFEB biogenic,in-vitro Cn1cnc(CN2CCC[C@H]2c2cccc(N=c3[nH]cc(C#N)s3)n2)c1 585293490 ICNZGPKHEHTHLE-INIZCTEOSA-N 365.466 2.646 30 40 FFEB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1 2642286 KKBNCAGOPRGPAE-UHFFFAOYSA-N 363.464 2.903 30 40 FFEB CCNc1nc(NCC)nc(N/N=C(\C)c2ccc(OC)cc2OC)n1 24037664 HBDQPUZGJYJXDS-FOKLQQMPSA-N 359.434 2.589 30 40 FFEB COc1cccc([C@H]2C3=C(Nc4[nH]c(N)nc(=O)c42)c2ccccc2C3=O)c1 6661967 NAPXHZUIGZFKLF-AWEZNQCLSA-N 372.384 2.526 30 40 FFEB Cc1ccc(N2/C(=N\C(=O)C(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 101305532 YBLXOLFPFRBRAR-GGNAOWBESA-N 366.508 2.643 30 40 FFEB Cc1cc(C)c(C#N)c(SCC(=O)N2CC(=O)Nc3ccccc32)n1 10266911 LXFPIYUATWZQDJ-UHFFFAOYSA-N 352.419 2.648 30 40 FFEB C[C@H](NC(=O)COC(=O)c1ccc(NC(=O)CC#N)cc1)c1ccccc1 3429333 UIHKEKGLOUGKTO-AWEZNQCLSA-N 365.389 2.573 30 40 FFEB COC(=O)c1cccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)c1 5009240 PLDHXVJTBVSLNK-UHFFFAOYSA-N 365.414 2.800 30 40 FFEB COc1ccc(S(=O)(=O)/N=C(\O)[C@H](C)NC(=O)OC(C)(C)C)cc1C 65655337 UHUANYPRPWAZQC-NSHDSACASA-N 372.443 2.562 30 40 FFEB O=C(O)c1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(F)cc32)cc1 223753285 XUUIDGQXHVCITJ-PGMHBOJBSA-N 371.393 2.802 30 40 FFEB CC(=O)OC/C(C)=N/NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 5411850 MKCKOEFDAASALX-GIDUJCDVSA-N 373.645 2.864 30 40 FFEB COC(=O)NC(=O)c1c(NC(=O)c2ccc(C#N)cc2)sc(C)c1C 4570462 KBPHTTUKKUEWTK-UHFFFAOYSA-N 357.391 2.985 30 40 FFEB CON/C=N/C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20218886 YAXGBWMPVCZAFI-UHFFFAOYSA-N 364.755 2.676 30 40 FFEB COc1cc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)cc2c1OCCO2 23987194 ODLCKZURZCOGGB-MDWZMJQESA-N 372.398 2.520 30 40 FFEB N#Cc1cn(CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc12 51319132 MOOUOOXMTWKIAV-UHFFFAOYSA-N 358.445 2.857 30 40 FFEB N#Cc1ccc(CCC(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1 11530790 YLHIUNZRAZQEOP-UHFFFAOYSA-N 351.406 2.505 30 40 FFEB C[C@H]1CCCC[C@H]1NC(=O)CN1CCCN(c2ccccc2C#N)CC1 46086742 OYPKDNSEVWOEOP-PKOBYXMFSA-N 354.498 2.765 30 40 FFEB Cc1cc(C)c2nc(N=C3NCN(Cc4ccccn4)CN3)nc(C)c2c1 19330352 YMEDWONTMAUMIK-UHFFFAOYSA-N 361.453 2.548 30 40 FFEB CC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1/N=C/c1ccc(C)o1 6942118 PIAQJQSHHJTXMJ-DPELKRARSA-N 370.434 2.725 30 40 FFEB Cc1csc(C/C(N)=N\OCC(=O)N2c3ccccc3CC[C@H]2C)n1 67953646 FONWUFQOXBHXSS-CYBMUJFWSA-N 358.467 2.651 30 40 FFEB N#Cc1cccnc1OC1CCN(C(=O)c2ccc3nsnc3c2)CC1 96119293 RTMPSQMGXMXQPT-UHFFFAOYSA-N 365.418 2.642 30 40 FFEB C=CCN1C(=O)/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 6073581 YOBBGXIJMKAOAR-MNDPQUGUSA-N 367.321 2.852 30 40 FFEB Cc1c(C(=O)/C(C#N)=N/Nc2ccccc2)c(=O)n(-c2ccccc2)n1C 5677790 GQVINVSKSAEAPA-HAVVHWLPSA-N 359.389 2.659 30 40 FFEB N#Cc1c(NC(=O)CSc2nnc3ccccn23)sc2c1CCC2 4192940 UVOZQYOTTYAJKB-UHFFFAOYSA-N 355.448 2.882 30 40 FFEB C=CCn1c(S)nc2cc(C(=O)NC(C3CC3)C3CC3)ccc2c1=O 102193128 CTCZZGQVHVPKGD-UHFFFAOYSA-N 355.463 2.790 30 40 FFEB N#Cc1c(OCC(=O)NCc2ccco2)nc(-c2ccco2)c2c1CCC2 12324939 FPSDZYPXNOINFV-UHFFFAOYSA-N 363.373 2.990 30 40 FFEB C[C@@H](C(=O)Nc1ccc(NC(=O)C2(C#N)CCCC2)cc1)n1cncn1 25296565 QBWWNDMHUJDYPH-ZDUSSCGKSA-N 352.398 2.500 30 40 FFEB N#Cc1nc(NC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)[nH]c1C#N 58193137 PBKSBQWUFFRKNW-MNOVXSKESA-N 356.183 2.658 30 40 FFEB C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CCOc2ccccc2F)C1=O 58226857 GDUMBGLHAOXNGJ-IBGZPJMESA-N 353.353 2.543 30 40 FFEB Cc1sc2c(c1C)C(=O)NC1=C(c3nc4ccccc4[nH]3)C(=O)CN12 3328987 SZBNAXHWIOPZEP-UHFFFAOYSA-N 350.403 2.743 30 40 FFEB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1cccc(C#N)c1 14135441 PBONABHGPJAKID-HNNXBMFYSA-N 360.421 2.770 30 40 FFEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 6549606 WYXDRYKWPHRIDA-UHFFFAOYSA-N 352.362 2.681 30 40 FFEB COc1ccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)c(OC)c1OC 7333664 LVLPDMFUPKCXNQ-QPJJXVBHSA-N 369.373 2.939 30 40 FFEB CCOC(=O)[C@H]1CCCN(CC(=O)Nc2ccccc2SCC#N)C1 7436639 MRAIJRLTTSWCJK-AWEZNQCLSA-N 361.467 2.516 30 40 FFEB C=CCNc1nc(C(=O)OCC(=O)N[C@H](C)c2ccc(F)cc2)cs1 7699059 JQRLGSAKDDSLAI-LLVKDONJSA-N 363.414 2.914 30 40 FFEB CN1CCCN(C(=O)COc2ccccc2C#N)c2nc3ccccc3nc21 8061620 CCBIIORWRVSXHU-UHFFFAOYSA-N 373.416 2.753 30 40 FFEB COc1ccc(-n2nc(C#N)c(N3CCC(N4CCCCC4)CC3)n2)cc1 8694294 ZGDIVPQSXYCIAX-UHFFFAOYSA-N 366.469 2.602 30 40 FFEB CC1(C)OC[C@@H]2C[C@@]21NC(=O)N=c1ccn(-c2ccc(Cl)cc2C#N)[nH]1 529053583 JVOICCFCAYRLKQ-KPZWWZAWSA-N 371.828 2.508 30 40 FFEB N#Cc1cccnc1N1CCCN(C(=O)CNc2ccccc2Cl)CC1 69008108 UPTYNNALYBJSBU-UHFFFAOYSA-N 369.856 2.757 30 40 FFEB CCOC(=O)/C(=C\Nc1ccsc1C(=O)OC)C(=O)C(F)(F)F 100038262 XKTWHVIRYZPWPR-SREVYHEPSA-N 351.302 2.525 30 40 FFEB Cc1ccc(N2/C(=N/C(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1 16741145 BRNCXVAKUDOUNM-MPOGACDISA-N 366.508 2.561 30 40 FFEB CCCCn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)n[nH]c1=O 7345383 ZIHLNFDZDZJQPD-UHFFFAOYSA-N 365.846 2.627 30 40 FFEB Cc1ccc(C(=O)N2C[C@@H]3CN(c4ccc(C#N)cn4)C[C@H]3C2)cc1F 1888869482 DAFYMRBAKKKNGL-IRXDYDNUSA-N 350.397 2.609 30 40 FFEB CCOC(=O)COc1ccc(C=C2C(=O)CC(C)(C)CC2=O)cc1OC 6154508 VXWXBFNAGATQCI-UHFFFAOYSA-N 360.406 2.979 30 40 FFEB C=CCNC(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1CC(F)(F)F 58305404 XWWWONJHZLODBB-SNVBAGLBSA-N 371.388 2.685 30 40 FFEB Cc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3cccc([N+](=O)[O-])c3)C2=O)c1 408534178 LQCCMVNBHMFJIF-HNNXBMFYSA-N 366.333 2.505 30 40 FFEB CC(=O)N(c1nc(Cn2cnc(C#N)n2)cs1)c1ccc(C)cc1C 14143875 WMAMLQFIPXMDMG-UHFFFAOYSA-N 352.423 2.956 30 40 FFEB C=CCOc1ccccc1CN1C(=O)[C@@](O)(CC(C)=O)c2ccccc21 4987780 SZHYKNLJZVHBEV-OAQYLSRUSA-N 351.402 2.965 30 40 FFEB N#Cc1cccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 7309520 ASDIFBRYBSCYFO-QGZVFWFLSA-N 370.430 2.855 30 40 FFEB Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C#N)c1O 9515205 YFFDHXFWQMWJLR-LLVKDONJSA-N 369.333 2.665 30 40 FFEB C#CCn1c(C)c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21 409409191 UGFDTNSKZNNKIY-HZVDNRATSA-N 357.413 2.724 30 40 FFEB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)C2(C#N)C#N)cc1 218103775 SAHCEUBHALDEOM-ROUUACIJSA-N 352.415 2.977 30 40 FFEB Cc1ncc(S(=O)(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)cc1C#N 331537845 RPUWUPVUBSWGEY-HNNXBMFYSA-N 359.426 2.654 30 40 FFEB CCO/C=N/n1c2nc3ccccc3nc2c2c(=O)n(CC(C)C)cnc21 2249460 ATPDNHLPGOEZOH-SRZZPIQSSA-N 364.409 2.778 30 40 FFEB N#Cc1ccccc1NC(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 3232817 GTNVXXPHUUTDLL-JXMROGBWSA-N 351.318 2.662 30 40 FFEB N#C[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 15989883 KGMZQFPVYSDMGT-YDZRNGNQSA-N 359.360 2.865 30 40 FFEB COC(=O)c1cc(N/N=C2\C=CC(=O)c3ccccc32)cc(C(=O)OC)c1 4071568 GYVKRDHQBIWSHW-OQKWZONESA-N 364.357 2.829 30 40 FFEB C=CCN1C(=O)[C@@](NC(=O)CC(C)C)(C(F)(F)F)N=C1c1ccccc1 20624844 FDBIACRKSKOOSP-KRWDZBQOSA-N 367.371 2.882 30 40 FFEB COc1ccccc1-c1n[nH]c(/N=C(\O)[C@@H]2Cc3ccccc3C(=O)O2)n1 52778942 YLSLKNOYHJLVBU-HNNXBMFYSA-N 364.361 2.850 30 40 FFEB COc1cc(NC(=O)[C@H](C)O/N=C/c2cccc([N+](=O)[O-])c2)cc(OC)c1 24033905 XQYVDGLDIVMCOY-MKFNJMOCSA-N 373.365 2.990 30 40 FFEB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@H](c1ccc(C#N)cc1)CC(O)=N2 71279894 BKQWIWLVVJJENO-CABCVRRESA-N 370.434 2.546 30 40 FFEB C/N=C1/S/C(=C\c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C(=O)N1C 59104634 YJIGDFCURYEEIA-PMDYYOJLSA-N 368.462 2.725 30 40 FFEB N#Cc1ccc(OCCCNc2cccc(C(=O)N3CCOCC3)c2)cc1 55861657 FFQFZEJPDWLFEL-UHFFFAOYSA-N 365.433 2.912 30 40 FFEB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 25548007 UWMKPWKZGHRUQC-SKLDZSLWSA-N 358.478 2.831 30 40 FFEB C=CCn1c(SCC(=O)NCC)nc2sc3c(c2c1=O)CCCC3 3319260 OBAXICMZSMBNDG-UHFFFAOYSA-N 363.508 2.751 30 40 FFEB COc1cc(C#N)ccc1O[C@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 7025797 IUMVWGQUVWNCKP-GFCCVEGCSA-N 374.418 2.589 30 40 FFEB COc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@H](C#N)[C@@H]3C2=O)cc1 15999089 RKIJASNCZKCRBN-FUMNGEBKSA-N 371.396 2.734 30 40 FFEB N#CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 23149661 YOXOCCYYWDDQTO-UHFFFAOYSA-N 366.345 2.838 30 40 FFEB C=CCc1ccccc1OS(=O)(=O)c1ccc(N2C(=O)C=CC2=O)cc1 4615348 ZRMHLNPUGJEESZ-UHFFFAOYSA-N 369.398 2.612 30 40 FFEB C#CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 408809911 SQYZSNXCMZHLIZ-GHRIWEEISA-N 374.396 2.982 30 40 FFEB Cn1ncc(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)c1Cc1ccccc1 1288144117 BMHJNWIFOOKAJK-IBGZPJMESA-N 356.429 2.780 30 40 FFEB CCOC(=O)C/C(=N\Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC 16682253 HWPPGBWNWXYTAS-GZTJUZNOSA-N 357.750 2.532 30 40 FFEB C=CCN1C(=O)[C@H](CC)S/C1=N/S(=O)(=O)c1ccc(CC)cc1 4538067 SZGIHUNMFMMJGN-VUAZUDAXSA-N 352.481 2.834 30 40 FFEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1C 5516121 FSJBRAVKEVQARD-RGHHBTPQSA-N 372.899 2.660 30 40 FFEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2cccc(O)c2)no1 102558105 NLMDQZQJMLDEQT-UYTDBDHRSA-N 366.329 2.908 30 40 FFEB CC(=O)Nc1ccc(S(=O)(=O)/N=C(\O)C2=Cc3ccccc3OC2)cc1 84796804 WOHHKMXIYBOTTO-UHFFFAOYSA-N 372.402 2.766 30 40 FFEB Cc1ccc(S(C)(=O)=O)cc1NCC(=O)NC1(C#N)CCCCCC1 48264294 SYELWBKPQVYHGY-UHFFFAOYSA-N 363.483 2.543 30 40 FFEB N#Cc1c(N)n(CCNC(=O)Nc2ccccc2)c2nc3ccccc3nc12 2309620 NRSOPYNZUNZZCK-UHFFFAOYSA-N 371.404 2.860 30 40 FFEB C=C(C)c1cccc(C(C)(C)NC(=O)NN2C(=O)N[C@](C)(CC)C2=O)c1 12859605 OWTMYJAJMXTHCX-LJQANCHMSA-N 358.442 2.890 30 40 FFEB CCOc1ccc(-n2c(=O)c(C#N)cc3c(=O)n4cccc(C)c4nc32)cc1 6809433 KSGCKJMYZJQEGZ-UHFFFAOYSA-N 372.384 2.577 30 40 FFEB CCN(CC)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1cccc(C#N)c1 67870709 ZVGXEPUBLZYZCI-CMKODMSKSA-N 369.513 2.732 30 40 FFEB biogenic,in-vitro COc1cccc(/C=N/N=C2/C(=O)Nc3ccc(Br)cc32)c1O 83290829 ZXHXASXTUHNWNL-QGMBQPNBSA-N 374.194 2.939 30 40 FFEB Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccccn2)s1 13725433 DXTHUVFFCOSRDN-ZDUSSCGKSA-N 368.374 2.617 30 40 FFEB CN1CCc2nc(SCC(=O)Nc3ccc(F)cc3)c(C#N)cc2C1 20000401 KGAPOBLIDURTOR-UHFFFAOYSA-N 356.426 2.811 30 40 FFEB aggregator COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc2c(c1)OCO2 1101653 JBSAUOPKEOFYPV-HNNXBMFYSA-N 371.389 2.516 30 40 FFEB Cc1ccc(Cl)c(OCC(=O)N2CCN(c3ncccc3C#N)CC2)c1 12617921 DOXIRDGVZDQJHD-UHFFFAOYSA-N 370.840 2.643 30 40 FFEB CC1(C)CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCS1 75107718 MIPSHPWNHGJRCO-UHFFFAOYSA-N 355.467 2.510 30 40 FFEB COC(=O)c1ccc(C(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCCCC2)cc1 8735106 JZIYOMRYHKRJER-CQSZACIVSA-N 372.421 2.703 30 40 FFEB C#CCOc1ccc(Br)cc1/C=N/n1c(S)nnc1CC 408885160 XJADZRMFYQMLEY-CXUHLZMHSA-N 365.256 2.786 30 40 FFEB CNC(=O)c1ccc(CN(CC(=O)Nc2sccc2C#N)C2CC2)cc1 25189653 WKZMTNWTQOTSHW-UHFFFAOYSA-N 368.462 2.582 30 40 FFEB COc1ccc2c(c1)CCC[C@]21NC(=O)N(Cc2ccccc2C#N)C1=O 12775616 YFTZDTMLRRDPGT-NRFANRHFSA-N 361.401 2.850 30 40 FFEB CCN(CC)S(=O)(=O)c1ccc(-c2nc(C#N)c(N3CCCC3)o2)cc1 12421034 GHUUGYWLDBSVCQ-UHFFFAOYSA-N 374.466 2.844 30 40 FFEB O=C(O)COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1Cl 59249988 KEIHPYKKJWSZMX-UBKPWBPPSA-N 350.718 2.553 30 40 FFEB C=CCn1c(SCC(=O)NC[C@H]2CCCO2)nnc1C1CCCCC1 3485650 CNAQPQFNPPUCDX-OAHLLOKOSA-N 364.515 2.899 30 40 FFEB CN(Cc1cc(-c2ccco2)on1)S(=O)(=O)Cc1ccccc1C#N 12980393 LKPFGQNKLTUCMB-UHFFFAOYSA-N 357.391 2.768 30 40 FFEB COc1ccc(Cl)cc1N1CC(=O)C(c2nc3ccccc3n2C)=C1N 5182967 FJIJDTMLGKDHSN-UHFFFAOYSA-N 368.824 2.952 30 40 FFEB C#CCN1C(=O)S/C(=C\c2cccn2-c2cccc(C(=O)O)c2)C1=O 409105811 KTAPEAWBMYAPLR-PTNGSMBKSA-N 352.371 2.845 30 40 FFEB CCC/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)S1 7883159 TYYALNWIIPDGRA-LLVKDONJSA-N 370.272 2.775 30 40 FFEB CC(C)Oc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)c(O)c1 408591212 RZPXJBKHNNPOPI-ZRFBJPMCSA-N 354.406 2.711 30 40 FFEB COC(=O)c1cc(=O)[nH]/c(=N\N=C2c3ccccc3-c3ccccc32)s1 5387027 HNKBYAYRQXDDDC-UHFFFAOYSA-N 363.398 2.557 30 40 FFEB CC(=O)[C@@H]1C(=O)c2c(cccc2[N+](=O)[O-])/C1=N/c1ccc([N+](=O)[O-])cc1O 100703977 ZHJXQJSQSZLEDP-HFUDNHEJSA-N 369.289 2.731 30 40 FFEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)cc1 820839 ZVNYPOCBLMTVEJ-OAHLLOKOSA-N 357.406 2.883 30 40 FFEB CCCc1cc(=O)[nH]c(SCC(=O)N(CCC#N)c2ccc(F)cc2)n1 12565535 WVWIJOQKEVJHJG-UHFFFAOYSA-N 374.441 2.900 30 40 FFEB C=CCn1c(SCC(=O)Nc2nc(C)no2)nnc1-c1ccccc1 58167180 OFAYGSLBRYMUSD-UHFFFAOYSA-N 356.411 2.553 30 40 FFEB CCOc1cc(C#N)ccc1OCC(=O)N(C)Cc1cccc([N+](=O)[O-])c1 24948107 ATUJWNGRMRRMSL-UHFFFAOYSA-N 369.377 2.903 30 40 FFEB COC(=O)c1cc(C#N)c(=O)n(CC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1 12864039 AMEKPINLECEOCZ-KBRIMQKVSA-N 374.437 2.511 30 40 FFEB COc1ccc(OC)c(/C(O)=N/S(=O)(=O)c2ccc3c(c2)CCC3)c1 48612825 QEASIGQUXUXATR-UHFFFAOYSA-N 361.419 2.886 30 40 FFEB Cn1c(N/N=C/c2ccco2)nc2sc3c(c2c1=O)CC(C)(C)OC3 4792607 OMISGLPFUMKEJR-QGMBQPNBSA-N 358.423 2.885 30 40 FFEB CCCCc1ccc(N2/C(=N\C(C)=O)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 100937015 BIJXVTPAEJMRHK-OOOBVYKPSA-N 366.508 2.651 30 40 FFEB COc1ccccc1-c1n[nH]c(/N=C(\O)CCNC(=O)c2cccs2)n1 40154195 TYCSUXQDWUUQFZ-UHFFFAOYSA-N 371.422 2.950 30 40 FFEB C=CCn1c(SCC(=O)NC(N)=O)nnc1-c1ccc(C(C)(C)C)cc1 2626102 PWPBDVQGUCJFOZ-UHFFFAOYSA-N 373.482 2.716 30 40 FFEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(N)nc(N)c32)cc1 10339094 JGQUUGWKFCIYIU-CQSZACIVSA-N 365.437 2.850 30 40 FFEB CCOc1ccc(OCC(=O)OCC(=O)Nc2ccccc2C#N)cc1 5287446 IUDVPFCSJSKTIA-UHFFFAOYSA-N 354.362 2.518 30 40 FFEB CC(C)CCS(=O)(=O)OCCCCOS(=O)(=O)CCC(C)C 73408341 KEPYZDUMSFZPSX-UHFFFAOYSA-N 358.522 2.552 30 40 FFEB OC1=N[C@@H]2CCCC[C@@H]2N(/C(O)=N/CC[C@@H]2COc3ccccc3O2)C1 330220539 KWEVZBUTSPVZFI-KFWWJZLASA-N 359.426 2.714 30 40 FFEB N#Cc1cccc(C(=O)N2CC3(C[C@H](OCc4ccncc4)CS3)C2)c1 575402391 CEQBXIBTCMQNAB-SFHVURJKSA-N 365.458 2.870 30 40 FFEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1c(C)cc(C)cc1C 5377845 IQPSRUQXEKMBSI-NERIXLHVSA-N 366.508 2.623 30 40 FFEB N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2ccc3ncsc3c2)C1 225479970 SMCWJTKHPXJROK-ZDUSSCGKSA-N 365.418 2.642 30 40 FFEB CCOc1cccc2c1O[C@@H](COS(=O)(=O)c1ccc(C)cc1)CO2 1698077 JTJVBBCZDKFBPJ-CQSZACIVSA-N 364.419 2.939 30 40 FFEB CCOC(=O)c1nnsc1N/N=C/c1ccccc1Br 4478135 KAAQQWBGZPKOSN-VGOFMYFVSA-N 355.217 2.923 30 40 FFEB CCCCn1c(SC/C(O)=N/c2ncn[nH]2)nc2ccsc2c1=O 33175260 HOAYYKGTMRDASK-UHFFFAOYSA-N 364.456 2.757 30 40 FFEB N#Cc1cc2c(nc1NC[C@H]1CC[C@@H](c3n[nH]c(C4CC4)n3)O1)CCC2 1775959078 GPESTPVJFLVPEM-ZBFHGGJFSA-N 350.426 2.770 30 40 FFEB COc1cccc2[nH]c3c(=O)n(/N=C/c4ccccc4Cl)c(=O)[nH]c3c12 17824620 GTZQILCIRYRKNZ-AWQFTUOYSA-N 368.780 2.715 30 40 FFEB CC[C@@H](CNC(=O)COc1ccc(C#N)cc1)N1CCc2ccccc2C1 32445991 LGPZQZOVNMMUDY-FQEVSTJZSA-N 363.461 2.890 30 40 FFEB C=CCN(C(=O)CCN1C(=O)CCC1=O)c1nc(-c2ccccc2)cs1 21597814 HFFZABWHVHAUOZ-UHFFFAOYSA-N 369.446 2.868 30 40 FFEB CCOC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2ccccc2)NC(=S)N1 8718046 VFFHBENYPQNAGY-INIZCTEOSA-N 366.442 2.906 30 40 FFEB Cn1c(SC[C@@H](O)COc2ccc(C#N)cc2)nnc1-c1ccccc1 10341344 YHLLGRUMPBQFST-INIZCTEOSA-N 366.446 2.886 30 40 FFEB Cc1sc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(C#N)c1C 14596037 HOIJJHCOXXGLBR-STQMWFEESA-N 359.451 2.740 30 40 FFEB CC(C)(C)c1ccc(C(=O)NCC#CCOc2ccccc2C(N)=O)cc1 85558732 MUHPWDWTSGKYFE-UHFFFAOYSA-N 364.445 2.895 30 40 FFEB Cc1ccc(C(=O)C2CCN(CC(=O)NC3(C#N)CCCC3)CC2)cc1 54296477 ZTPJNCNVGCUWBC-UHFFFAOYSA-N 353.466 2.842 30 40 FFEB N#Cc1cccc(NC(=O)N2CC3(CC(=O)N(Cc4ccccc4)O3)C2)c1 1549161379 GXXLNUFIPPVVBG-UHFFFAOYSA-N 362.389 2.509 30 40 FFEB CCN(Cc1ccc2c(c1)OCO2)C(=O)COc1ccc(C#N)cc1OC 19015985 ABRWKLFESDJTKF-UHFFFAOYSA-N 368.389 2.723 30 40 FFEB CN(C)C(=O)[C@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)c1ccccc1 6842589 WJLKCRRRDHCGRS-GOSISDBHSA-N 365.389 2.525 30 40 FFEB COc1c2c(cc3c1[C@H](C/C(=N/O)c1ccccn1)N(C)CC3)OCO2 20111752 YBIIDIGFVMXLJU-JTMDUIFQSA-N 355.394 2.617 30 40 FFEB biogenic COc1ccccc1N1CCN(C(=O)Cn2cc(C#N)c3ccccc32)CC1 51319026 YIKZYFCDOKYQDK-UHFFFAOYSA-N 374.444 2.870 30 40 FFEB COc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc(C#N)c2)c(OC)c1 3230355 ZHFUYGHNJGUNRB-VQHVLOKHSA-N 366.373 2.771 30 40 FFEB C[C@H](NC(=O)CON=C1CCC2(CC1)OCCO2)[C@@H]1C[C@H]2CC[C@H]1C2 108064898 QQKRUEYSXFGKKG-JKQORVJESA-N 350.459 2.617 30 40 FFEB COc1cc(S(=O)(=O)N2CCOCC2)ccc1/N=C/c1ccc(C)cc1 3241344 WOQMXRNNFZZYMV-XSFVSMFZSA-N 374.462 2.775 30 40 FFEB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CNCc3ccncc3)C(=O)O[C@@H]1C2 4000073 GSJFJISMQUTKQT-DOVHUEEUSA-N 356.466 2.698 30 40 FFEB biogenic C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OCC)cc1)CC(=O)N2 4944383 WESMSCTZOZALAU-CYBMUJFWSA-N 357.435 2.921 30 40 FFEB CC(C)Oc1ccccc1/C=N\Nc1ncc(F)c(N2CCOCC2)n1 408601821 LLCUIKUQOYZASL-NHDPSOOVSA-N 359.405 2.686 30 40 FFEB COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1C 527448165 FYYOFNWORFUDNL-ZYHUDNBSSA-N 369.343 2.695 30 40 FFEB CCOC(=O)[C@@](C)(/C=N/NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 1557339 UPLAEZJRLOKVSO-XPFMCRKWSA-N 374.462 2.780 30 40 FFEB O=C(O)CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 102625349 FSNZUSSMKWLTNT-UYTDBDHRSA-N 371.776 2.846 30 40 FFEB N#Cc1c(F)cccc1NCCNC(=O)c1cc(Cl)c2c(c1)OCO2 47332691 UUHAVMGKHQLZRO-UHFFFAOYSA-N 361.760 2.921 30 40 FFEB C=CCOc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)c1 55724092 DNNKHLFCQCDJLB-UHFFFAOYSA-N 360.435 2.511 30 40 FFEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1C 101303525 FSJBRAVKEVQARD-LTUGMUNRSA-N 372.899 2.660 30 40 FFEB Cc1nn(C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)c(=O)c(C#N)c1C 45821609 VAVCWWKSWIZVMT-XJKSGUPXSA-N 361.829 2.524 30 40 FFEB CC1(C)OB(C2=CCN(C(=O)c3ccc4nc(O)[nH]c4c3)CC2)OC1(C)C 1776007769 WQWHNHKLJOSYMR-UHFFFAOYSA-N 369.230 2.672 30 40 FFEB CN(c1ccccc1C(=O)Nc1ccc(C#N)c(Cl)c1)S(C)(=O)=O 55414790 BQIPHYCCTWLGED-UHFFFAOYSA-N 363.826 2.860 30 40 FFEB CC(C)(C)OC(=O)N1CCn2nc(NC(=O)c3cscc3C#N)cc2C1 1536490298 SERFBKZDPWTFSL-UHFFFAOYSA-N 373.438 2.819 30 40 FFEB CCOc1cc(C#N)ccc1OCC(=O)OCC(=O)N[C@@H]1CCCC[C@@H]1C 17730757 MMZFBKZGLPADES-GOEBONIOSA-N 374.437 2.574 30 40 FFEB Cc1cc(N(C)C)nc(N2CCN(c3nc4ccccc4cc3C#N)CC2)n1 1889201624 HGZFBUDLYKQVMY-UHFFFAOYSA-N 373.464 2.598 30 40 FFEB N#Cc1ccccc1CN[C@H]1CCc2onc(C(=O)NC3CCCC3)c2C1 2055746037 CXAGNQQYCIBQGB-KRWDZBQOSA-N 364.449 2.866 30 40 FFEB CSc1nc(N)c(C(=O)OCC(=O)Nc2ccc(C)c(C)c2)cc1C#N 23508688 ZTLJLYDOTCVLFV-UHFFFAOYSA-N 370.434 2.670 30 40 FFEB C=CCNC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 42621939 WRPIZPLTPSXGBZ-UHFFFAOYSA-N 366.377 2.577 30 40 FFEB CCC(=O)C1=C(c2cccc([N+](=O)[O-])c2)N(C(=O)CC)n2cnnc2S1 4518342 YZBITGZLEIKMHX-UHFFFAOYSA-N 373.394 2.515 30 40 FFEB C=CCN1C(=O)c2ccc(C(=O)Nc3ccsc3C(=O)OC)cc2C1=O 14022412 BNEXBINEINUYCV-UHFFFAOYSA-N 370.386 2.569 30 40 FFEB C=CCOC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 4908735 LUAULMSEBPVYAT-JCKWVBRZSA-N 362.813 2.553 30 40 FFEB Cc1c(C#N)c(NC(=O)CSc2ncn[nH]2)n(-c2ccccc2)c1C 12526873 LSLCYEQCKJIBBV-UHFFFAOYSA-N 352.423 2.815 30 40 FFEB C/N=C1/S/C(=C/c2cc(Br)c(O)c(OC)c2)C(=O)N1C 100322356 KTOHRQJPPMHQCX-IZGNUEAASA-N 357.229 2.695 30 40 FFEB Cc1cc(=O)[nH]c(N/N=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)n1 13597855 ZXELGOZHHPQIAN-UFWORHAWSA-N 360.780 2.811 30 40 FFEB CCN1C(=O)C(=Cc2cn(CC#N)c3ccccc23)C(=O)N(CC)C1=S 409387326 PXICWCIQKKNUPX-UHFFFAOYSA-N 366.446 2.544 30 40 FFEB CC(C)(C)NC(=O)Cn1cc(C#N)c(=O)c2cc(Br)ccc21 84199346 ZFUPSORNUJVWNF-UHFFFAOYSA-N 362.227 2.550 30 40 FFEB Cc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(N(C)C)cc3)C2=O)c1 408528631 BQHMBLAFQDZIOF-QGZVFWFLSA-N 364.405 2.663 30 40 FFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@@]2(C#N)C(=O)O)cc1 218436530 FSORBNMCXYQMGS-JFIYKMOQSA-N 359.378 2.668 30 40 FFEB Cn1cc(C#N)c(=NC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)[nH]1 610577568 PTSAIWGLASDDGC-IUOZQUQDSA-N 352.360 2.801 30 40 FFEB C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O 574749018 CUJWYVTXDRLSOF-UHOSZYNNSA-N 371.481 2.805 30 40 FFEB COc1cc(/C=C2\C(=O)N(CCC#N)N=C2C)cc(Br)c1O 5657154 AIEBTLHPLNEXNE-WDZFZDKYSA-N 364.199 2.678 30 40 FFEB N#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 2627143 GOYLVHIKQCACLY-UHFFFAOYSA-N 355.419 2.595 30 40 FFEB CC1=C(C(=O)OCCC#N)[C@@H](c2cccc(Br)c2)NC(=O)N1 4491545 UAGSHACZOMIVIG-CYBMUJFWSA-N 364.199 2.534 30 40 FFEB CC1=NN(C(N)=S)C(=O)/C1=N/Nc1cc(C(F)(F)F)ccc1Cl 100527686 QNEKLMVLOPVNKQ-DJKKODMXSA-N 363.752 2.588 30 40 FFEB O=S(=O)(/N=C(\O)c1cccc(F)c1)c1ccc2c(c1)OCCCO2 42338972 JHSQJWMWLAKDDM-UHFFFAOYSA-N 351.355 2.681 30 40 FFEB C=CCn1c(C)nn(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1=S 54516226 BMSAYQNGFDUWHR-UHFFFAOYSA-N 374.470 2.596 30 40 FFEB C#Cc1cccc(NC(=O)CNC(=O)COCc2ccccc2Cl)c1 57986821 SXHXAAOWHIQSNY-UHFFFAOYSA-N 356.809 2.593 30 40 FFEB COc1cccc(NC(=O)c2sc(N=C(N)N)nc2-c2ccccc2)c1 58637191 ULPUPBHKBWPQMV-UHFFFAOYSA-N 367.434 2.976 30 40 FFEB N#Cc1ccc(OCC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 11002177 LBKJODUYGUEVKG-KRWDZBQOSA-N 363.417 2.814 30 40 FFEB Cc1ccc(-c2nnn(CC(=O)Nc3sc4c(c3C#N)CCC4)n2)cc1 4744246 DMFCQHBQCIZMCZ-UHFFFAOYSA-N 364.434 2.709 30 40 FFEB CN(C)C(=O)[C@@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)c1ccccc1 6842591 WJLKCRRRDHCGRS-SFHVURJKSA-N 365.389 2.525 30 40 FFEB O=C(C[C@H]1S/C(=N\C2CCCC2)NC1=O)NCc1ccc(Cl)cc1 8513807 JKFWBRCRANAVGW-CQSZACIVSA-N 365.886 2.877 30 40 FFEB Cc1cc(/C=N\N2C(=O)CSC2=S)c(C)n1-c1ccc(C(=O)O)cc1 409343286 DKEGOHPTZIFSNB-LSCVHKIXSA-N 373.459 2.987 30 40 FFEB C=CCOc1ccc(C(=O)N2CCC[C@@H](c3ccnc4ncnn34)C2)cc1 72334882 DZJCZUIABUAWCM-MRXNPFEDSA-N 363.421 2.709 30 40 FFEB CC1(C)OB(C2=CCN(C(=O)N[C@H]3CCO[C@@H]3C3CC3)CC2)OC1(C)C 1776007634 QJNKGNXHFSWIPO-JKSUJKDBSA-N 362.279 2.527 30 40 FFEB Cc1nc(C2CC2)nc(OCC2CCN(c3nccc(C#N)n3)CC2)c1C 1888869955 TYPMHSIQCVJZEV-UHFFFAOYSA-N 364.453 2.928 30 40 FFEB Cn1ccc(C(=O)Nc2ncc(Cc3cccc(C#N)c3)s2)cc1=O 31925368 YBGHNMSDFPJBBG-UHFFFAOYSA-N 350.403 2.557 30 40 FFEB CCC(=O)N1CCN(c2nc(C(C)C)c3c(c2C#N)CC(C)(C)OC3)CC1 20827579 IHCWKGMSLIFXAK-UHFFFAOYSA-N 370.497 2.987 30 40 FFEB N#Cc1cccc(S(=O)(=O)N2CCC(CN3CCCCCC3)CC2)c1 32951938 JQOXYSWKSFEXDU-UHFFFAOYSA-N 361.511 2.835 30 40 FFEB C=CCNc1nc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cs1 10134749 IREJAGLGZPUVHE-NSHDSACASA-N 356.407 2.797 30 40 FFEB Cc1cc(NCC(=O)NCc2ccco2)n2c(nc3ccccc32)c1C#N 25251898 UETOURIRVQTCNO-UHFFFAOYSA-N 359.389 2.989 30 40 FFEB Cn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccccn1 13331781 PXRFUZNDJZJDNU-UHFFFAOYSA-N 356.436 2.541 30 40 FFEB O=C(O)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1 5483986 UPQVDYBLATZHIX-SELCWUDQSA-N 365.385 2.973 30 40 FFEB CC(C)[C@](C)(C#N)NC(=O)CSc1nc2ccccc2c(=O)n1C1CC1 7860394 NSXMIRZJRNHNCR-IBGZPJMESA-N 370.478 2.878 30 40 FFEB CCc1ccccc1N=C[C@@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O 408534146 LNOJCYGPLZMYRN-CYBMUJFWSA-N 353.353 2.990 30 40 FFEB C=CCNc1ccc(S(=O)(=O)NCCc2ccccc2)cc1C(=O)O 217614643 AZXZKLIGJRFISV-UHFFFAOYSA-N 360.435 2.504 30 40 FFEB O=[N+]([O-])c1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(O)c([N+](=O)[O-])c1 3050514 UQBYZGYIWMFCCT-WOJGMQOQSA-N 372.337 2.796 30 40 FFEB N#Cc1ccc(OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 5108509 JWIPUYSIGGTSTP-UHFFFAOYSA-N 353.422 2.732 30 40 FFEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCC(=O)O)cc1 104092267 CPWYGJLWHQIJIN-SELCWUDQSA-N 365.385 2.891 30 40 FFEB CN(C)N1C(=O)C[C@H](c2ccc3c(c2)OCO3)C2=C1CC(C)(C)CC2=O 1426954 YJYDGOMOGLUBDA-CYBMUJFWSA-N 356.422 2.851 30 40 FFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nnc(-c2ccco2)s1 48260436 LCGCIPUCRISBAO-UHFFFAOYSA-N 369.406 2.546 30 40 FFEB CCN(C1CC1)S(=O)(=O)c1c(C)nn(Cc2ccc(C#N)cc2)c1C 58215828 FOGXUTMUXSVGPN-UHFFFAOYSA-N 358.467 2.593 30 40 FFEB N#CCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2c(F)cccc2F)cc1 3321498 WFPJQVZLQWDHJS-UHFFFAOYSA-N 373.315 2.612 30 40 FFEB CC(=O)N1c2ccc(S(=O)(=O)Oc3ccccc3C#N)cc2C[C@@H]1C 12968453 BNQJYSMENYKPPI-LBPRGKRZSA-N 356.403 2.623 30 40 FFEB C=CCN1[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N[C@H]2CCCC[C@H]21 13519463 TVERLAUBMYZBFH-GVDBMIGSSA-N 361.873 2.966 30 40 FFEB COc1ccc(/C=N/Nc2nncc3ccccc23)c(C(=O)O)c1OC 4889408 GJMQTRVQCPXRAW-KEBDBYFISA-N 352.350 2.791 30 40 FFEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC2 7054237 UGACTMVNYLMRRW-UHFFFAOYSA-N 356.447 2.892 30 40 FFEB Cc1ccc([C@@H]2C3=C(Nc4[nH]c(=O)[nH]c(=O)c42)c2ccccc2C3=O)cc1C 18201176 VCHMRISGIZHYJM-OAHLLOKOSA-N 371.396 2.845 30 40 FFEB Cc1cc(N2CCOCC2)ccc1NC(=O)N(CCC#N)CCCN(C)C 72314443 JGDJCSORVLFDJC-UHFFFAOYSA-N 373.501 2.531 30 40 FFEB C#CCN(C)Cc1nc(C2(O)CCN(Cc3ccccc3F)CC2)cs1 225469528 QPWCKYNDKMSBKL-UHFFFAOYSA-N 373.497 2.831 30 40 FFEB biogenic,in-vitro CCCCCCCCNS(=O)(=O)c1cccc(N2C(=O)CCC2=O)c1 408721123 CYSFVTOLZXTXPC-UHFFFAOYSA-N 366.483 2.979 30 40 FFEB N#Cc1ccc(Cn2nc3n(c2=O)C(=O)N(c2ccc(Cl)cc2)C3)cc1 1547201315 ZRTIBHXZJSQHOS-UHFFFAOYSA-N 365.780 2.606 30 40 FFEB C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)C=O 77286610 WTFBQEPBRAYYTL-IIEHVVJPSA-N 374.452 2.987 30 40 FFEB in-vitro Cc1cncc(CN2CCC[C@H]2c2c[nH]c(=Nc3ccc(C#N)nc3)cn2)c1 585294386 QNARDFILQCDXEG-FQEVSTJZSA-N 371.448 2.949 30 40 FFEB CCOC(=O)Cc1csc(/N=C(\O)CN2CCc3sccc3C2)n1 26913290 CFXZYXJMIXPFAL-UHFFFAOYSA-N 365.480 2.957 30 40 FFEB C=CCn1c2cc(C)sc2c2cnn(CC(=O)N(CC)CC)c(=O)c21 12113495 OSTKEIDBFPXGQI-UHFFFAOYSA-N 358.467 2.776 30 40 FFEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccccc2)cc1 19138485 QGHXVAOTRCRNLH-RDTXWAMCSA-N 351.402 2.954 30 40 FFEB Cc1ccc(C(N)=O)c(OCC(=O)N(CCC#N)c2ccc(F)cc2)c1 32789221 XCILRXMSZWZYSW-UHFFFAOYSA-N 355.369 2.559 30 40 FFEB C=CCn1cnn(CN2CCC[C@H]2c2nnc3n2CCCCC3)c1=S 32935383 HACAFLHTWFQPFU-AWEZNQCLSA-N 359.503 2.713 30 40 FFEB C#CCOc1c(/C=C2/SC(=O)NC2=O)cc(Br)cc1OC 2169634 GKWLCLXSRBIPBU-IZZDOVSWSA-N 368.208 2.794 30 40 FFEB CCN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 19911568 ZCSOYUYDEXNKRD-UHFFFAOYSA-N 360.527 2.855 30 40 FFEB C/C(=N\CCc1ccccn1)c1c(C)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O 96509944 RQHXMRNXUBNSLC-DEDYPNTBSA-N 365.393 2.829 30 40 FFEB N#Cc1ccc(CNC(=O)C2(C(=O)Nc3ccc(F)cc3)CC2)c(F)c1 72275795 UYKIDKFYJFRFRD-UHFFFAOYSA-N 355.344 2.872 30 40 FFEB C=CCN1C(=O)C2(CCOCC2)c2cc(NCc3cnn(C)c3)ccc21 96244777 YSVZQLQPMBCWTM-UHFFFAOYSA-N 352.438 2.613 30 40 FFEB COc1cc(Br)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c1O 5611498 UOIOCJHQNUVOHS-SOFYXZRVSA-N 367.159 2.913 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccn1 13121671 QYFOEYSFSMODLM-QGZVFWFLSA-N 352.390 2.615 30 40 FFEB N#CC1(C(=O)N2CCC3(CC2)CC(NC(=O)c2cccnc2)C3)CCCC1 2055844886 JCCRVCYOOBZZRY-UHFFFAOYSA-N 366.465 2.667 30 40 FFEB CC(=O)ON(C(C)=O)c1ccc(C(=O)O[C@@]2(C)CC(C)(C)[N+]([O-])=N2)cc1 1561186 CMVYQLYAKXIMIB-KRWDZBQOSA-N 363.370 2.535 30 40 FFEB C=CCN1C(=O)N[C@@H](c2ccc(C(=O)OC)cc2)C(C(=O)OCC)=C1C 3418892 UQAFIFOOVNKBMN-INIZCTEOSA-N 358.394 2.563 30 40 FFEB CC(C)c1nc(NCCN2CCOCC2)c(C#N)c2c1COC(C)(C)C2 22861537 SXYXPUJOCNREDZ-UHFFFAOYSA-N 358.486 2.672 30 40 FFEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1 32506826 SCSWXCGTHWKTOP-YTRIFDNDSA-N 366.508 2.787 30 40 FFEB C/C(=N\N=C\c1cccc2ccccc12)c1nnn(-c2nonc2N)c1C 1436667 XUWPWCDERNQHBE-CLVAPQHMSA-N 360.381 2.537 30 40 FFEB C=CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 6231370 WIGHXPADCRECGJ-UHFFFAOYSA-N 369.446 2.894 30 40 FFEB C=CCN1CCO[C@@H]2CN(C(=O)c3cccc(OC(C)C)c3)CC[C@@H]2C1 1565550769 FASDWJALOOEXSJ-UYAOXDASSA-N 358.482 2.823 30 40 FFEB Cn1c(Nc2ccc(SC3CCCC3)cc2)c(C#N)c(=O)n(C)c1=O 30521146 QALYRNUVJHEHJN-UHFFFAOYSA-N 356.451 2.734 30 40 FFEB C=C(C)CN(CC)CC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1 40161503 HBOQKPLUUHKYAP-SFHVURJKSA-N 357.454 2.756 30 40 FFEB N#CCc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 1426013 UQRGGQIQUNZLRI-UHFFFAOYSA-N 369.446 2.789 30 40 FFEB C=C(C)CN(CC)C(=O)COC(=O)c1cccc(Nc2ncccn2)c1 24776211 CSAYRICBMXFCCV-UHFFFAOYSA-N 354.410 2.802 30 40 FFEB COc1cc2c(cc1OC)/C(=C/C(=O)c1ccc3c(c1)OCO3)NCC2 4085530 DDONKSBDKDUGLR-GDNBJRDFSA-N 353.374 2.802 30 40 FFEB biogenic COc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2cccc(F)c2)cc1OC 5408817 TXXJDAJWOMAPGJ-MRXNPFEDSA-N 357.337 2.709 30 40 FFEB CCOc1cc([C@H]2NC(=O)C(O)=C2C(=O)c2cccc(OC)c2)ccc1O 17784346 FWCCBCGVOBNFEK-QGZVFWFLSA-N 369.373 2.665 30 40 FFEB CN(C)/C=C(/C(=O)C(Cl)(Cl)Cl)c1nnnn1-c1ccccc1 33701872 IVBYHWGGWHZRTM-NTMALXAHSA-N 360.632 2.504 30 40 FFEB Cc1c(C(=O)N2CCCCC2)nn(-c2ccc(Cl)cc2)c(=O)c1C#N 1426325 CNRRSNZFLKMNFY-UHFFFAOYSA-N 356.813 2.692 30 40 FFEB N#Cc1ccc(C(=O)NCC(=O)NCCCc2c[nH]c3ccccc23)cc1 107774267 UPXSWXAZBLRVAC-UHFFFAOYSA-N 360.417 2.518 30 40 FFEB C/N=C1/S/C(=C\c2cc(Br)c(O)c([N+](=O)[O-])c2)C(=O)N1C 59104782 DGLJCTSEOOUAKP-URGDIRINSA-N 372.200 2.595 30 40 FFEB CCN1C(=O)[C@@H](CC(=O)O)S/C1=N\N=C(/C)c1ccc(Cl)cc1 59474384 QUJAGPDJCDUXIH-MHHPCLONSA-N 353.831 2.859 30 40 FFEB CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2C#N)cc1 12758436 RAAGFWSDYFFYGX-UHFFFAOYSA-N 357.435 2.887 30 40 FFEB Cc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)n1-c1cccnc1 409410174 ZVXWRLYXUHUDOP-STEAMIEHSA-N 360.417 2.630 30 40 FFEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)cc(C)c1 5488886 ZHRHMSXBYWSJRA-PLDZJGDPSA-N 366.508 2.705 30 40 FFEB C=CCO[C@@H]1C=CC=C[C@H]1[C@H](c1c(O)n[nH]c1C)c1c(C)nn(C)c1O 408920901 LOPNJSJKWJYGLS-CKEIUWERSA-N 356.426 2.617 30 40 FFEB Cn1nc(C(=O)Nc2nc3ccccc3cc2C#N)c2ccccc2c1=O 4709920 DQFQLJVTXKIMRF-UHFFFAOYSA-N 355.357 2.606 30 40 FFEB Cc1ccc(NNc2nc3nonc3nc2N/N=C\c2ccncc2)cc1 33784253 VRLKLQVNCJVDNV-GRSHGNNSSA-N 361.369 2.601 30 40 FFEB CC(C)c1ccc2c(c1)[C@]1(CCO2)C[C@H]1C(=O)Nc1nc(C#N)c(C#N)[nH]1 583622953 LSBJAIOLZNWGEL-XOBRGWDASA-N 361.405 2.955 30 40 FFEB CN(C(=O)OC(C)(C)C)C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 575440551 QCEZXQBNCKLXGH-UHFFFAOYSA-N 361.247 2.993 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccc(O)cc2)cc1OC 5408732 NYVHCEPZFQQZTI-KRWDZBQOSA-N 369.373 2.618 30 40 FFEB N#Cc1ccc(N2C[C@H]3CCN(C(=O)Cc4ccc(F)cc4F)[C@H]3C2)nc1 1889139463 CCQGVNAXVGRKIK-QAPCUYQASA-N 368.387 2.511 30 40 FFEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2cccnc2)no1 102891321 UHWVLXWNFZSVPD-IDTYTIONSA-N 351.318 2.597 30 40 FFEB N#Cc1cccnc1NCCNC(=O)CSc1nc2ccccc2s1 47252855 FKKLQVFNDYMKTE-UHFFFAOYSA-N 369.475 2.883 30 40 FFEB CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)/N=C1/NCCS1 56389541 FATVFIAEXAAFOM-SFHVURJKSA-N 369.490 2.742 30 40 FFEB C[C@H]1CN(c2ccc(CNC(=O)N3CCC(C#N)CC3)cc2F)C[C@H](C)O1 57994038 KRZLTCSVODRAQL-GJZGRUSLSA-N 374.460 2.884 30 40 FFEB N#Cc1ccc(C(=O)OCC(=O)NC(=O)CCSc2ccccc2)cc1 2636613 AMHXPKBZXGKDRP-UHFFFAOYSA-N 368.414 2.540 30 40 FFEB N#Cc1ccc(NC(=O)CCN2C(=O)COc3ccccc32)cc1Cl 13015992 SRNNZZSMOZSXSP-UHFFFAOYSA-N 355.781 2.966 30 40 FFEB CCn1nnnc1SCC(=O)Nc1ccccc1S[C@H](C)CC#N 95953375 QEZSWDWXGULKCZ-LLVKDONJSA-N 362.484 2.818 30 40 FFEB C/N=C1/S/C(=C\c2cc(Br)c(OC)c(OC)c2)C(=O)N1C 408928421 AZVVZDNHUBYZMV-VCJMRONBSA-N 371.256 2.998 30 40 FFEB N#Cc1ccc(OC(F)F)c(NC(=O)c2cnn(-c3ccccc3)n2)c1 76194430 HVKPAHLHGJNWER-UHFFFAOYSA-N 355.304 2.993 30 40 FFEB N#Cc1nc([C@@H]2C[C@@H]2c2ccc(F)cc2)oc1N1CCC(C(N)=O)CC1 1775975095 DNYFPFKQEKPZRA-HUUCEWRRSA-N 354.385 2.658 30 40 FFEB CCNC(=S)N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 6205752 NOHHYXNWJYBEGA-YBFXNURJSA-N 358.423 2.992 30 40 FFEB CC(C)(C)c1nc2c(c(N3CCN(c4ccc(C#N)nc4)CC3)n1)CCC2 1888866723 YKJGNPKSNHJIBZ-UHFFFAOYSA-N 362.481 2.856 30 40 FFEB N#Cc1ccnc(N2CCN(c3cc(C4CCC4)nc(C4CC4)n3)CC2)n1 1888869728 XZQFAIAGDKHLBK-UHFFFAOYSA-N 361.453 2.610 30 40 FFEB N#C[C@H](C(=O)[C@@H]1COCCO1)c1nc2cc(C(F)(F)F)ccc2s1 41548292 XHLAEALAOXNCSM-KOLCDFICSA-N 356.325 2.907 30 40 FFEB C=CCn1c(=O)c2ccccc2n2c(SCCN3CCCCC3)nnc12 9154067 CUMUGUIAAAWPPT-UHFFFAOYSA-N 369.494 2.808 30 40 FFEB C#CCN(Cc1ccc(C)cc1)C(=O)NCc1ccccc1Cn1cncn1 58249183 CREOSIVSYQVUIR-UHFFFAOYSA-N 373.460 2.980 30 40 FFEB CCN(CC)c1ccc(/C=N\N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100229856 ZJFAFNLKQZZYEM-UIIQOBFPSA-N 363.461 2.920 30 40 FFEB C[C@@H](OC(=O)c1ccccc1CC#N)C(=O)Nc1ccc2c(c1)OCO2 22872264 HWGISPPVFZEYKU-GFCCVEGCSA-N 352.346 2.665 30 40 FFEB COc1cccc(/N=C\[C@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c1 408752269 CSNOPZCNCSSKPB-VBNMEBLOSA-N 367.430 2.770 30 40 FFEB N#Cc1nc(-c2ccccc2)oc1N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 138147956 PUPYVQUSVVSGTA-GOEBONIOSA-N 358.401 2.999 30 40 FFEB Cc1nnccc1N=C(O)CN1C(=O)[C@]2(C[C@H](C)CC(C)(C)C2)N=C1O 329246266 AQBLPQDFNYPZKQ-ADLMAVQZSA-N 359.430 2.714 30 40 FFEB C[C@H]1CN(/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)C[C@H](C)O1 5523513 NJQJCCXGUQYFNO-VHJGWARJSA-N 358.463 2.931 30 40 FFEB CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1[C@H](O)[C@H](F)C2 1848349789 GTHLUQQEKIJSME-CXAGYDPISA-N 365.357 2.821 30 40 FFEB CC(C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 5266049 ZYKOEFYZHAJQSR-TWWIOWFMSA-N 372.899 2.597 30 40 FFEB NS(=O)(=O)c1cccc(NC=C2C(=O)CC3(CCCCC3)CC2=O)c1 103840641 RQFCRMUEPZGPRI-UHFFFAOYSA-N 362.451 2.512 30 40 FFEB COc1ccccc1/C=N\N=C1\NC(=O)[C@H](Cc2ccc(F)cc2)S1 4866430 KRALAFVFXGMXQM-VBNMEBLOSA-N 357.410 2.999 30 40 FFEB COC(=O)N(C)CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 55823950 KOXOASQPBYPFNN-UHFFFAOYSA-N 367.405 2.968 30 40 FFEB N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 107348270 BPQNGLKSXJMDNH-GRDNDAEWSA-N 364.405 2.662 30 40 FFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1nc2ccccc2s1 48234545 BQRWXZRXVBNSKE-UHFFFAOYSA-N 366.446 2.722 30 40 FFEB COc1ccc(OC)c2c1s/c(=N\C(=O)c1ccc(C#N)cc1)n2C 100908744 MCVPVXCCNJWTAI-ZZEZOPTASA-N 353.403 2.870 30 40 FFEB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)Oc1ccccc1C#N 7786194 SNUWKTHXCTYQDU-HNNXBMFYSA-N 351.406 2.697 30 40 FFEB Cc1csc([C@@H](C#N)C(=O)CSc2nnc(-c3ccco3)n2C)n1 7834369 DSFYBPSEMSDSBZ-JTQLQIEISA-N 359.436 2.809 30 40 FFEB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1N=Cc1cc([N+](=O)[O-])ccc1Cl 408918136 GNGLISLAPJLWTP-UNXFNURESA-N 371.780 2.635 30 40 FFEB COCc1cc(C)n(CC(=O)Nc2ccc(C(C)C)cc2)c(=O)c1C#N 409368500 ZCUPVUXBFCZOQK-UHFFFAOYSA-N 353.422 2.937 30 40 FFEB Cc1nn(C)c(C)c1OCC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 505941883 FFDUIBAERBRGQG-CQSZACIVSA-N 366.343 2.816 30 40 FFEB Cc1cccc(-n2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)n2)c1 256047433 MLVDQUBMLJRTEH-UHFFFAOYSA-N 358.449 2.770 30 40 FFEB COc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1OC 1041742 HDJCSRADKSNHGQ-LICLKQGHSA-N 354.815 2.670 30 40 FFEB COc1ccc(OC)c([C@H]2C(C(C)=O)=C(O)C(=O)N2Cc2ccco2)c1 1097769 MPMCQJAIXAANJV-KRWDZBQOSA-N 357.362 2.781 30 40 FFEB COc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 5629735 PQIRLPCQGVQCNR-LBPRGKRZSA-N 354.362 2.744 30 40 FFEB Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccco2)s1 13722235 JZEOUSICITZRLB-GFCCVEGCSA-N 357.347 2.815 30 40 FFEB COc1ccc(OC)c(/C=C/C(=O)c2cccc(NS(C)(=O)=O)c2)c1 58161642 XTZNJFNENAYFDD-VQHVLOKHSA-N 361.419 2.971 30 40 FFEB COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1C[C@H](C)C[C@@H](C)C1 12808095 OTBPOSDEPPIZPW-HUUCEWRRSA-N 360.502 2.930 30 40 FFEB CC[C@H]1CCc2nc(SCC(=O)N3CCC[C@H]3C(=O)O)c(C#N)cc2C1 12858153 YPQJWJYQLXSLER-LRDDRELGSA-N 373.478 2.636 30 40 FFEB Cc1cccc([C@H]2C3=C(Nc4c2c(=O)[nH]c(=O)n4C)c2ccccc2C3=O)c1 3646437 NPDKYWWYKNKHRD-HNNXBMFYSA-N 371.396 2.547 30 40 FFEB CC(=O)O/N=C(Nc1ccccc1)/C(=N/OC(C)=O)Nc1ccccc1 6186358 FXELGPMNFMAOEI-UHFFFAOYSA-N 354.366 2.964 30 40 FFEB Cc1nc(C)c(S(=O)(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)s1 95462106 QFEXZEUGYUCCRG-UHFFFAOYSA-N 373.463 2.500 30 40 FFEB N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCOc2ccccc21 89853237 HYNZFRODSCNUJZ-UHFFFAOYSA-N 359.389 2.581 30 40 FFEB C=CCNC(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1ccccc1Cl 257258646 KUXOEYSELFIZDN-PBHICJAKSA-N 350.846 2.568 30 40 FFEB N#Cc1ccnc(N2CCN(C(=O)Nc3nc4ccccc4s3)CC2)c1 25234163 OKWXQAGNQSLAIK-UHFFFAOYSA-N 364.434 2.917 30 40 FFEB O=c1c(C(F)(F)F)cccn1C/C(O)=N/c1nc(-c2ccccc2)n[nH]1 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COC(=O)c1cc(NC(=O)[C@](C)(C#N)c2ccc(Cl)cc2)cnc1OC 225961212 UJGXXWAGCNBXIB-GOSISDBHSA-N 373.796 2.950 30 40 FFEB O=C(NCC#Cc1cccc(F)c1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 669926475 URODDOHILGEBLS-QGZVFWFLSA-N 371.456 2.658 30 40 FFEB N#Cc1ccccc1NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 5154136 LMRNTFKPLDLCDA-UHFFFAOYSA-N 367.430 2.584 30 40 FFEB C=CCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N=C1O 17123740 AQEUNUMFCNNMOF-DHZHZOJOSA-N 358.448 2.930 30 40 FFEB COc1ccc2nc(N=C3NCN([C@@H]4CCCC[C@@H]4C)CN3)nc(C)c2c1 19332620 BRMXTQROGDLYIB-SCLBCKFNSA-N 368.485 2.923 30 40 FFEB CN1/C(=C\C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C(C)(C)c2ccccc21 18100854 GTTYTSMXEOJSSD-OJTJRJJXSA-N 364.445 2.818 30 40 FFEB N#CCOc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)cc1 40130664 YNFCHLPWJMDNDG-CYBMUJFWSA-N 371.828 2.887 30 40 FFEB CCOC(=O)C1=C(C)N(c2cc(C)on2)C(=O)N[C@@H]1c1cccc(C#N)c1 24441661 LBQDYSJXPMCUED-QGZVFWFLSA-N 366.377 2.963 30 40 FFEB CC(=O)[C@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 118929731 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CC1=C(C(=O)OCCC#N)[C@@H](c2cccc([N+](=O)[O-])c2)C([N+](=O)[O-])=C(C)N1 39400673 LCGNJEFUQJRJFH-OAHLLOKOSA-N 372.337 2.521 30 40 FFEB biogenic COC(=O)COC(F)(F)[C@@H](F)OC(F)(F)C(F)(F)C(F)(F)F 1772820760 WAVLQWDNFRYPBA-BYPYZUCNSA-N 356.112 2.871 30 40 FFEB CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCC#N)ccc1C 3492049 HTPWUMXDUXXBPR-UHFFFAOYSA-N 358.419 2.891 30 40 FFEB Cc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCCN(C)C)o1 20219553 WAKFALAIJRJHID-QGZVFWFLSA-N 369.421 2.513 30 40 FFEB Cc1cc2n/c(=N\C(N)=N\C(=O)NC3CCCCC3)[nH]c(C)c2cc1C 1840867 CNXMLWKLOHBPKF-UHFFFAOYSA-N 354.458 2.746 30 40 FFEB COc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(Br)c1O 4675297 PVQPDDHTGGJUEX-FRKPEAEDSA-N 367.159 2.913 30 40 FFEB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(C#N)ccc1F 10925620 PITRTAKADYMSKD-UHFFFAOYSA-N 359.426 2.510 30 40 FFEB C=CCOc1ccc(/C=C2\SC(=S)N(N3CCOCC3)C2=O)cc1 13477952 NNNBOIKCPUTZTJ-QINSGFPZSA-N 362.476 2.700 30 40 FFEB CCn1c(S[C@H](C#N)Cc2ccc(C)cc2)nnc1N1CCOCC1 7789210 BNMAKOWDCPSQTD-INIZCTEOSA-N 357.483 2.670 30 40 FFEB C=CCNC(=O)CN[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 16695464 CBCJJCWHJSLCIM-HXUWFJFHSA-N 354.450 2.879 30 40 FFEB CC(C)Oc1ccc([N+](=O)[O-])cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409407943 OELLNIUQMXVUOI-MWDDYTRKSA-N 369.377 2.523 30 40 FFEB N#Cc1nn(-c2ccc(F)cc2)nc1N1CCN(c2ccccc2F)CC1 256047901 PFSLWLJYEMZULO-UHFFFAOYSA-N 366.375 2.744 30 40 FFEB COC(=O)[C@@H](CS)NC(=O)OCC1c2ccccc2-c2ccccc21 198057997 KZRRJSFOJTUXHR-QGZVFWFLSA-N 357.431 2.997 30 40 FFEB Cc1cc2c(=O)n(C)c(SCC(=O)Nc3ccccc3C#N)nc2s1 5017157 IFEOFRHDALUWCU-UHFFFAOYSA-N 370.459 2.906 30 40 FFEB CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C(=O)OC(C)(C)C 575625241 OTCMJBQDBKYNKK-UHFFFAOYSA-N 365.235 2.747 30 40 FFEB O=C(O)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 19368571 CURUIGXVWHIAID-KRWDZBQOSA-N 369.348 2.879 30 40 FFEB C=CCOc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)cc1 101294789 YHJBVLSWZJUAOT-AEFFLSMTSA-N 366.348 2.683 30 40 FFEB N#Cc1ccc(OCCOC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 12818836 CIBPDQLTYFRXFG-UHFFFAOYSA-N 364.401 2.916 30 40 FFEB N#CCc1ccccc1CC(=O)OC[C@@H]1CC(=O)N(Cc2ccccc2)C1 95468015 LXEPLXNBVXALJW-GOSISDBHSA-N 362.429 2.887 30 40 FFEB COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(/C=N/NC(N)=S)o1 408972978 JEOXQEHFLAIRAJ-OMCISZLKSA-N 354.775 2.684 30 40 FFEB C=CCc1cc(/C=C2\S/C(=N/C)N(C)C2=O)ccc1OCC(=O)OCC 408846177 IRLSFTFSRDHFMI-NIPZQEADSA-N 374.462 2.889 30 40 FFEB Cc1noc(C)c1CCC(=O)N1CCC(Oc2ccc(C#N)cn2)CC1 90607615 KKZANOINZNFZMZ-UHFFFAOYSA-N 354.410 2.561 30 40 FFEB C=CCNC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 14397519 YCVGRYFOFGPHET-UHFFFAOYSA-N 365.282 2.842 30 40 FFEB Cc1csc([C@@H](C#N)C(=O)COC(=O)/C=C/c2ccccc2[N+](=O)[O-])n1 8344202 RLJOXLRBICHMDS-YBJDMEARSA-N 371.374 2.793 30 40 FFEB Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@@H]1CC(=O)N(C(C)C)C1 102125986 ZXCPWXBZVXZXEQ-UKRRQHHQSA-N 351.406 2.625 30 40 FFEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2cccnc2)/C1=C(\O)c1ccco1 102487993 GKETVWPTZSJNSW-HVESIFNPSA-N 361.357 2.692 30 40 FFEB C[C@@]1(c2ccc(F)cc2)NC(=O)N(CCOc2cccc(C#N)c2)C1=O 47354397 OKSZFUQPATTYHX-IBGZPJMESA-N 353.353 2.543 30 40 FFEB CN1CCN(c2nc(-c3ccccn3)nc(-c3ccccc3)c2C#N)CC1 1393443 KMCRARWODUWCSO-UHFFFAOYSA-N 356.433 2.829 30 40 FFEB CN(C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)C1(C#N)CCC1 58430467 DOYMFXNVTUCCLY-UHFFFAOYSA-N 361.392 2.722 30 40 FFEB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccc(C#N)cc1)C2=O 3321667 FIUOZIPVILHHIR-XCLFUZPHSA-N 368.437 2.634 30 40 FFEB C[C@H](OC[C@@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc(Cl)s1 69282576 RYYCXHXHSJJGGS-IUCAKERBSA-N 353.849 2.631 30 40 FFEB CCc1ccccc1N=C[C@@H]1C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 408538047 YQCBPFVULSWDDK-MRXNPFEDSA-N 365.389 2.859 30 40 FFEB CC(=O)NCCC/C(O)=N/S(=O)(=O)c1cc(C(C)(C)C)ccc1C 48471644 CTMHMTKHKZLVDT-UHFFFAOYSA-N 354.472 2.854 30 40 FFEB N#C[C@H](C(=O)CCN1C(=O)CCc2ccccc21)c1ncc(F)cc1F 1263664985 QEDKCTSNVRIAKU-CQSZACIVSA-N 355.344 2.906 30 40 FFEB N#Cc1ccc(N2CC(n3nc(-c4ccc(Cl)cc4)ccc3=O)C2)nc1 1775973074 HFSSZTQRDDDEAC-UHFFFAOYSA-N 363.808 2.892 30 40 FFEB CCC/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(OC)c(Cl)c2)S1 5870195 HZYHIGNTANLWHX-LBPRGKRZSA-N 355.847 2.675 30 40 FFEB Cc1nn(CCC#N)c(C)c1CCC(=O)NCCCN1CCC(C)CC1 30565001 XHWGFLNHJMHVQY-UHFFFAOYSA-N 359.518 2.584 30 40 FFEB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)C=CC(=O)[C@H]12 4277021 DCGCFQBJRLWZID-ZTCHHREXSA-N 372.031 2.588 30 40 FFEB CCOc1cc(C#N)ccc1Oc1ccc(S(=O)(=O)N2CCCC2)cn1 12555059 KVTBMSWBXOTJPQ-UHFFFAOYSA-N 373.434 2.929 30 40 FFEB COc1cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)ccc1OCC#N 6544794 VCZOASLKDWYARH-GORDUTHDSA-N 364.357 2.825 30 40 FFEB Cc1cccc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 6867149 VSKNPUATEXAHBD-BJMVGYQFSA-N 371.458 2.912 30 40 FFEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(C)o3)[C@@H]2c2cccnc2)no1 102482108 XQQAILFBQIPCTN-UYTDBDHRSA-N 365.345 2.906 30 40 FFEB N#CCc1ccc(OCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 46027748 PAQVRVYVNPTCHB-UHFFFAOYSA-N 363.461 2.912 30 40 FFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCCOc1ccccc1 9317009 ZHDYUGZAHKNITB-UHFFFAOYSA-N 367.449 2.771 30 40 FFEB COc1ccc(/N=C\c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 409220477 AHRJSOQTVNAHIY-STZFKDTASA-N 354.406 2.683 30 40 FFEB CSc1nnc(CCCNC(=O)c2cccc(C#N)c2)n1CC(C)C 61085284 CKORLLNAIYYYOA-UHFFFAOYSA-N 357.483 2.890 30 40 FFEB N#C[C@H](NC(=O)c1cc2n(n1)CCCO2)c1ccc(OC(F)(F)F)cc1 577043513 WYIQLNFQZQGUTC-ZDUSSCGKSA-N 366.299 2.559 30 40 FFEB CO[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1C 96105156 ZZYBLQIVVTUVAR-QGZVFWFLSA-N 371.824 2.963 30 40 FFEB CSc1ccccc1C(=O)NCC#CCOc1ccc2c(c1)OCO2 90730843 GRDLMTVKEPFIHG-UHFFFAOYSA-N 355.415 2.949 30 40 FFEB CC(C)(C)OC(=O)N1CCC(C=O)(NC(=O)OCc2ccccc2)CC1 390822707 HKAQQDIGCZZMDH-UHFFFAOYSA-N 362.426 2.881 30 40 FFEB N#Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1 1101233 LXHOUGMVGGRXGR-UKTHLTGXSA-N 351.362 2.529 30 40 FFEB CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=C1CCCCCC1 5719575 SZTNNTYESHJWPU-UHFFFAOYSA-N 354.432 2.967 30 40 FFEB C=C(Cl)CSc1nnc2n(CCCOC)c(=O)c3ccccc3n12 12046764 IMHHILKHUNJCBV-UHFFFAOYSA-N 364.858 2.925 30 40 FFEB N#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 3609096 ZKAHQOXAKLNYRU-UHFFFAOYSA-N 355.419 2.595 30 40 FFEB Cc1sc2nc(SCC(=O)NC3(C#N)CCCC3)nc(N)c2c1C 12540229 SLDQIKRRSZNSSV-UHFFFAOYSA-N 361.496 2.935 30 40 FFEB C[C@@H](OC(=O)c1cccc(C[S@](C)=O)c1)C(=O)Nc1cccc(C#N)c1 10778492 SCZZGOHEYVDYFP-ZBSNKRKSSA-N 370.430 2.621 30 40 FFEB COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(CCc3ccccc3)c2)c1 3350575 AYZDBKVSVQYLHX-UHFFFAOYSA-N 374.396 2.908 30 40 FFEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccccn4)[C@H]3[C@@H]3O[C@]132 100777540 HBHDWNFMXMZZLP-ALVUKDRUSA-N 356.466 2.697 30 40 FFEB biogenic Cc1ccc(-n2nnnc2SCC(=O)Nc2sccc2C#N)c(C)c1 5414261 SQJLNDNRLIFBJF-UHFFFAOYSA-N 370.463 2.943 30 40 FFEB CN(Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1cccc(C#N)c1 7216835 LSVXPGHSCNKMQQ-UHFFFAOYSA-N 352.362 2.980 30 40 FFEB N/C(Cn1cccn1)=N/OCc1cc(Br)cc2cccnc12 95965859 HBHCBCLEBSZAPT-UHFFFAOYSA-N 360.215 2.683 30 40 FFEB C=CCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2F)c1 408551757 MIVGBMJRCCOCMW-UHFFFAOYSA-N 364.398 2.551 30 40 FFEB N#Cc1ccccc1OCC(=O)N1N=C2CCCC[C@@H]2[C@@]1(O)C(F)(F)F 408562760 BHHDULGEISYOSW-BLLLJJGKSA-N 367.327 2.576 30 40 FFEB C=CCOc1cccc(CN(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 223726059 FHWAUOFWLDKMBN-UHFFFAOYSA-N 362.407 2.980 30 40 FFEB C[C@@H](CNc1oc(/C=C/c2ccc(F)cc2)nc1C#N)N1CCOCC1 1775977222 XAXPCAYITBRFOI-GBXSZLQWSA-N 356.401 2.988 30 40 FFEB COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]1CC[C@]1(O)[C@H](O)[C@]3(C(C)C)O[C@@H]3C[C@@H]12 5103195 IQTQXFZDFSEPKD-VLICXQJASA-N 366.498 2.671 30 40 FFEB CN(CN(C)/N=C/c1cccc([N+](=O)[O-])c1)/N=C\c1cccc([N+](=O)[O-])c1 4887436 DOWPVCSHTXJOQX-VHVWWYSBSA-N 370.369 2.692 30 40 FFEB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CS/C(N)=N/C1CCCC1 29474171 IHNYVEPOBADQRH-GFCCVEGCSA-N 360.483 2.741 30 40 FFEB Cc1noc(C)c1S(=O)(=O)/N=C(\O)c1ccc(OCC2CC2)cc1 65764145 IFXPYFAMXDMUPJ-UHFFFAOYSA-N 350.396 2.774 30 40 FFEB N#Cc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 7059841 ULQXOKHFKZHDJD-UHFFFAOYSA-N 361.854 2.723 30 40 FFEB C#CCOC(=O)CCc1nnc(-c2cc(F)ccc2Br)o1 72284564 NMHWWHQZVLPCNR-UHFFFAOYSA-N 353.147 2.747 30 40 FFEB Cc1noc([C@@]23CCN(C)C[C@@H]2CN(c2ccc(C#N)c(Cl)c2)C3)n1 685940727 SGQZYCURIIGMIF-RDTXWAMCSA-N 357.845 2.613 30 40 FFEB CCOc1ccc2nc(NC(=O)C(=O)[C@H](C#N)CC(C)(C)C=O)sc2c1 5962352 SGVGPNDCXOUEIX-NSHDSACASA-N 373.434 2.958 30 40 FFEB C=CCc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(OC)c1O 8108916 PORYOKHTPMOVHO-LFIBNONCSA-N 350.374 2.591 30 40 FFEB C[C@](O)(C#Cc1ccccc1)CN[C@H](Cc1c[nH]c2ccccc12)C(=O)O 3168840 BKXXFEZVQGBLIP-IRLDBZIGSA-N 362.429 2.556 30 40 FFEB CCS(=O)(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(C#N)c1 58165977 QNBMMHALXJTTEJ-ZDUSSCGKSA-N 358.419 2.758 30 40 FFEB CCOc1ccc(N=C[C@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408528044 AQCAAOXVZTZHEH-MGBSGCIJSA-N 369.421 2.671 30 40 FFEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)c(Cl)c1 5486517 FOXJHMGGKLLKQQ-TWWIOWFMSA-N 372.899 2.660 30 40 FFEB CC(C)Oc1ccc(C(=O)O)cc1NS(=O)(=O)c1cccc(C#N)c1 75109652 LMEFRFDAZNEICP-UHFFFAOYSA-N 360.391 2.844 30 40 FFEB COc1cc(/C=N\N2C(=O)CSC2=S)ccc1OCc1ccncc1 409349487 PQJZSXOMVWTBDW-OCKHKDLRSA-N 373.459 2.863 30 40 FFEB N#Cc1cc2cc3c(cc2nc1SCC(=O)N1CCCCC1)OCO3 35313620 IZLHCLNOPBYHHS-UHFFFAOYSA-N 355.419 2.940 30 40 FFEB COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@@H](C(F)(F)F)[C@@H]1C 527448162 FYYOFNWORFUDNL-CMPLNLGQSA-N 369.343 2.695 30 40 FFEB Cc1csc(S(=O)(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c1 528552440 KZNYBUKZVBCFSR-UHFFFAOYSA-N 362.476 2.912 30 40 FFEB C=CCN1C[C@H]2CN(C(=O)c3cnoc3C)CC[C@@]2(c2ccccc2)C1 251997516 LHFQJSWEJIARBD-RXVVDRJESA-N 351.450 2.885 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(OC)c(OC)c2)cc1 13042833 COERLNZQBKEWMB-KRWDZBQOSA-N 369.373 2.578 30 40 FFEB biogenic N#Cc1ccsc1NC(=O)CN1CCC(C(=O)N2CCCCCC2)CC1 8325087 DSZBLOCQBLOGFO-UHFFFAOYSA-N 374.510 2.673 30 40 FFEB C#CCOc1cccc(CN2C[C@H]3CCC[C@H](C2)C3N2CCOCC2)c1 100769023 CZLIPYPWHAEPOG-WOJBJXKFSA-N 354.494 2.631 30 40 FFEB Cc1cc(C)n2nc(SCC(=O)Nc3ccc(C#N)c(Cl)c3)nc2n1 3341463 FBWDRXNVEFDIQH-UHFFFAOYSA-N 372.841 2.997 30 40 FFEB CO[C@H]1O[C@@]23CCC4=CC(=O)CC[C@]41[C@H]2CC[C@]1(C)[C@@H](C(=O)CO)CC[C@H]13 118939898 OZBRSASHLPSDOA-FBYKMOGESA-N 374.477 2.801 30 40 FFEB C#CCN(C(=O)NC(=S)c1ccccc1)c1ccc(C(=O)OC)cc1 408732390 QMXNZZISAUGXKZ-UHFFFAOYSA-N 352.415 2.998 30 40 FFEB Cc1cccc(N2CCN(CCCNC(=O)c3ccc(C#N)cc3)CC2)c1 32824346 KNWIMOWNDWPWAT-UHFFFAOYSA-N 362.477 2.809 30 40 FFEB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)C(=O)O)cc1 218403451 QDOYOONKAUQSQX-SCTDSRPQSA-N 355.415 2.783 30 40 FFEB N#Cc1ccc(CN2CCN(C(=O)CCOc3cccc(F)c3)CC2)cc1 32084160 VBDYAQBRBXTWEB-UHFFFAOYSA-N 367.424 2.811 30 40 FFEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C 32506630 UYVYPCMBXZHVQX-WPIBOPBSSA-N 366.508 2.787 30 40 FFEB Cc1nc(=NC(=O)c2c(F)cc(F)cc2F)n(-c2ccc(C#N)cc2)[nH]1 1776002430 TWVJWHMTWZBFGT-UHFFFAOYSA-N 357.295 2.539 30 40 FFEB N#Cc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 205808501 SDKILOYDASSGMP-XNTDXEJSSA-N 355.419 2.607 30 40 FFEB Cc1cccc(-n2nnnc2S[C@H](C)C(=O)NC2(C#N)CCCCC2)c1 22123929 LNSCXAJUJRDKCB-CQSZACIVSA-N 370.482 2.794 30 40 FFEB Cc1cc(C)n(CCc2nc3c4ccccc4nc(SCC#N)n3n2)n1 2969155 UTFMFYOJIOPXDZ-UHFFFAOYSA-N 363.450 2.949 30 40 FFEB O=C1C[C@@H](/C(O)=N/c2nc(C(F)(F)F)n[nH]2)CN1c1ccccc1F 40071133 CKRKUWFDONMRQG-SSDOTTSWSA-N 357.267 2.604 30 40 FFEB CCOC(=O)CN(CC(C)C)C(=O)/C=C/c1ccc(OCC#N)c(OC)c1 32915656 QZKPAEBWWUUMST-VQHVLOKHSA-N 374.437 2.658 30 40 FFEB CCOC(=O)c1csc(N/N=C/c2cc(OC)c(OC)c(OC)c2)n1 4475486 HFSSWWMHAGKXEL-CAOOACKPSA-N 365.411 2.792 30 40 FFEB CC(=O)c1ccc(N/N=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc1 4616814 KYGMXMNVRZQULT-JZJYNLBNSA-N 365.349 2.988 30 40 FFEB COc1ccc(NC(=O)[C@](C)(C#N)c2ccccc2)cc1C(=O)N(C)C 225960716 OCZFASJRJVFZTF-HXUWFJFHSA-N 351.406 2.817 30 40 FFEB C=CCNC(=O)CCCOc1nn(C)c2ccc(Br)cc12 226865169 INQWIQZDIYRSOS-UHFFFAOYSA-N 352.232 2.797 30 40 FFEB CN(C[C@H]1CCCOC1)C(O)=Nc1cnn(C/C(O)=N/C2CCCC2)c1 330012874 LGWDDJVBFWNYCC-CQSZACIVSA-N 363.462 2.686 30 40 FFEB Cn1c(Cc2ccccc2)c(C(=O)/C=C\c2ccccc2)c(=O)n(C)c1=O 5707079 MTVARCZPJJPNRA-YPKPFQOOSA-N 360.413 2.571 30 40 FFEB CCc1ccccc1N1/C(=N/C(=O)C(C)C)S[C@H]2CS(=O)(=O)C[C@H]21 16741018 RAYFDGAOQZDYMO-MPOGACDISA-N 366.508 2.506 30 40 FFEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1c(C)cccc1CC 16741119 ZZKLTXOGZYBTEF-NERIXLHVSA-N 366.508 2.569 30 40 FFEB COc1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)ccc1O 1465982 VKFBLXIXDJCVER-AWQFTUOYSA-N 355.419 2.933 30 40 FFEB N#Cc1ccc(C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1 31186361 RJUZJPIABGKUPY-UHFFFAOYSA-N 373.456 2.995 30 40 FFEB N/C(=N\OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1 50512907 AXJVGTKYPXSOAL-UHFFFAOYSA-N 354.775 2.585 30 40 FFEB Cc1c([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc(C#N)n1C 32814649 GFVQCONQIFIFBM-KXBFYZLASA-N 350.422 2.951 30 40 FFEB Cc1nn(C)c(C)c1CCC(=O)NCCSCc1ccccc1C#N 32862227 DYYXNNOJELXWPF-UHFFFAOYSA-N 356.495 2.891 30 40 FFEB CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cn1 59577478 WJIRNRBOGWBRPI-AWEZNQCLSA-N 351.328 2.848 30 40 FFEB Cc1cccc(N2/C(=N\C(=O)C(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c1 101312345 GQXSFVCKKRVXRC-KRGDBVFUSA-N 366.508 2.643 30 40 FFEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](F)[C@]2(O)C(=O)CO 118927084 OYOTUJJSZZYQPO-NSHPWUEQSA-N 364.457 2.759 30 40 FFEB C[C@H](C/C(O)=N/S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccncc1 84636813 JYNIPHYJXKKLPO-GFCCVEGCSA-N 363.395 2.970 30 40 FFEB C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cnccn1 2395552 ATMGJAKGVHUJJB-UHFFFAOYSA-N 370.413 2.791 30 40 FFEB CCc1ccc(N(C(C)=O)c2nc(Cn3cnc(C#N)n3)cs2)cc1 14143866 HHXMGYVDOKXDJP-UHFFFAOYSA-N 352.423 2.902 30 40 FFEB C=C(C)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 9304575 HDTVNMLAKMRKNO-UONOGXRCSA-N 356.900 2.991 30 40 FFEB C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N2CCOCC2)cc1 5621161 AWTONNZGNQENJU-OAHLLOKOSA-N 351.406 2.801 30 40 FFEB O=C(O)[C@@H](Cc1ccccc1)NC(=O)C(F)(F)C(F)(F)C(F)(F)F 3852350 WQIUWPXBEHWYBX-MRVPVSSYSA-N 361.213 2.631 30 40 FFEB biogenic Cc1ccc(C)c(S(=O)(=O)NCC#CCN2CCc3ccccc3C2)c1 75165083 FSWNFADLQLWLKE-UHFFFAOYSA-N 368.502 2.643 30 40 FFEB CC(=O)NCc1ccc(C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 1776007805 XXPSBWXFMHMFJK-QGZVFWFLSA-N 372.274 2.631 30 40 FFEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)c(OC)c1OC 18195823 ZHVZDLILLLPSJM-ZDUSSCGKSA-N 371.393 2.706 30 40 FFEB C=CCn1c(=O)c(C(=O)NCc2cccc(OC)c2)c(O)c2ccccc21 12414901 FNSAGANGABKHTK-UHFFFAOYSA-N 364.401 2.832 30 40 FFEB COc1cc([C@H]2Nc3nonc3NC3=C2C(=O)CCC3)cc(OC)c1OC 12389025 HPJOUHRNKPTSQK-OAHLLOKOSA-N 372.381 2.681 30 40 FFEB COCc1cc(C)nc(N/N=C\c2cc(OC)c(OC)c(OC)c2)c1C#N 32115702 OCJKOSOASXGXIK-FBHDLOMBSA-N 370.409 2.880 30 40 FFEB CCOCCOc1c(Cl)cccc1NCC(=O)N[C@@](C)(C#N)C1CC1 58224502 ZEMPDJONZGIOLH-SFHVURJKSA-N 365.861 2.976 30 40 FFEB Cc1nc2ccccc2nc1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 58215357 LOILPFPOQFYACM-NRFANRHFSA-N 371.400 2.777 30 40 FFEB C=CCOc1ccc(/C=C2\C(=O)N(CCCOC)C(C)=C2C(=O)OC)cc1 4169920 ACTODMXPTMGYMI-JXAWBTAJSA-N 371.433 2.961 30 40 FFEB CCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)c2ccc(C)o2)nc1 6408126 QMMNINVGEUSLCJ-QGOAFFKASA-N 350.444 2.850 30 40 FFEB N#Cc1c(COC(=O)COc2ccccc2[N+](=O)[O-])cn2ccccc12 14857930 LHNHRSDTRVOZQV-UHFFFAOYSA-N 351.318 2.841 30 40 FFEB Cc1ccc(-c2csc(C3=C(N)N(C[C@H]4CCCO4)CC3=O)n2)cc1 6941407 DZMWAGALCNAFQR-CQSZACIVSA-N 355.463 2.810 30 40 FFEB C=CCN1C(=O)CCC[C@]12CCCN(S(=O)(=O)c1ccc(C)cc1)C2 96229966 RVJCLHZGBPULFY-LJQANCHMSA-N 362.495 2.717 30 40 FFEB COc1ccc(CCNC(=O)NCC#CCN(C)Cc2ccccc2)cc1 85470646 FYSPOEXZPDKREA-UHFFFAOYSA-N 365.477 2.672 30 40 FFEB N#Cc1c[nH]c(=Nc2cccc([C@@H]3CCCN3Cc3cn[nH]c3)n2)s1 585293806 MHHIOPIMXXQVSK-HNNXBMFYSA-N 351.439 2.635 30 40 FFEB C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 75572723 JVELAMSYEQPKAF-GOSISDBHSA-N 358.401 2.846 30 40 FFEB C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(c2oc(C3CC3)nc2C#N)CC1 40087078 RPFGGJPKXAFBFN-LBPRGKRZSA-N 370.457 2.987 30 40 FFEB COc1ccc(C(=O)C[n+]2ccc(-c3nnc4n3CCCCC4)cc2)cc1 1831868 IJQBMKKBISINMM-UHFFFAOYSA-N 363.441 2.851 30 40 FFEB COc1ccc(N2C(=O)[C@H](CC(=O)O)S/C2=N/N=C\c2ccco2)cc1 100142825 ODWNBXVKCZGQQF-KKHNOTLFSA-N 373.390 2.601 30 40 FFEB N#Cc1cc([N+](=O)[O-])cn(Cc2ncc(-c3ccc(Cl)cc3)o2)c1=O 8726640 JSYLYDZNTRPMLO-UHFFFAOYSA-N 356.725 2.985 30 40 FFEB COc1ccc(-n2cccc2C=Nn2c(O)nc3ccccc3c2=O)cc1 409358486 UVWRWCSGGXQEOY-UHFFFAOYSA-N 360.373 2.784 30 40 FFEB CC(C)Oc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c(O)c1 408586925 DBYUGWQZRAKSPL-SYZQWAOXSA-N 366.417 2.566 30 40 FFEB N#Cc1ccccc1Cn1nc2n(c1=O)C(=O)N(c1ccc(Cl)cc1)C2 1547201028 JGDOTXHBBSJAPJ-UHFFFAOYSA-N 365.780 2.606 30 40 FFEB O=C(Cn1ccc2ccccc21)NCC#CCN1CCc2ccccc2C1 75164955 VQTMDQHDPJUBBX-UHFFFAOYSA-N 357.457 2.819 30 40 FFEB C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H]([C@@H]1CC=CCC1)[C@@H](C#N)C(=O)N2 227279012 GXNCZYQSDDZJRI-TUVASFSCSA-N 367.453 2.680 30 40 FFEB CC(C)N1CCC(=NNS(=O)(=O)c2ccc(Br)cc2)CC1 5909743 NYLUYVCNRGOWNV-UHFFFAOYSA-N 374.304 2.588 30 40 FFEB CS/C(=N/N=C(/C)c1ccccn1)N1CCN(c2ccccn2)CC1 17126126 BPWYMNLLHXKAAT-ZCZLTNQUSA-N 354.483 2.742 30 40 FFEB Cc1nc2ccccc2c(=O)n1CC1CCN(c2ncccc2C#N)CC1 1888876374 SZJXVISURZRNAM-UHFFFAOYSA-N 359.433 2.888 30 40 FFEB CCOC(=O)/C(=N\O)C1=NC2(CCCC2)Cc2cc(OC)c(OC)cc21 858881 MHODLHYYIKJSIX-FXBPSFAMSA-N 360.410 2.755 30 40 FFEB biogenic Cc1cccc(N2CCN(Cc3nc4ccccc4c(=O)n3CC#N)CC2)c1 12534286 NHMGHCRCBNWENL-UHFFFAOYSA-N 373.460 2.551 30 40 FFEB C=CC/N=C1/NC(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S1 7850735 IOOWKGWRNQAGIJ-NSHDSACASA-N 357.357 2.808 30 40 FFEB Cc1ccc(OCC/C(O)=N/S(=O)(=O)c2c(C)nn(C)c2C)cc1C 48535061 VLFLHHNHMCHUSK-UHFFFAOYSA-N 365.455 2.768 30 40 FFEB COc1ccccc1N/N=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C 4714125 PBOICVFIAROBDS-KNTRCKAVSA-N 353.338 2.794 30 40 FFEB Cc1ccc2nc3c(cc(C#N)c(=O)n3-c3cccc(Cl)c3)c(=O)n2c1 6809443 BTCGGWUNHGAQOW-UHFFFAOYSA-N 362.776 2.832 30 40 FFEB CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2ccccc2SCC#N)C1 7436635 MRAIJRLTTSWCJK-CQSZACIVSA-N 361.467 2.516 30 40 FFEB CCOc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1OC 408728261 JEOITWJKOSYKMF-OQDYNDGYSA-N 354.406 2.625 30 40 FFEB C#CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1 408938375 QGIGVOGYAHMOSH-AQTBWJFISA-N 374.396 2.982 30 40 FFEB N#Cc1ccc(CN2CCCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 39935292 FICIMXSCGGANEH-UHFFFAOYSA-N 366.440 2.844 30 40 FFEB O=C[C@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCO2 218187037 XFKTYRPAPSMLMI-XOKHGSTOSA-N 364.806 2.824 30 40 FFEB C[C@@H](C(=O)Nc1ncc(Cc2c(F)cccc2F)s1)n1cnc(C#N)n1 1131266365 ANUCWKRBMRUQTI-VIFPVBQESA-N 374.376 2.675 30 40 FFEB N#Cc1nccnc1O[C@H]1CCN(C(=O)/C=C/c2ccccc2Cl)C1 225798252 PIODIWAGTPAASI-GJBLVYBDSA-N 354.797 2.695 30 40 FFEB CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccccn2)cc1 808061 LUWCOMWXHQHAPJ-KRWDZBQOSA-N 366.373 2.747 30 40 FFEB N#Cc1c(F)cccc1NCCNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 58356394 HLLYPDHLXMYFQK-GOSISDBHSA-N 370.359 2.558 30 40 FFEB N#Cc1c(N)n(CCNC(=O)c2ccc(F)cc2)c2nc3ccccc3nc12 2302955 KSGFBKHGWOCWQE-UHFFFAOYSA-N 374.379 2.607 30 40 FFEB Cc1ccc(-c2nc(C#N)c(N3CCN(Cc4nonc4C)CC3)o2)cc1 28405917 CQKZLAVQKQSPDM-UHFFFAOYSA-N 364.409 2.535 30 40 FFEB COc1cccc(/C=N/n2c(=O)cn[nH]c2=S)c1OCc1ccccc1 5182327 XPGGJUFAHUCYGB-KEBDBYFISA-N 368.418 2.771 30 40 FFEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2ccc(C)s2)nc1 6509901 MAXXBEYMROXXII-LICLKQGHSA-N 352.485 2.928 30 40 FFEB C=CCOc1ccc(CN(C)C(=O)c2ccc(S(C)(=O)=O)cc2)cc1 8293152 GQBBQUOBCVMUSH-UHFFFAOYSA-N 359.447 2.927 30 40 FFEB CCOc1cccc2c(C)nc(Nc3nc(C)c(CC#N)c(=O)[nH]3)nc12 20673248 IOQZRBQMFPLKFR-UHFFFAOYSA-N 350.382 2.538 30 40 FFEB CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccc(F)cc1 98053352 AENIESBZDOKKIF-PXNMLYILSA-N 350.415 2.796 30 40 FFEB C=CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1 222772307 CRRWTBHBHPQASZ-KRWDZBQOSA-N 352.434 2.785 30 40 FFEB N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)NCCc2ccccc2)CC1 252548754 QKBAYTOILPSKOX-QAQDUYKDSA-N 365.437 2.580 30 40 FFEB COc1ccc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)c3ccccc3)S2)cc1 4304733 IJLPBKPYUPZXPA-XNHPLOEXSA-N 367.430 2.890 30 40 FFEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccn2)cc1 17044844 UQCAIOVPBMIOEJ-GOSISDBHSA-N 365.433 2.530 30 40 FFEB C=CCN1C(=O)/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)NC1=S 1201097 FTLNEJOSOWSWNH-XBXARRHUSA-N 357.218 2.512 30 40 FFEB O=C(ON1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)C1CC1 1383901 XSDIOOVZYIOZGZ-CSODTCANSA-N 359.381 2.747 30 40 FFEB Cc1nnc(N[C@H](C)c2ccc(N3CCN(C)CC3)cc2)c(C#N)c1C 57142533 NMUNEELEVLJQQU-MRXNPFEDSA-N 350.470 2.890 30 40 FFEB COCc1cccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 47011131 TWNUTZHDTVEOIL-UHFFFAOYSA-N 351.450 2.909 30 40 FFEB C/N=C1\S/C(=C\c2ccccc2I)C(=O)N1C 408551579 NWYSLOQGSACGCO-ZHMDIZEESA-N 358.204 2.823 30 40 FFEB Cc1ccc2c(c1)/C(=N/Nc1nnc3c4ccccc4n(C)c3n1)C(=O)N2C 6547030 NQOJVGYWILKAOB-QJOMJCCJSA-N 371.404 2.618 30 40 FFEB CCOC(=O)c1sc(NC(=O)COc2ccc(C#N)cc2)c(C#N)c1C 14596754 HGMMHMHNQMCJFP-UHFFFAOYSA-N 369.402 2.994 30 40 FFEB N#Cc1ccc(OS(=O)(=O)c2ccc3c(c2)OCCO3)c(Cl)c1 15335557 ITYKUQZEOJUWDC-UHFFFAOYSA-N 351.767 2.751 30 40 FFEB C=CCOc1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 408627362 ZOVCVIBUKOIEAB-UHFFFAOYSA-N 360.435 2.900 30 40 FFEB CN(C)[C@@H]1CCC[C@H]1NC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1776007652 RFNWNNGPDRKXRY-HZPDHXFCSA-N 365.327 2.737 30 40 FFEB COc1cccc(N2CCN([C@@H](C)C(=O)Nc3ccc(C#N)cc3)CC2)c1 57693008 VWCMQEDAQIDBOH-INIZCTEOSA-N 364.449 2.716 30 40 FFEB CN(CCC(=O)Nc1sccc1C#N)Cc1ccc2c(c1)OCCO2 21472420 GSWQIVCYYKQQIM-UHFFFAOYSA-N 357.435 2.852 30 40 FFEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccnc1)c1cccs1 1413267 SEAZCJBPBKSKAM-BBRMVZONSA-N 370.430 2.900 30 40 FFEB COc1ccc(/C=N\NC2=NC(=O)[C@H](c3ccccc3)S2)c(OC)c1 9189503 GKFVHMZMICJZDI-YLRSXTQRSA-N 355.419 2.998 30 40 FFEB CN1/C(=C\C2=Cc3ccccc3OC2)C(=O)c2ccccc2S1(=O)=O 13656371 IEAAFTSPRIEEPI-WJDWOHSUSA-N 353.399 2.863 30 40 FFEB N#CCc1ccc(OC[C@H](O)Cn2cnc3cc(Cl)ccc3c2=O)cc1 14137763 HTSOQLNLKXUPBQ-OAHLLOKOSA-N 369.808 2.556 30 40 FFEB C=CCNc1nnc(S[C@H](C)C(=O)NC(=O)Nc2ccccc2)s1 9498506 GDHGZGRCIRBWHE-SNVBAGLBSA-N 363.468 2.965 30 40 FFEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cnc(Cl)c(Cl)c1 39587409 DWNPTHPVEICNLM-PSLIRLAXSA-N 358.225 2.988 30 40 FFEB CC(C)(C)c1nnc(N/N=C/c2ccc(Br)cc2)[nH]c1=O 4136554 FOJHYEBNJBVNLA-LZYBPNLTSA-N 350.220 2.671 30 40 FFEB CCOC(=O)CN1C(=O)S/C(=C/c2cn(CC#N)c3ccccc23)C1=O 15229434 IMOIEPCVQJRPDI-OQLLNIDSSA-N 369.402 2.764 30 40 FFEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1C 5516120 FSJBRAVKEVQARD-BREGNPSQSA-N 372.899 2.660 30 40 FFEB NS(=O)(=O)c1ccc(N/N=C/c2cccc3ccccc23)c([N+](=O)[O-])c1 4934783 WPJVHJKDUVNSNH-YBFXNURJSA-N 370.390 2.841 30 40 FFEB COc1cc(/C=N/Nc2nnnn2-c2cccc3ccccc23)ccc1O 4380208 OYPYDZDWDRKXAT-UDWIEESQSA-N 360.377 2.976 30 40 FFEB C=CCNC(=O)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 4941789 WPLOMEZBUNLKDY-UHFFFAOYSA-N 362.842 2.513 30 40 FFEB C=CCOC[C@@H]1CN(C(=O)c2cccc(Cl)c2)Cc2nnn(CC)c21 2055750937 OXVGCGXSQZYBFY-AWEZNQCLSA-N 360.845 2.894 30 40 FFEB COc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C)nn32)c(OC)c1 22608096 WHVLAOQBCZODTB-MLCYQJTMSA-N 354.410 2.872 30 40 FFEB CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1ncccc1C#N 59577459 WENRYQRIMKUFAQ-AWEZNQCLSA-N 351.328 2.848 30 40 FFEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@H](F)[C@@]2(O)C(=O)CO 118927088 OYOTUJJSZZYQPO-PPZLUTABSA-N 364.457 2.759 30 40 FFEB O=c1c(Br)c(N/N=C/c2ccccn2)cnn1-c1ccccc1 4342136 WIGVJYBYYJOFRM-VXLYETTFSA-N 370.210 2.836 30 40 FFEB O=[N+]([O-])c1ccc(N/N=C/c2cc3c(cc2Br)OCO3)nc1 4739617 DQEHNQOUZVAXLD-FZSIALSZSA-N 365.143 2.927 30 40 FFEB CCCc1cc(=O)[nH]c(N/N=C/c2ccc(OC)c(Br)c2)n1 4749518 KXASXGNXBAPAQZ-RQZCQDPDSA-N 365.231 2.940 30 40 FFEB C[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)N(C)C1(C#N)CCCCC1 7061801 UELZHKKWPKNSGF-CYBMUJFWSA-N 354.410 2.793 30 40 FFEB N#CCCN(Cc1ccco1)C(=O)CSc1nnc2n1CCCCC2 7280622 HHCOJGRUWYXIRR-UHFFFAOYSA-N 359.455 2.632 30 40 FFEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(OC)c1O 20754465 PZQQJKVSPBSBCK-LZYBPNLTSA-N 362.298 2.672 30 40 FFEB COC(=O)c1ccc(/C=N/O[C@H](C)C(=O)NCCc2ccccc2)cc1 15367958 FSTCQJCZIUCEJG-QQHUYRGFSA-N 354.406 2.571 30 40 FFEB C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O 5355881 KUGNSEAHJVSMAJ-IRXDYDNUSA-N 351.450 2.663 30 40 FFEB biogenic,in-vitro N#Cc1cc2c(=O)n3ccccc3nc2n(Cc2ccc(Cl)cc2)c1=N 101264498 HYBINSTZIZSCMR-UHFFFAOYSA-N 361.792 2.702 30 40 FFEB N#Cc1cccc(S(=O)(=O)NCc2ccc(OCC(F)(F)F)cc2)c1 23440874 SKXLWUZFDPXHBV-UHFFFAOYSA-N 370.352 2.978 30 40 FFEB O=C1C(=O)N(CCO)[C@H](c2ccccc2)/C1=C(\O)c1ccc(Cl)cc1 102866226 UNDSGSNUVKTHLR-IBOXJLQUSA-N 357.793 2.754 30 40 FFEB N#Cc1ccc(/C=C/C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)cc1 58193498 OIUFBVZNXLVFKZ-JNCYCUAHSA-N 373.456 2.921 30 40 FFEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O 12747589 MCZTWCGZQNDDNB-QFIPXVFZSA-N 373.412 2.697 30 40 FFEB Cc1ccccc1C(=O)O/N=C(/C(N)=O)P(=O)(OC(C)C)OC(C)C 2270508 ASTKOJHWIZDRSZ-SDXDJHTJSA-N 370.342 2.994 30 40 FFEB COc1ccc([C@@H]2C3=C(Nc4[nH]c(N)nc(=O)c42)c2ccccc2C3=O)cc1 2431374 FALNPNWWOLJMAK-CQSZACIVSA-N 372.384 2.526 30 40 FFEB N#Cc1ccc(S(=O)(=O)/N=C(\O)c2csc(-c3ccco3)n2)cc1 48503313 CKACVVMVSGETIT-UHFFFAOYSA-N 359.388 2.968 30 40 FFEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccncc4)[C@H]3[C@@H]3O[C@@]132 3999460 AHOMDMPWVTZNJU-NWXZCIDWSA-N 356.466 2.697 30 40 FFEB biogenic Cc1nc(NCCNC(=O)c2ccco2)c(C#N)c2c1COC(C)(C)C2 13510043 UHZPLYPMBYLDKF-UHFFFAOYSA-N 354.410 2.548 30 40 FFEB Cn1c(C2=C(N)N(Cc3ccccc3Cl)CC2=O)nc2ccccc21 5182979 DGTQBEXPQYBTKK-UHFFFAOYSA-N 352.825 2.939 30 40 FFEB Cc1cc(OC(=O)N2CCOCC2)cc2c1C(=O)/C(=C/c1ccncc1)O2 6669553 PURVLUBZQNEKHO-BOPFTXTBSA-N 366.373 2.837 30 40 FFEB CC(C)Cn1c(SC/C(O)=N/c2ncn[nH]2)nc2ccsc2c1=O 33175272 PRWNTEUEHYCHNS-UHFFFAOYSA-N 364.456 2.612 30 40 FFEB N#Cc1cc2cc3c(cc2nc1NCCCNC(=O)c1ccco1)OCO3 35311328 UYJMMHHFRUETQB-UHFFFAOYSA-N 364.361 2.660 30 40 FFEB C#CC[C@H](CC(F)(F)F)NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 583651300 KITJDJYECREYNH-WDEREUQCSA-N 374.309 2.778 30 40 FFEB O=C1C(Cl)=C(Nc2ccc(S(=O)(=O)O)cc2)C(=O)c2ccccc21 1677548 MLYBSSZMMDAHIS-UHFFFAOYSA-N 363.778 2.875 30 40 FFEB C[C@H]1S/C(=N/S(=O)(=O)c2cccs2)N(c2ccccc2)C1=O 6930037 SRYVDBSYPNMBBH-KDGRRTAISA-N 352.462 2.961 30 40 FFEB COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(Cl)c1OC 7945947 APHDHQZGWHOSKE-VCHYOVAHSA-N 368.842 2.978 30 40 FFEB C=CCOc1ccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 8558842 ULWSWMXLVNKASC-UHFFFAOYSA-N 360.435 2.900 30 40 FFEB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccc(C#N)cc1)C2=O 3321668 FIUOZIPVILHHIR-RNODOKPDSA-N 368.437 2.634 30 40 FFEB C=CCSc1nnc2n(C)c(=O)c3c4c(sc3n12)COC(C)(C)C4 2372322 RMIOFOWGNRUJOR-UHFFFAOYSA-N 362.480 2.772 30 40 FFEB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1sccc1C#N 17306033 PPDCBMPBTMLAGA-ZDUSSCGKSA-N 366.450 2.832 30 40 FFEB CC(C)[C@H](NC(=O)c1ccco1)C(=O)O/N=C(\N)c1ccccc1Cl 8986256 FZHIMSAMYSFHIT-AWEZNQCLSA-N 363.801 2.551 30 40 FFEB COc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(C)c(C)c3)C2=O)c1 408533804 KTGLKSOWDGUVOK-KRWDZBQOSA-N 365.389 2.914 30 40 FFEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)OC 408914007 WYWURMKPOMOYCQ-ODLFYWEKSA-N 373.365 2.991 30 40 FFEB CN1/C(=C2/C(=N)N(NC(=O)c3ccccc3)CC2=O)Sc2ccccc21 334157783 PPZVHAHOOPWOAR-OBQKYKCTSA-N 364.430 2.647 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 102805028 PEGCOXLRPHPLMA-GHNGSUTGSA-N 367.401 2.763 30 40 FFEB N#CCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)CCC3)c1 28730136 FIQVXFRHGZEPGM-UHFFFAOYSA-N 369.446 2.620 30 40 FFEB C#Cc1cccc(NC(=O)[C@H]2CS[C@@H](Cc3ccc(F)cc3)C(=O)N2)c1 25614148 ZLZTYTSIJXXPSL-MSOLQXFVSA-N 368.433 2.588 30 40 FFEB COc1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)c(O)c1 47139379 GUNRBEFEWAFWFD-UHFFFAOYSA-N 351.406 2.625 30 40 FFEB C=C(C)Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(OC)c(OC)cc21 71283847 IKXTYMVYHLERIA-UHFFFAOYSA-N 366.417 2.805 30 40 FFEB COc1cc(/C=N/N2CCN(C)CC2)ccc1OC(=O)c1ccccc1F 7930184 UXVYBCDICBQUAN-HYARGMPZSA-N 371.412 2.635 30 40 FFEB C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(N)cc(N)n1 95953365 BLGWSZISUHDCFQ-SNVBAGLBSA-N 374.495 2.766 30 40 FFEB COc1cccc(/C=C\c2c(C(=O)O)nn(-c3ccccc3)c(=O)c2C#N)c1 409194242 IMXGEOKPVVXYGE-KHPPLWFESA-N 373.368 2.981 30 40 FFEB O=C1C=C/C(=N/S(=O)(=O)c2ccc(Br)cc2)C=C1Cl 16669808 LAIKEJYOSGRMAJ-DHDCSXOGSA-N 360.616 2.840 30 40 FFEB CC(C)CN(CC(C)C)C(=O)COC(=O)c1ccc(NC(=O)CC#N)cc1 3429185 UOVIUSDAXAGIGV-UHFFFAOYSA-N 373.453 2.836 30 40 FFEB N#C[C@H]1C(=O)N=C(N2CCC(Cc3ccccc3)CC2)NC12CCCC2 10382049 PVEMCGDSQIPDIL-SFHVURJKSA-N 350.466 2.879 30 40 FFEB N#Cc1ccc(NC(=O)CCN2CCN(CCc3cccs3)CC2)cc1 58178788 CLJIBMNULOBNES-UHFFFAOYSA-N 368.506 2.809 30 40 FFEB CCn1cc(C#N)c(=O)n(Cc2cc3ccc(C)c(C)c3nc2Cl)c1=O 36797691 JVHSEJXYXFPMRA-UHFFFAOYSA-N 368.824 2.768 30 40 FFEB C[C@H]1CCCCN1C(=O)CO/N=C(\N)c1cc(Br)cs1 48640097 SZQMKMDYFIONOH-VIFPVBQESA-N 360.277 2.549 30 40 FFEB COc1cccc(N=C[C@H]2C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 408530880 FYWYUYNKAOGBPX-HNNXBMFYSA-N 351.362 2.605 30 40 FFEB COc1ccccc1-n1nc(C(=O)O)c(/C=C/c2ccco2)c(C#N)c1=O 72334085 DSTBOQRFKWAFOH-CMDGGOBGSA-N 363.329 2.574 30 40 FFEB N#CC1(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)CCCC1 58227456 JRXVDLFEUFXTCO-UHFFFAOYSA-N 360.845 2.996 30 40 FFEB Cc1ccccc1N1/C(=N\C(=O)C(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@@H]21 101312005 IIJHTVDNQDWORU-GGNAOWBESA-N 366.508 2.643 30 40 FFEB CC(C)c1noc(CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 27107008 ZSLCMPXWIHWIRJ-UHFFFAOYSA-N 368.397 2.635 30 40 FFEB N#Cc1ccccc1OCC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 58365467 UVBGTWSNQBVDDE-OAQYLSRUSA-N 364.401 2.976 30 40 FFEB COc1ccc(/C(N)=N/OCc2cn3cc(Cl)ccc3n2)c(OC)c1 67770237 AWEVJEUXFBWYKW-UHFFFAOYSA-N 360.801 2.842 30 40 FFEB Cc1ccc(N2C(=O)[C@H](/C=N\c3ccc(C#N)cc3)C(=O)NC2=S)cc1 408763669 UFKQYEKWOSZNTO-NBZOHKLQSA-N 362.414 2.633 30 40 FFEB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2ccc(C#N)cc2F)C1 548337702 RCGHVCPHLSFEII-SFHVURJKSA-N 358.442 2.700 30 40 FFEB N#Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 46739287 UESCQWNMSNEJQI-INIZCTEOSA-N 369.446 2.598 30 40 FFEB C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)c1 23433152 WQIDFCXZHUWQRU-WBVHZDCISA-N 362.495 2.803 30 40 FFEB O=S(=O)(N/N=C/c1cccc(F)c1)c1ccc(Br)cc1 3287436 GEXZDQMYAYCQOH-CXUHLZMHSA-N 357.204 2.901 30 40 FFEB C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2c(C)cc(C)cc2C)c1 58053393 JODIKUQHSOCUFU-UHFFFAOYSA-N 370.474 2.534 30 40 FFEB COc1cc(Cl)c(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1OC 2807615 NWERSAKIXHFBNP-VCHYOVAHSA-N 368.842 2.978 30 40 FFEB N#Cc1ccc(NCC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)cc1 64722944 QVNLMVAILTVCGF-UHFFFAOYSA-N 363.417 2.797 30 40 FFEB CS/C(N)=N/N=C/c1cc(Br)cc(Br)c1O 8664876 XQMJSDXMUFHKER-YIXHJXPBSA-N 367.066 2.929 30 40 FFEB CC1=CC=CN2C(=O)C(=C/Nc3cccc(Cl)c3)/C(=N\CCO)N=C12 255961402 PNUHNCYHUIVQRB-GCDPZAPFSA-N 356.813 2.741 30 40 FFEB Cc1c(C(=O)N2CCN(c3ccsc3C#N)CC2)ccc2cncn12 1118782343 YYXOHEYZFHEDMA-UHFFFAOYSA-N 351.435 2.538 30 40 FFEB COc1ccc2c(c1)sc(=NN=C1C=CC(=[N+](C)CCC#N)C=C1)n2C 1570003489 PFKDXKIIQFQLNH-UHFFFAOYSA-N 366.470 2.628 30 40 FFEB C=CCN1CC[C@]2(CN(C(=O)c3ccc4c(ccn4C)c3)C[C@H]2C)C1=O 1614937020 FIKCMWLGVFTVMU-QVKFZJNVSA-N 351.450 2.675 30 40 FFEB C#Cc1cccc(NC(=O)CS[C@@H]2CC(=O)N(c3ccccc3)C2=O)c1 101136448 BPPYPHUWOCLRQP-QGZVFWFLSA-N 364.426 2.672 30 40 FFEB CCn1nc([N+](=O)[O-])c([C@H](C#N)c2nc3ccccc3o2)c(Cl)c1=O 3276218 ILKNRVNWRSSEIU-QMMMGPOBSA-N 359.729 2.621 30 40 FFEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1c(C)cccc1C 101309892 KRSNXWFYRSSFDA-WTIFFKHKSA-N 366.508 2.705 30 40 FFEB C=CCNC(=O)CN1c2ccc(CC)cc2-c2ccccc2S1(=O)=O 11118049 VWLJHNGCISCFTO-UHFFFAOYSA-N 356.447 2.727 30 40 FFEB N#Cc1ccc(CN2CCC3(CC2)C[C@H](NC(=O)C2CC2)CCO3)cc1 108533677 MYBOUNDRXCMIKA-LJQANCHMSA-N 353.466 2.598 30 40 FFEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)[C@H]1c1ccco1 4427125 WHVCJBLUQCCOBF-GROYHEBESA-N 372.396 2.792 30 40 FFEB CC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CC#N)CC3)cc1 65563655 BWLPCPSAWJVHDW-UHFFFAOYSA-N 355.419 2.576 30 40 FFEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1c(C)cc(C)cc1C 5377847 IQPSRUQXEKMBSI-LKXWOGMASA-N 366.508 2.623 30 40 FFEB N#Cc1ccc(N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)nc1 14181696 KEQWVYQAJHXCGL-UHFFFAOYSA-N 350.378 2.537 30 40 FFEB COc1cc(/C=N/c2c(C)[nH]c(=O)[nH]c2=O)ccc1OCc1ccccc1 32099598 VUNFQQBKNCZBAF-SRZZPIQSSA-N 365.389 2.710 30 40 FFEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccn1 19938509 LRUNKFUXPZSYRH-GOSISDBHSA-N 365.433 2.612 30 40 FFEB N#Cc1ccc(N2CC[C@@H](OC(=O)Cc3c[nH]c4ccccc34)C2=O)cc1 84590540 JKKSOXDJWZUFLT-LJQANCHMSA-N 359.385 2.931 30 40 FFEB N#Cc1ccnc(N2CCN(C(=O)c3cccc(-n4cccc4)c3)CC2)c1 30937648 ADSCONJEJBBJEF-UHFFFAOYSA-N 357.417 2.706 30 40 FFEB Cc1ccc(OCCCN2C(=O)/C(=N\O)c3cc([N+](=O)[O-])ccc32)cc1 46084778 JZRNDPYUALUQQF-ZPHPHTNESA-N 355.350 2.897 30 40 FFEB Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1CCOCCC#N 583037613 LILAVZBRXBDLSX-LJQANCHMSA-N 372.444 2.932 30 40 FFEB CC1(C)OB([C@H]2CCN(C(=O)COc3cccc(C#N)c3)C2)OC1(C)C 1776007806 XYXAQSMPGLEGDK-HNNXBMFYSA-N 356.231 2.632 30 40 FFEB C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 5408879 MQKFSVOZEQUNRN-ZBEGNZNMSA-N 372.808 2.694 30 40 FFEB C=CCOc1ccc(C(=O)N2CCC(c3n[nH]c4nccnc34)CC2)cc1 19016090 YQGRHAAEWYRGQC-UHFFFAOYSA-N 363.421 2.938 30 40 FFEB Cc1ccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2CCCN(C)C)o1 104228749 UXGLPOUZYDPUOZ-UYTDBDHRSA-N 358.394 2.554 30 40 FFEB N#Cc1nc(C2CC2)oc1N1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 40154040 FNLWNKGSMCMWEU-UHFFFAOYSA-N 371.372 2.793 30 40 FFEB CN(C)S(=O)(=O)c1cccc(C(=O)/C=C/c2cccc3c2OCCO3)c1 54803175 YHSFBPFCTRMLBF-MDZDMXLPSA-N 373.430 2.604 30 40 FFEB C=CCN(Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1)Cc1cccs1 57754089 GYUVCDRMAWQQQK-UHFFFAOYSA-N 369.446 2.959 30 40 FFEB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1sccc1C#N)C2=O 9387699 ZJYWPHDRFZRSMO-ADLMAVQZSA-N 374.466 2.695 30 40 FFEB C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC)c2ccc(C)cc2)cc1 12811122 AJMFHWWEYIRGDE-IBGZPJMESA-N 370.474 2.788 30 40 FFEB CCc1ccc2nc(NCCNC(=S)NCCCOC)c(C#N)cc2c1 20151216 PHVBIEOKMFIWGP-UHFFFAOYSA-N 371.510 2.581 30 40 FFEB COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccc(OC)c1 8743842 QOXBDTPFVFTYPS-KRWDZBQOSA-N 371.389 2.903 30 40 FFEB C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21OCC1=O 4705939 NVDNCLODVOXYKU-BULBTXNYSA-N 362.441 2.919 30 40 FFEB biogenic,in-vitro COC[C@]1(C#N)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218154026 NIVOSQLITCKFAG-CEXWTWQISA-N 371.414 2.511 30 40 FFEB COC(=O)c1ccc(NC(=S)N/N=C/c2ccc(N(C)C)cc2)cc1 6027034 WIUBKYYMAGGKDT-XDHOZWIPSA-N 356.451 2.860 30 40 FFEB O=c1c(Br)c(N/N=C/c2cccnc2)cnn1-c1ccccc1 4342137 MMBRNMAGUYJKIA-VXLYETTFSA-N 370.210 2.836 30 40 FFEB CCCOC(=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(=O)OCCC 5431068 NIIFTSQJRPHRCJ-UHFFFAOYSA-N 374.566 2.606 30 40 FFEB CC(C)(C)C(=O)Nc1ccc(N2CCN(c3ncccc3C#N)CC2)cn1 2298049957 XZMCJNVTUAYYFY-UHFFFAOYSA-N 364.453 2.659 30 40 FFEB O=C1C=C/C(=N\Nc2cc3c(cc2[N+](=O)[O-])OCCO3)c2ccccc21 17835928 FHXSDBFQCOBSLF-CPNJWEJPSA-N 351.318 2.935 30 40 FFEB N#C[C@@H](C(=O)[C@H]1COCCO1)c1nc2cc(C(F)(F)F)ccc2s1 41548294 XHLAEALAOXNCSM-GXSJLCMTSA-N 356.325 2.907 30 40 FFEB N#Cc1ccc(/C=C(/C(=O)N2CCOCC2)c2nc3ccccc3[nH]2)cc1 6649126 HLZNPCOSHXQRDA-GHRIWEEISA-N 358.401 2.834 30 40 FFEB CCCCN1C(=O)N[C@H](c2ccc(C#N)cc2)C(C(=O)OCCOC)=C1C 8427666 BBZZTLSDDQOJGH-GOSISDBHSA-N 371.437 2.888 30 40 FFEB N#Cc1cccc(C(=O)N2CC3(C2)OCC[C@@H]3COCC2CCCC2)c1 306132382 LGZVIFVGXJYZEO-LJQANCHMSA-N 354.450 2.996 30 40 FFEB C=CCOc1ccc(/C=C2/NC(=O)N(CC)C2=O)cc1Br 409240936 VOSAGCINILRWIH-FMIVXFBMSA-N 351.200 2.927 30 40 FFEB CC1(C)OC[C@H]2C[C@@]21NC(=O)N=c1ccn(-c2ccc(Cl)cc2C#N)[nH]1 529053585 JVOICCFCAYRLKQ-KZULUSFZSA-N 371.828 2.508 30 40 FFEB COC(=O)c1ccc(NC(=S)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 1086037 BZLZNUDLBNGGFS-LICLKQGHSA-N 358.379 2.702 30 40 FFEB N#Cc1c(CCCNc2nc(C(F)(F)F)nc3ccccc23)n[nH]c1N 12603604 KSBKGTXFGXFGFW-UHFFFAOYSA-N 361.331 2.870 30 40 FFEB C/C(=N\N=C1\S[C@H](CC(=O)O)C(=O)N1c1ccccc1)c1ccco1 4480849 LPWZTQQUBFICOZ-YXRMGYSCSA-N 357.391 2.983 30 40 FFEB N#C[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 101253648 XWNJGDKDMIFFFC-FUMNGEBKSA-N 355.397 2.721 30 40 FFEB CCSc1nc2n(n1)[C@@H](c1cnn(C)c1)C1=C(CC(C)(C)CC1=O)N2 36621259 QRDGPHLBQWEJOV-AWEZNQCLSA-N 358.471 2.782 30 40 FFEB CC(C)CCn1c(SCC(=O)NCCC#N)nc2ccccc2c1=O 5491918 ZUNKPQTYIJYNIH-UHFFFAOYSA-N 358.467 2.565 30 40 FFEB C=CCc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(OC)c1OCC 409085772 DGXNOIQTDZJJCP-XNTDXEJSSA-N 360.435 2.929 30 40 FFEB C[C@]1(/N=C(/O)C2CCN(C(=O)COc3ccccc3)CC2)CCCOC1 329140550 FXTXADBGMBEXMZ-FQEVSTJZSA-N 360.454 2.830 30 40 FFEB N#Cc1ccc(OC[C@@H]2CN(Cc3ccccc3)Cc3cncn3C2)nc1 96209811 MHQHUODZLVTKJI-LJQANCHMSA-N 359.433 2.861 30 40 FFEB O=C(NCC#CCOc1ccc2c(c1)OCO2)Nc1c(F)cccc1F 90730941 QKRFAIUXKQVCCQ-UHFFFAOYSA-N 360.316 2.897 30 40 FFEB Cc1ccc(NC(=O)[C@H]2CC(=O)N=C(N/N=C\c3ccco3)S2)cc1C 13136461 SMESDSSDEALFHS-SMLKNPDNSA-N 370.434 2.847 30 40 FFEB C=CCN1C(=O)/C(=C\c2cccn2-c2ccc(OC)cc2)C(=O)N=C1S 1278593 JMMIMFRDMQSJCE-VBKFSLOCSA-N 367.430 2.710 30 40 FFEB N#C[C@H]1CN(C(=O)NCCOc2ccccc2-c2ccccc2)CCO1 106335758 STICVOUKANWBOA-KRWDZBQOSA-N 351.406 2.666 30 40 FFEB C[C@@H]1CCN(C(=O)COC(=O)CNc2ccc(C#N)cc2)[C@H]2CCCC[C@@H]21 84697826 PCWGDZWRAKKZBL-LZQZEXGQSA-N 369.465 2.941 30 40 FFEB CC[C@@H]1CCc2nc(SCC(=O)N3CCC[C@H]3C(=O)O)c(C#N)cc2C1 12858144 YPQJWJYQLXSLER-WBMJQRKESA-N 373.478 2.636 30 40 FFEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H]2CCCN(c3ncccn3)C2)c(C)c1 48476230 UAJYCTQUUAPYII-OAHLLOKOSA-N 374.466 2.655 30 40 FFEB N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)COc2ccccc2F)CC1 14157700 YTUJFAOQEVUXON-SFHVURJKSA-N 371.387 2.753 30 40 FFEB Cn1ccnc1CN1CCC[C@H]1c1cccc(N=c2[nH]cc(C#N)s2)n1 585293796 MGHONALPUWXZEG-HNNXBMFYSA-N 365.466 2.646 30 40 FFEB CC(=O)Nc1ccc(S(=O)(=O)/N=C2\C=CC(=O)c3ccccc32)cc1 18024550 YSKDJLPOIHGCTK-LVZFUZTISA-N 354.387 2.576 30 40 FFEB Cc1nc2c(c(N3CCN(c4nc5c(cc4C#N)CCCC5)CC3)n1)CCC2 1888875962 VGQQLHFHJLQWDG-UHFFFAOYSA-N 374.492 2.746 30 40 FFEB N#Cc1cc2c(nc1N1C[C@@H]3CN(c4ncccc4F)C[C@H]3C1)CCCC2 2086992615 YPZWTIPVVINUTG-IAGOWNOFSA-N 363.440 2.939 30 40 FFEB Cc1nc(OCC(=O)NC2CCCCC2)c(C#N)c2c1COC(C)(C)C2 32088231 AVCHVIQQFIMIAW-UHFFFAOYSA-N 357.454 2.941 30 40 FFEB C=CCN(CC1=C(C(=O)OCC)CNC(=O)N1)Cc1ccc(Cl)s1 23652891 GQOPACDTQMINNA-UHFFFAOYSA-N 369.874 2.520 30 40 FFEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NC[C@@H]2CCCO2)n1 10399496 CGCIMJYJBSWEPO-JTQLQIEISA-N 359.373 2.668 30 40 FFEB Cc1cccc(N2/C(=N\C(=O)CC(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 101312465 NOCJXLYVJCCLQX-NHYXNVPJSA-N 366.508 2.643 30 40 FFEB C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(C#N)c1 11460020 OQUKNKRHNPHJRL-GFCCVEGCSA-N 361.357 2.584 30 40 FFEB COc1ccccc1NC(=S)N/N=C1/C(O)=Nc2ccc([N+](=O)[O-])cc21 6566480 NXSLJTKCMNWFOD-UHFFFAOYSA-N 371.378 2.896 30 40 FFEB Cc1ccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2CCCN(C)C)cc1 6813185 WDMSLDMPIRBEQR-SELCWUDQSA-N 368.433 2.961 30 40 FFEB N#CCCNC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7790829 HIFRBGQCRBBAQP-UHFFFAOYSA-N 366.450 2.883 30 40 FFEB COc1ccccc1OCC#CCNC(=O)c1ccc(Br)o1 90610383 LASUUSVKAZMRBG-UHFFFAOYSA-N 364.195 2.863 30 40 FFEB CC1=C(NNC2C(=O)c3ccccc3C2=O)C(=O)[C@H](c2ccccc2)[C@H]1C 1554504429 LFPFWATWFZAGFU-SJCJKPOMSA-N 360.413 2.805 30 40 FFEB O=C1CO[C@H](COC(=O)c2ccccc2)C=C1OC(=O)c1ccccc1 5681548 DZROVXLEMVQGMW-INIZCTEOSA-N 352.342 2.552 30 40 FFEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)cc(C)c1 101309324 ZHRHMSXBYWSJRA-YTRIFDNDSA-N 366.508 2.705 30 40 FFEB C=CCN1CCN([C@H](c2ccc(C)cc2)c2nnnn2CCC(C)C)CC1 20141990 CADQWCZXBRYUOU-HXUWFJFHSA-N 368.529 2.921 30 40 FFEB CCOC(=O)COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1OC 4739390 FIBHEOZVAQICFN-YBFXNURJSA-N 373.365 2.991 30 40 FFEB C=CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 222987707 WJHARJLHGBPPHS-KRWDZBQOSA-N 366.461 2.957 30 40 FFEB CCOC(=O)[C@H](C#N)C(c1cc(Cl)ccc1O)[C@@H](C#N)C(=O)OCC 5326200 JVFDZIHTCPFBRW-CHWSQXEVSA-N 364.785 2.535 30 40 FFEB COc1cc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)ccc1O 4721300 BMKHPDUCOITCSC-ZDUSSCGKSA-N 358.438 2.837 30 40 FFEB N#CC1(NC(=O)CSc2nnc(NC3CC3)s2)CCCCCC1 42699638 TUYXPWVMFUOJMV-UHFFFAOYSA-N 351.501 2.937 30 40 FFEB O=C(O/N=C1\CCS(=O)(=O)c2sccc21)c1ccc(Cl)nc1 1393951 ZVFVASDFZFQQDT-MHWRWJLKSA-N 356.812 2.535 30 40 FFEB CCOC(=O)c1ccccc1NC(=O)CO/N=C/c1ccc2c(c1)OCO2 3336016 JCJIHLGJUURXFK-KEBDBYFISA-N 370.361 2.581 30 40 FFEB O=C1C=C[C@H]2[C@@H](S(=O)(=O)c3ccccc3)C[C@H]1N2Cc1cccc(F)c1 101640989 BMCMRLWGMCWDOZ-NSHGMRRFSA-N 371.433 2.750 30 40 FFEB C=CCNC(=O)[C@H](C)Sc1nnc(N2CCCC2)n1-c1ccc(C)cc1 11135423 AXOXYNORVOVWPT-HNNXBMFYSA-N 371.510 2.959 30 40 FFEB COC(=O)C1=C(C)N(c2cc(C)on2)C(=O)N[C@@H]1c1cccc(C#N)c1 12974386 XXFIINDEKOFBQB-MRXNPFEDSA-N 352.350 2.573 30 40 FFEB CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2cccc(C#N)c2)c1 7054757 TZRFFDRMXCGNRL-UHFFFAOYSA-N 357.435 2.841 30 40 FFEB N#Cc1cnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)nc1N 7461079 JMKQQUXTUPCEQE-UHFFFAOYSA-N 368.447 2.785 30 40 FFEB CC(=O)c1cccc(OC/C(O)=N/S(=O)(=O)c2ccc(C)s2)c1 84205658 PXAOOLUKKCLBJA-UHFFFAOYSA-N 353.421 2.983 30 40 FFEB CCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 32903707 AXJNDTOCRTXULY-UHFFFAOYSA-N 373.434 2.530 30 40 FFEB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)C=O)cc1 218104046 NUBHEBBYQNIHIF-CEXWTWQISA-N 355.415 2.652 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccnc1 19138768 WLPOCMLYEXBSEZ-QGZVFWFLSA-N 352.390 2.615 30 40 FFEB Nc1nnnn1/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 5589434 DLTVCDPNDYXWFM-AWQFTUOYSA-N 351.801 2.794 30 40 FFEB COc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C)nn32)cc1OC 22608105 BWZFWAVMLSCTEX-MGNBDDOMSA-N 354.410 2.872 30 40 FFEB CC1=C2[C@H]3OC(=O)[C@@H](CN4C[C@H](C)O[C@H](C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O 20114043 GDXMPYQBACNJOM-WSMXQEIESA-N 359.466 2.509 30 40 FFEB biogenic CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2O)[C@@H]1c1ccccc1 20310624 RMPWZPKOXLXJSN-SFHVURJKSA-N 366.417 2.532 30 40 FFEB C/C(CC/C(C)=N/NC(=N)c1ccccn1)=N/NC(=N)c1ccccn1 8648937 QFJHOPMKDFIXKZ-NQGGHMMCSA-N 350.430 2.539 30 40 FFEB Cc1cc(=O)c(C(=O)O[C@@H](C)C#N)nn1-c1cccc(C(F)(F)F)c1 6650693 QDUVJNCHJKGARH-JTQLQIEISA-N 351.284 2.629 30 40 FFEB CC(=O)/N=C1\NC(=O)/C(=C2/C(=O)N3c4c2cccc4[C@H](C)CC3(C)C)S1 17857578 LVLSGDDRFJZSMC-ZVNCQBAKSA-N 369.446 2.796 30 40 FFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 92573017 OLCXDUKDSMZQHV-RHSMWYFYSA-N 363.417 2.527 30 40 FFEB CCOC(=O)C1=C(C)N/C(=C/c2ccc3c(c2)OCC(C)(C)CO3)C1=O 225370325 DZEXJKNFQLMRQG-RIYZIHGNSA-N 357.406 2.834 30 40 FFEB C#CC[C@H](CC(F)(F)F)NC(=O)Cc1nnc(-c2ccccc2OC)o1 585117877 QLTXSZMZSWGVLJ-LLVKDONJSA-N 367.327 2.748 30 40 FFEB O=C1C=C[C@H](Nc2ccccc2[N+](=O)[O-])[C@H]1Nc1ccccc1[N+](=O)[O-] 5487630 AXTFFAGFVLSOTN-SUMWQHHRSA-N 354.322 2.903 30 40 FFEB O=S(=O)(N/N=C/c1ccc(F)cc1)c1ccc(Br)cc1 2757184 BXRFQKUADJPXAS-CXUHLZMHSA-N 357.204 2.901 30 40 FFEB C=CCNC(=O)C(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12 4272389 WAYDARXOSLMWDD-UHFFFAOYSA-N 367.449 2.529 30 40 FFEB C#CCN(CC(F)(F)F)C(=O)[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1 40152439 NFYDNCRNAYFZPT-CQSZACIVSA-N 352.356 2.626 30 40 FFEB CCn1cc([C@@H]2C/C(=C3/C(=O)C=C(C)OC3=O)NN2c2ccccc2)cn1 102449849 DUMTWTFYTSKFSK-PJCCXHTNSA-N 364.405 2.643 30 40 FFEB Cc1csc[n+]1C/C(=N/O)c1ccc(I)cc1 104249127 PGUULARDWFTZJP-OWBHPGMISA-O 359.212 2.827 30 40 FFEB CCc1noc([C@@H](C)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 36392508 WSIDNCBAWIRRNO-GFCCVEGCSA-N 368.397 2.635 30 40 FFEB COc1ccc(-c2nnc(SCC(=O)N[C@@](C)(C#N)C(C)C)o2)cc1 2624544 KYFIKIYVSAYTBV-KRWDZBQOSA-N 360.439 2.892 30 40 FFEB CCOC(=O)c1sc(NC(=O)/C=C/c2cnn(C)c2C)c(C#N)c1C 2769301 FMGGRXWYQKPZBL-VOTSOKGWSA-N 358.423 2.799 30 40 FFEB C=CCN1CCN([C@@H](c2ccc(C)cc2)c2nnnn2CCC(C)C)CC1 20141986 CADQWCZXBRYUOU-FQEVSTJZSA-N 368.529 2.921 30 40 FFEB Cc1csc(=O)n1CC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 12801062 DQXRMTXHGDOHCS-UHFFFAOYSA-N 356.432 2.852 30 40 FFEB N#C[C@H]1C(=O)N=C2Nc3ccccc3N2C12CCN(Cc1ccccc1)CC2 20673382 BZCFCDMPMGNTGV-KRWDZBQOSA-N 371.444 2.989 30 40 FFEB Cc1nnc(=O)[nH]c1N/N=C/c1cccc(OCc2ccc(F)cc2)c1 4422780 NXHUJVIUWZNVMN-KEBDBYFISA-N 353.357 2.637 30 40 FFEB Cc1occc1-c1nnc(SCC(=O)Nc2ccc(C#N)cc2)n1C 7236689 IGFZWZHHMHNHBT-UHFFFAOYSA-N 353.407 2.986 30 40 FFEB C=CCNC(=O)[C@H](C)OC(=O)c1cc(Cl)c(OC(C)C)c(OC)c1 7480002 PXPYZTDWAUKYJH-NSHDSACASA-N 355.818 2.983 30 40 FFEB C=CCNC(=O)CN1CCN(Cc2csc(C3CCCCC3)n2)CC1 95949335 DVIRMLSVUSUZDF-UHFFFAOYSA-N 362.543 2.611 30 40 FFEB CCOC(=O)c1sc2ncn(Cc3ccc(C#N)cc3)c(=O)c2c1C 22034765 UMWXYBJMSOGMMJ-UHFFFAOYSA-N 353.403 2.863 30 40 FFEB O=C1c2ccccc2C(=O)N1OS(=O)(=O)c1cccc2ccccc12 35685927 SENGYXCIOMPOAX-UHFFFAOYSA-N 353.355 2.756 30 40 FFEB Cc1ccc(N2CCC[C@H](/N=C(/O)N3CCCC[C@@H]3c3cc[nH]n3)C2)nn1 329461862 SXGCWZQFSONLIR-DOTOQJQBSA-N 369.473 2.618 30 40 FFEB COc1cccc(N2CCN(CC(=O)N(C)C3(C#N)CCCCC3)CC2)c1 57480059 AEQBXIXUNPAUPW-UHFFFAOYSA-N 370.497 2.502 30 40 FFEB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(C#N)c(Cl)c1)C2=O 4287702 PRYOFMOWZDNKBL-UHFFFAOYSA-N 374.828 2.651 30 40 FFEB N#CC1(C(=O)N2CCO[C@@H]3C[C@@H](COCc4cccnc4)C[C@H]32)CCCC1 1565554458 RQDUREFSTLKBQL-IPMKNSEASA-N 369.465 2.688 30 40 FFEB N#Cc1ccc(CN2CCN(c3ccc(NC(=O)C4CC4)nc3)CC2)cc1 2298053042 PLXOHGYLVJUNKY-UHFFFAOYSA-N 361.449 2.624 30 40 FFEB N#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)c2ccccc2)CC1 40030699 BAPKEBCUAUFRBI-UHFFFAOYSA-N 354.431 2.842 30 40 FFEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccco1 102498131 LMEWIDNHLGEGNQ-IBOXJLQUSA-N 358.394 2.636 30 40 FFEB N#Cc1cccc(S(=O)(=O)Nc2cc3c(cc2Cl)OCCO3)c1 9050003 LMQVTLNMLXWJGZ-UHFFFAOYSA-N 350.783 2.784 30 40 FFEB C#CCOc1c(Cl)cc(C[C@H]2SC(=O)N(CC)C2=O)cc1OC 6952850 UFJNVMCKGRUZOF-CYBMUJFWSA-N 353.827 2.987 30 40 FFEB N#C[C@@H]1[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 101358744 XWNJGDKDMIFFFC-UAFMIMERSA-N 355.397 2.721 30 40 FFEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1 1448302 OGOMUKDRFHWVBU-INIZCTEOSA-N 373.405 2.558 30 40 FFEB Cc1ccc(N2/C(=N\C(=O)CC(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 101305773 CCYOHRGMNPFLHY-UICBKRPASA-N 366.508 2.643 30 40 FFEB Cc1ccc(-n2nnnc2SCC(=O)Nc2sccc2C#N)cc1 3498662 OBYYOGIHYNLWRG-UHFFFAOYSA-N 356.436 2.635 30 40 FFEB CN(C)S(=O)(=O)c1cccc(NC(=S)Nc2ccccc2C#N)c1 5694569 OIFGZSUBGFOWLP-UHFFFAOYSA-N 360.464 2.617 30 40 FFEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(O)cc2)cc1 19138139 JBKNSHLWIVHMJW-SCLBCKFNSA-N 367.401 2.660 30 40 FFEB COc1cc2c(cc1/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCO2 409103993 XWRITXIQUXKTQZ-APSNUPSMSA-N 360.282 2.686 30 40 FFEB N#C[C@]1(N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218599378 FNNGALRYOOUWSV-PMPSAXMXSA-N 350.802 2.640 30 40 FFEB N#Cc1nccnc1O[C@H]1CCN(C(=O)c2cc3ccccc3s2)C1 225802555 ACVNHRFBQBHYCT-ZDUSSCGKSA-N 350.403 2.856 30 40 FFEB N#CN/C(=N\c1ccccc1)S[C@H]1CC(=O)N(c2ccccc2)C1=O 13573398 PEJSHLTWPUBAHY-HNNXBMFYSA-N 350.403 2.810 30 40 FFEB C=CCN(Cc1cccs1)Cc1nnc2n(C)c(=O)c3ccccc3n12 23324354 PPQVWXSNUOORQE-UHFFFAOYSA-N 365.462 2.831 30 40 FFEB O=C1C=C[C@H]2[C@H](S(=O)(=O)c3ccccc3)C[C@H]1N2Cc1cccc(F)c1 101640986 BMCMRLWGMCWDOZ-NLWGTHIKSA-N 371.433 2.750 30 40 FFEB Cc1cc(C)cc(N2/C(=N\C(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 101309449 FXOPUXZFUCLJMD-UICBKRPASA-N 366.508 2.561 30 40 FFEB C=CCn1c(SCC(=O)N[C@@](C)(C#N)C(C)C)nnc1-c1ccncc1 2624735 JFAAKOHLYVXGRB-SFHVURJKSA-N 370.482 2.673 30 40 FFEB C=CCN(C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccccc1 13001837 WHFLPYDXPRYRFA-UHFFFAOYSA-N 353.353 2.862 30 40 FFEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)cc1C 5370113 JZQKUAAJOICTFM-WTIYMYMHSA-N 366.508 2.705 30 40 FFEB COc1ccc(/C(N)=N/O[C@@H](C)C(=O)Nc2ccccc2F)cc1OC 32718813 KSFYOISLCZBCJY-NSHDSACASA-N 361.373 2.507 30 40 FFEB C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1Br 4065319 XEBWWAYBQBKZRC-ZDUSSCGKSA-N 351.200 2.806 30 40 FFEB N#Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)O)C3=O)o2)cc1 9323560 IXJYPLUDRQNCEF-VGOFMYFVSA-N 354.343 2.939 30 40 FFEB COCc1ccc([C@H]2CCCN2C(=O)C#Cc2ccc3c(c2)OCO3)o1 97147919 JEPSSCPZQGHBMA-MRXNPFEDSA-N 353.374 2.870 30 40 FFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(Cn2cccn2)cc1 14184525 LZCWTNUFWNBNRX-MRXNPFEDSA-N 360.417 2.887 30 40 FFEB CCOC(=O)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)cc1 18195660 BWBRWFMEOQBREX-CQSZACIVSA-N 353.378 2.857 30 40 FFEB CC(C)Oc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c(O)c1 408591211 RZPXJBKHNNPOPI-KKSKEVDBSA-N 354.406 2.711 30 40 FFEB N#Cc1ccnc(OC[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1 1776000988 SPVHRJDUCGWQFU-KRWDZBQOSA-N 353.397 2.952 30 40 FFEB O/C(CN1CCCN(c2ccccn2)CC1)=N\c1nnc(C2CC2)s1 19658584 WKEPLGOIOGAYEL-UHFFFAOYSA-N 358.471 2.611 30 40 FFEB C=CCNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 19947298 MTWDLMXYQIKAQU-UHFFFAOYSA-N 358.463 2.801 30 40 FFEB Cc1cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)on1 17992254 ROVIGYJBBVEIHC-UHFFFAOYSA-N 359.407 2.981 30 40 FFEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccccn1 20233426 IJXNAKPSZKRICO-QGZVFWFLSA-N 369.421 2.595 30 40 FFEB CC1(C)CC(=O)C2=C(C1)Oc1ncn(CCO)c(=N)c1[C@@H]2c1ccccc1 101163561 UGOJFJSYMZOUSB-MRXNPFEDSA-N 365.433 2.522 30 40 FFEB C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(C)n2)ccc1Cl 12758326 BFKBNAICHDFWMS-UHFFFAOYSA-N 365.842 2.760 30 40 FFEB N#Cc1nc(COc2ccccc2Cl)oc1NCCN1CCOCC1 19973724 IOIJOSZAPFZBLY-UHFFFAOYSA-N 362.817 2.523 30 40 FFEB COC1=C[C@H](/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)CC[C@H]1O 72187471 HZSBKDOTUYISNN-HFFPUARGSA-N 372.417 2.800 30 40 FFEB N#Cc1cccnc1-n1cc(NC(=O)N2CCC[C@H]2[C@H]2CCCOC2)cn1 566186633 HSLYIFPWEKVIRP-RDJZCZTQSA-N 366.425 2.562 30 40 FFEB C#CCNC(=O)[C@H](C)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1 56155830 JYOMUYGYOPKQKT-ZDUSSCGKSA-N 369.396 2.636 30 40 FFEB Cc1csc[n+]1C/C(=N\O)c1ccc(I)cc1 16943219 PGUULARDWFTZJP-WYMLVPIESA-O 359.212 2.827 30 40 FFEB CN(C)/C=C(\C(=O)c1cc(F)cc(F)c1)c1nnnn1-c1ccccc1 4342919 LNOHNCQMXRHSDF-LFIBNONCSA-N 355.348 2.726 30 40 FFEB C=CCN1C(=O)c2ccc(C(=O)OCCOc3ccc(F)cc3)cc2C1=O 5569387 RELAOBZHUFLLDQ-UHFFFAOYSA-N 369.348 2.844 30 40 FFEB N#Cc1cccc(N2C[C@@]3(CCN(C(=O)C4CC(F)(F)C4)C3)CC2=O)c1 1565549943 KMRHOVOJRFDQSF-SFHVURJKSA-N 359.376 2.559 30 40 FFEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccccc2)cc1 19138492 QGHXVAOTRCRNLH-KBXCAEBGSA-N 351.402 2.954 30 40 FFEB O=c1[nH]ncc(N/N=C\c2c(O)ccc3ccccc23)c1Br 12374189 UMIHPKIJUVDYQL-IDUWFGFVSA-N 359.183 2.837 30 40 FFEB COc1cccc(OC)c1OC[C@H](O)CNc1c(F)cc(C#N)cc1F 58197176 GDAXQZJRHRMBPI-GFCCVEGCSA-N 364.348 2.705 30 40 FFEB N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccccc1)N1CCOCC1 29525922 RFQXQMQMURVZIJ-IBGZPJMESA-N 352.394 2.952 30 40 FFEB COc1cc([C@H]2C3=C(CCCC3=O)Nc3nc(SC)nn32)ccc1O 4436124 HTYBGDKXHQTSMA-HNNXBMFYSA-N 358.423 2.736 30 40 FFEB N#Cc1c(CCCNC(=O)c2cc(F)c(Cl)cc2Cl)n[nH]c1N 9318713 CTZFOPRYEFBPIE-UHFFFAOYSA-N 356.188 2.672 30 40 FFEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 409180012 UIPIMCFWZIABEQ-HIZMZYMTSA-N 359.769 2.779 30 40 FFEB O=[N+]([O-])c1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(O)cc1O 409034111 NDKBPAFAWGIGJS-ZUWFHJRGSA-N 365.161 2.720 30 40 FFEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(C)C 32639382 AVKIGGRLQQATAR-UICBKRPASA-N 366.508 2.821 30 40 FFEB COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C 527448163 FYYOFNWORFUDNL-JQWIXIFHSA-N 369.343 2.695 30 40 FFEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)C)cc1 101302491 ZRZODZDQTRQKGZ-UICBKRPASA-N 366.508 2.821 30 40 FFEB C[C@@H]1Cc2cc(S(=O)(=O)N(CCC#N)CC3CC3)cc(Cl)c2O1 78822742 SVTUWUKMZADWCH-LLVKDONJSA-N 354.859 2.978 30 40 FFEB N#CCCN(C(=O)COC(=O)CCOc1ccccc1)c1ccccc1 3246341 WHZPMQXODLWVGE-UHFFFAOYSA-N 352.390 2.946 30 40 FFEB Cc1ncc(CO)c(/C=N/NC(=S)Nc2ccc(Cl)cc2)c1O 6788266 MRBWERSBRZEZDE-CNHKJKLMSA-N 350.831 2.562 30 40 FFEB CCOC(=O)c1ccc(-c2ccc(/C=N/N=C3NC(=O)CS3)o2)cc1 408976344 FKEXGGCTYCFHDO-GIJQJNRQSA-N 357.391 2.676 30 40 FFEB C=CCNC(=O)c1ccc(CN(CC)S(=O)(=O)c2ccccc2)cc1 224442189 MBMZBBOSACSPPT-UHFFFAOYSA-N 358.463 2.813 30 40 FFEB N#Cc1cccc(N[C@@H]2CO[C@]3(CCN(Cc4ccc(F)cc4)C3)C2)n1 96047673 XEXRAPJTALDNQM-AZUAARDMSA-N 352.413 2.938 30 40 FFEB S=C(NCc1ccccc1)N/N=C/c1ccc(N2CCOCC2)cc1 3265613 FTYUXAYJJBJALW-RCCKNPSSSA-N 354.479 2.521 30 40 FFEB C=CCOc1ccc(/C=C/C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1 7982906 KIHRLTLAYSDPIH-ZBWUASRJSA-N 356.422 2.862 30 40 FFEB COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc([N+](=O)[O-])c1O 34133150 QHEFJRCOLUBRPQ-XDHOZWIPSA-N 357.366 2.896 30 40 FFEB C=CCN(C(=O)CN1CSCC1=O)c1nc(-c2ccccc2)cs1 14168519 RHWQNYQSOGQLAD-UHFFFAOYSA-N 359.476 2.862 30 40 FFEB COn1c(N/N=C/c2ccc(Br)cc2)nc2ccccc2c1=O 5529247 GXJKTQBPQQQNIP-VCHYOVAHSA-N 373.210 2.663 30 40 FFEB C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N2CCOCC2)cc1 5621154 AWTONNZGNQENJU-HNNXBMFYSA-N 351.406 2.801 30 40 FFEB N#Cc1c(F)cccc1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1 7906416 XPUTXUPIDOOGPF-UHFFFAOYSA-N 362.382 2.511 30 40 FFEB C=CCNC(=O)COC(=O)[C@H](C)CC(=O)c1cccc(Br)c1 95962735 KPEAFUUBGVRAPN-LLVKDONJSA-N 368.227 2.503 30 40 FFEB C#CCOc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1 409098165 NSSKERFXSWHAPG-XNTDXEJSSA-N 359.403 2.687 30 40 FFEB C=CCNC(=S)N/N=C/c1c(-c2ccccc2)nc2sc(C)nn12 41074147 VCTCUGRIFCMAIJ-VCHYOVAHSA-N 356.480 2.750 30 40 FFEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3ccc(N(C)C)cc3)cnc12 2263382 BEPOCKIPWODERE-SSDVNMTOSA-N 361.405 2.835 30 40 FFEB O=C1C=C[C@H](Nc2ccccc2[N+](=O)[O-])[C@@H]1Nc1ccccc1[N+](=O)[O-] 5487633 AXTFFAGFVLSOTN-GUYCJALGSA-N 354.322 2.903 30 40 FFEB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)c1C 4329079 PQZWWURBIQTXGH-ZDUSSCGKSA-N 353.378 2.890 30 40 FFEB C#C[C@](C)(CC)OC[C@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1 12421437 DJKCECRJBDPFIG-UYAOXDASSA-N 364.917 2.950 30 40 FFEB O=C(NCC#Cc1ccccc1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O 53221472 DUPCJERSSFRROZ-GOSISDBHSA-N 352.821 2.861 30 40 FFEB C=CC/N=C1/NC(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S1 7850737 IOOWKGWRNQAGIJ-LLVKDONJSA-N 357.357 2.808 30 40 FFEB COc1ccc(-n2ccc(/C(O)=N/c3nc(-c4ccccn4)n[nH]3)n2)cc1 55280339 FMJUCAUGAKHNSN-UHFFFAOYSA-N 361.365 2.697 30 40 FFEB N#Cc1ccc(NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1 6886594 QXYLJFXKFQHCAJ-UHFFFAOYSA-N 372.310 2.869 30 40 FFEB CN(CC(=O)Nc1ccc(CC#N)cc1)S(=O)(=O)/C=C/c1ccccc1 8126686 HUMLNCYBHPYCJC-WYMLVPIESA-N 369.446 2.624 30 40 FFEB CCc1ccc(-n2c(=C(C#N)C#N)s/c(=C\c3cccs3)c2=O)cc1 96793298 KUQBLULLSPWZBI-YVLHZVERSA-N 363.467 2.550 30 40 FFEB N#CC(C#N)=c1s/c(=C\c2ccccc2)c(=O)n1-c1ccc(Cl)cc1 96793287 YRCWPDDIBHRRDD-YVLHZVERSA-N 363.829 2.579 30 40 FFEB CCOC(=O)N1CCN(C(=O)CSc2cccc(Cl)c2C#N)CC1 95458226 ULBFFHCZLPBLSO-UHFFFAOYSA-N 367.858 2.604 30 40 FFEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(F)c1 32588269 LNSFYIIRIIQLSH-UHFFFAOYSA-N 364.398 2.551 30 40 FFEB C=CCN(Cc1ccc(C(=O)NCC)cc1)S(=O)(=O)c1ccccc1 224467392 LOYLMSRGIDIASV-UHFFFAOYSA-N 358.463 2.813 30 40 FFEB CCOc1cc([C@@H]2NC(=O)C(O)=C2C(=O)c2cccc(OC)c2)ccc1O 5408525 FWCCBCGVOBNFEK-KRWDZBQOSA-N 369.373 2.665 30 40 FFEB COC1(OC)[C@H](/C=C\c2ccc(Cl)cc2)C(C#N)(C#N)C1(OC)OC 13122221 WTXBTYXCVPLYNX-YYRKOSNBSA-N 362.813 2.995 30 40 FFEB COc1cc(/C=N/N=c2/sc3ccccc3n2C)ccc1OCCO 16942057 JPUYDBAJMCNZRK-WMNPJARVSA-N 357.435 2.554 30 40 FFEB C=CCNC(=O)CSc1nc2sc3c(c2c(=O)n1CCC)CCC3 3318095 YDCFTZURSPKSQN-UHFFFAOYSA-N 363.508 2.751 30 40 FFEB COCCCNC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n12 4269505 ZCJGCJZDEUGFRV-UHFFFAOYSA-N 368.462 2.912 30 40 FFEB N#Cc1ccc(N2C[C@@H]3CN(C(=O)Cc4ccccc4Cl)C[C@H]3C2)nc1 1888876378 UOVHYTNBSXDTBA-IAGOWNOFSA-N 366.852 2.744 30 40 FFEB COC[C@H](C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2206558 RQUZPFIJXVFSRY-GJZGRUSLSA-N 368.437 2.805 30 40 FFEB CCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccccc1)C1=C(N2)c2ccccc2C1=O 3646426 AWXNAWDPRPCBQU-OAHLLOKOSA-N 371.396 2.722 30 40 FFEB CCC/N=C1/NC(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)S1 12566275 TUTZSGAMHUCZDW-GFCCVEGCSA-N 355.847 2.675 30 40 FFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 12977266 YHYCIALVAREDMP-HUUCEWRRSA-N 361.405 2.784 30 40 FFEB N#Cc1ccccc1NC(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 12924738 ASQZMSCYMCRBKC-KRWDZBQOSA-N 362.433 2.847 30 40 FFEB C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1O 408911771 DGXOBMODELUDOP-MHWRWJLKSA-N 366.348 2.926 30 40 FFEB N#C[C@@H](C(=O)CCN1C(=O)CCc2ccccc21)c1ncc(F)cc1F 1263664984 QEDKCTSNVRIAKU-AWEZNQCLSA-N 355.344 2.906 30 40 FFEB COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC#N)ccc1O 5445623 BLQBLKPMLJFAEY-KRWDZBQOSA-N 364.357 2.503 30 40 FFEB COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(C(=O)O)cc2)cc1 20112794 PHLFNHVHYKBKEN-QGZVFWFLSA-N 367.357 2.882 30 40 FFEB biogenic CN(CCOc1ccccc1F)Cc1nc2ccccc2c(=O)n1CC#N 54530255 KRFSDGUKEDKHJA-UHFFFAOYSA-N 366.396 2.570 30 40 FFEB CC(C)C(=O)N1CCC[C@@H]1C(=O)NCCSCc1ccccc1C#N 55037598 FNGGPUCHTDDJOP-QGZVFWFLSA-N 359.495 2.555 30 40 FFEB N#Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 6887254 QPVUHMXKPMWRFB-UHFFFAOYSA-N 369.446 2.985 30 40 FFEB Cc1ccccc1OCC(=O)OCC(=O)N(CCC#N)c1ccccc1 3235613 GVSCZMXEUDCDAA-UHFFFAOYSA-N 352.390 2.864 30 40 FFEB CCc1cc(=O)n(CC(=O)Nc2cccc(C#N)c2)c(-c2ccccc2)n1 57527363 LJFWKEJCRSFARR-UHFFFAOYSA-N 358.401 2.983 30 40 FFEB Cc1ccc(NC(=O)CN(C)CCC(=O)Nc2ccccc2C#N)cc1 12793080 GFNDFBVRGFXLAH-UHFFFAOYSA-N 350.422 2.766 30 40 FFEB Cc1cc(C)cc(N2/C(=N\C(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 101309450 FXOPUXZFUCLJMD-WPIBOPBSSA-N 366.508 2.561 30 40 FFEB C=CCn1c(C)cc(-c2csc(NC(=O)c3ccc(=O)n(C)n3)n2)c1C 14108946 VNXQQCASWAWLSL-UHFFFAOYSA-N 369.450 2.760 30 40 FFEB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1C=Nc1cccc(Cl)c1 408537317 VGFKQLUSEFYGII-AZHAFVHUSA-N 359.813 2.926 30 40 FFEB C=CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 222926856 TWMIBEWVUDSOQB-MRXNPFEDSA-N 370.424 2.924 30 40 FFEB COc1ccc(C)cc1-n1ccc(C(=O)Nc2cc(C)nn2CCC#N)n1 58191057 NYNBIJZWGTVRAW-UHFFFAOYSA-N 364.409 2.860 30 40 FFEB C#CCN1CCC[C@](C[C@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)OCC)C1 19529981 PZUQQNOZIBUKSV-WIYYLYMNSA-N 372.440 2.987 30 40 FFEB CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 100257141 NLUZQSHNQGGMGA-CQSZACIVSA-N 354.406 2.607 30 40 FFEB C/C(O)=C1\C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(N(C)C)cc1 102430052 RHFQNQXWODZPHW-KJCUYJGMSA-N 351.406 2.632 30 40 FFEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(OC)cc1 4944613 CNXWJRPJINYAEW-CYBMUJFWSA-N 357.435 2.541 30 40 FFEB COC(=O)Cc1ccc(O[C@@H](C)C(=O)N(C)C2(C#N)CCCCC2)cc1 39996274 NFEAFLXFQCNVCX-HNNXBMFYSA-N 358.438 2.854 30 40 FFEB COC(=O)[C@H](CC(C)C)NC(=O)C[C@@H](C)CC(=O)Nc1ccc(C#N)cc1 4694230 YIMCDCJSTAVAGU-YOEHRIQHSA-N 373.453 2.617 30 40 FFEB CCn1nnc2cc(C(=O)O[C@H](C)C(=O)Nc3ccccc3C#N)ccc21 5805168 IWOCBZINIUTUDI-GFCCVEGCSA-N 363.377 2.507 30 40 FFEB Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)Nc2ccnc(Cl)c2)n1 198023478 OVDTWSDNBMHNGE-UHFFFAOYSA-N 373.649 2.990 30 40 FFEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1C 86053427 FSJBRAVKEVQARD-TWWIOWFMSA-N 372.899 2.660 30 40 FFEB COCCn1c(C)cc(C(=O)COc2nc(C)cc(COC)c2C#N)c1C 96234372 SVZYJMUJZJQPBG-UHFFFAOYSA-N 371.437 2.735 30 40 FFEB C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 610598345 QDHCUTUDJJELKB-KFKAGJAMSA-N 353.466 2.980 30 40 FFEB O=C(CO)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083809105 GIHRCHXAUCPLQW-UHFFFAOYSA-N 358.103 2.625 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 33161402 CXYGCIRKLHMHPF-SFHVURJKSA-N 367.380 2.873 30 40 FFEB O=C1C(=O)N(c2ncccn2)[C@H](c2cccs2)/C1=C(\O)c1ccco1 102701874 ODSNKCFEZOWWHR-MNWMYKRDSA-N 353.359 2.757 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1cccc(OC)c1 102803932 LXNRLPJGCRFLSO-GROYHEBESA-N 371.389 2.665 30 40 FFEB C/N=c1/scc(-c2ccccc2F)n1/N=C/c1ccc(O)c(O)c1O 103330621 DVLVRLUCOKAWQB-NARXPUHQSA-N 359.382 2.885 30 40 FFEB C=CCSCC(=O)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 53414571 OZDGAGJMRKSYLI-UHFFFAOYSA-N 364.486 2.908 30 40 FFEB COc1ccc(CNC(=S)N/N=C/c2cccc(OC)c2OC)cc1 903764 OIIKEPJNYGOQQX-UDWIEESQSA-N 359.451 2.711 30 40 FFEB Cc1cc(C)c2c(c1)/C(=N/OCC(=O)N1CCCc3ccccc31)C(=O)N2 3282719 AXXGACZSUQMJGF-UHFFFAOYSA-N 363.417 2.956 30 40 FFEB Cc1nnc(SCC(=O)N[C@@](C)(C#N)C(C)C)n1Cc1ccccc1 2627039 XQTXZNWESDDODC-SFHVURJKSA-N 357.483 2.781 30 40 FFEB Cc1c(/C(O)=N/S(=O)(=O)Cc2ccccc2C#N)oc2c1C(=O)CCC2 48507431 NSDRHAHYBUKCGV-UHFFFAOYSA-N 372.402 2.813 30 40 FFEB Cc1ccc(N2C(=O)[C@H](/C=N\c3cccc(F)c3)C(=O)NC2=S)cc1 408752790 CFNBTQIRUYWBFO-RKQRPNFGSA-N 355.394 2.901 30 40 FFEB Cc1cc(N/N=C/c2ccco2)nc(NS(=O)(=O)c2ccccc2)n1 6088843 ZGKGVLZXCAQZSN-GZTJUZNOSA-N 357.395 2.625 30 40 FFEB C=CCN1CC[C@]2(CN(Cc3cccnc3)C[C@H]2c2nccs2)C1=O 306142882 XNDUIVNRQKODCG-QFBILLFUSA-N 354.479 2.542 30 40 FFEB C=CCN1CC[C@]2(CN(Cc3ccccn3)C[C@@H]2c2nccs2)C1=O 306141274 VQJLCIKYEMYRRD-VQIMIIECSA-N 354.479 2.542 30 40 FFEB CSc1ccc([C@H]2C3=C(CCCC3=O)Nc3c(C(N)=O)cnn32)cc1 40267256 ACPUBDSURVWZEO-INIZCTEOSA-N 354.435 2.726 30 40 FFEB C#CC[C@@H](CC(F)(F)F)NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 583651299 KITJDJYECREYNH-QWRGUYRKSA-N 374.309 2.778 30 40 FFEB C[C@H]1CCc2sc(NC(=O)C3(S(C)(=O)=O)CC3)c(C#N)c2[C@H]1C 297829573 MNWATPLYBXNGJK-UWVGGRQHSA-N 352.481 2.821 30 40 FFEB C=C(C)Cn1c(=O)c2c(nc3n(C4CCCCC4)c(C)c(C)n23)n(C)c1=O 12373983 BGDBJAZIPNOFQP-UHFFFAOYSA-N 369.469 2.848 30 40 FFEB CC[C@H](CNC(=O)COc1ccc(C#N)cc1)N1CCc2ccccc2C1 32445992 LGPZQZOVNMMUDY-HXUWFJFHSA-N 363.461 2.890 30 40 FFEB C=CCn1c(SCC(=O)NC(=O)NCCC)nnc1C1CCCCC1 6430781 BUAQNNOGNASELY-UHFFFAOYSA-N 365.503 2.840 30 40 FFEB COc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc(C#N)c2)cc1OC 5404641 JNMHNVIVKZIHQF-VQHVLOKHSA-N 366.373 2.771 30 40 FFEB COc1ccc2oc(C(=O)OCC(=O)N[C@](C)(C#N)C3CC3)c(C)c2c1 7737228 ALOPVHGRHBAQCX-LJQANCHMSA-N 356.378 2.715 30 40 FFEB C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)C2CC2)cc1 72313584 UWVFVCUMLFVDDW-UHFFFAOYSA-N 351.472 2.803 30 40 FFEB C[C@@H](NS(=O)(=O)c1cnn(Cc2ccccc2)c1)c1ccc(C#N)cc1 119960549 YWOWVQVIDAHQOK-OAHLLOKOSA-N 366.446 2.843 30 40 FFEB COc1cccc(/N=C\[C@@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c1 408752267 CSNOPZCNCSSKPB-IWEBCOIVSA-N 367.430 2.770 30 40 FFEB C[C@@H]1COCCN1c1ccc(C(=O)Nc2cccc(C#N)c2)cc1[N+](=O)[O-] 32829982 NFNXJSQZQOISFS-CYBMUJFWSA-N 366.377 2.944 30 40 FFEB N#Cc1ccccc1OCC(=O)NC[C@@H](c1cccs1)N1CCCC1 32763246 HJORAHFQQBLWIJ-INIZCTEOSA-N 355.463 2.952 30 40 FFEB COC(=O)[C@H]1CCCN1C(=O)/C=C/c1cn(CCC#N)c2ccccc12 95947399 LMMDZVLBOGZUGS-QZEKMECESA-N 351.406 2.732 30 40 FFEB N#Cc1cccc(N2CCOC[C@]3(CCCN(C(=O)C4(F)CC4)C3)C2)c1 1565545872 NEDHDAUKEFQBQE-LJQANCHMSA-N 357.429 2.506 30 40 FFEB C=CCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 4941745 JJIWLHAALRAXGP-UHFFFAOYSA-N 362.842 2.513 30 40 FFEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccncc1 104241266 ONWLOZGEDHMCRM-IBOXJLQUSA-N 371.462 2.517 30 40 FFEB N#Cc1cc2c(N)c(C(=O)NCCc3cccc(Cl)c3)sc2nc1N 20029369 BPGNFNGIHZNXLZ-UHFFFAOYSA-N 371.853 2.958 30 40 FFEB CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1COc2ccccc2O1 32654935 LQQSTWNDRYHDMF-HNNXBMFYSA-N 371.824 2.922 30 40 FFEB COc1ccc(CN2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1F 32722519 NPLPWOWJQCHWPH-UHFFFAOYSA-N 353.397 2.664 30 40 FFEB COC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(C#N)cc2)c([N+](=O)[O-])c1 7735076 NBGKPPGBEULJLY-LLVKDONJSA-N 369.333 2.659 30 40 FFEB C#CCNC(=O)[C@@H](C)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1 56155831 JYOMUYGYOPKQKT-CYBMUJFWSA-N 369.396 2.636 30 40 FFEB C=CCNC(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccccc1 2064920 KEADKOCWQIITDH-UHFFFAOYSA-N 358.463 2.747 30 40 FFEB N#Cc1ccc(OCC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 58283342 ULEUVXYKPRUNGH-OAHLLOKOSA-N 371.387 2.858 30 40 FFEB COc1ccc2c(C)nc(/N=C(/N)NCc3ccc([N+](=O)[O-])cc3)nc2c1 59501031 IJYAEXXVKCXXTH-UHFFFAOYSA-N 366.381 2.591 30 40 FFEB C=CCNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 4905521 WHHKEIHWDJQKAL-UHFFFAOYSA-N 362.426 2.632 30 40 FFEB CCNC(=O)C[C@@H]1S/C(=N\c2ccc(Br)cc2)N(C)C1=O 18173329 VEJUEEGQVVIGOS-KFZGLNKMSA-N 370.272 2.537 30 40 FFEB Cc1c(/C=N/c2ccc(C(N)=O)cc2)c(=O)n2c([nH]c3ccccc32)c1C#N 1505840475 DFJZCXFIALDEAL-BHGWPJFGSA-N 369.384 2.810 30 40 FFEB CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)cc1 36638595 AOXKYAADJHMDHQ-MQSIFZDRSA-N 366.508 2.643 30 40 FFEB N#C[C@]1(C(=O)O)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218384681 WNNAVPSUXGLJFG-VYDXJSESSA-N 361.806 2.874 30 40 FFEB C=CCNC(=S)Nc1nc(OC)cc(N2CCc3ccccc3C2)n1 225923652 WIUHXOPCLYALSC-UHFFFAOYSA-N 355.467 2.520 30 40 FFEB CCCCOc1ccc(/C=C/C(=O)ON2C(=O)CCC2=O)cc1OCC 97942943 JCRYMIJVTGRPJM-YRNVUSSQSA-N 361.394 2.885 30 40 FFEB C[C@H]1CN(C[C@@H]2C(=O)O[C@@]34[C@@H](CC[C@@]5(C)O[C@H]53)[C@H](C)CC[C@@H]24)C[C@@H](C)O1 20412374 RUZUDZSTUUEQRC-JYVAAXSDSA-N 363.498 2.621 30 40 FFEB biogenic C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CCC)cc1 56352982 TXKOBBVAJPZOCY-INIZCTEOSA-N 358.442 2.724 30 40 FFEB COC(=O)c1cc(C#N)c(=O)n(Cc2c(C)cc(C)c(C(C)=O)c2C)c1 28190410 XRFYGUVBQGMVPA-UHFFFAOYSA-N 352.390 2.683 30 40 FFEB C[C@@H](C(=O)Nc1ccc(CC#N)cc1)N(c1ccccc1)S(C)(=O)=O 4193125 HBBUWWMZTLKQJD-AWEZNQCLSA-N 357.435 2.546 30 40 FFEB C=CCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n1Cc1ccccc1 5204976 UIPQUTNOLRDZES-UHFFFAOYSA-N 372.428 2.922 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccc(OC)c1 6786277 BSLCEFCLOBBUJY-MRXNPFEDSA-N 357.362 2.513 30 40 FFEB CN(C)C(=O)COc1ccc(C(=O)/C=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 36389583 MOHKMBXFCCTIRK-YCRREMRBSA-N 370.361 2.664 30 40 FFEB C[C@H](OC(=O)c1n[nH]c2ccccc12)C(=O)N(C)C1(C#N)CCCCC1 7061797 UELZHKKWPKNSGF-ZDUSSCGKSA-N 354.410 2.793 30 40 FFEB N#Cc1ccc(OCC(=O)C2CCOCC2)c(I)c1 281226552 OUSNCXKBAKQNQT-UHFFFAOYSA-N 371.174 2.537 30 40 FFEB N#Cc1ccc(F)c(CS(=O)(=O)N2CCO[C@@H](c3cccs3)C2)c1 164527044 NHDRHAZHHIBSIT-OAHLLOKOSA-N 366.439 2.662 30 40 FFEB C#CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2cccc(OC)c21 100910107 ONQGLSOMDCEQPD-MSUUIHNZSA-N 357.347 2.587 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 6295786 QMVZQXDSQBCKAI-HNNXBMFYSA-N 363.417 2.594 30 40 FFEB C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc3c2CCCC3)cc1 12794564 QEEQWXMHXAYUOU-UHFFFAOYSA-N 368.458 2.729 30 40 FFEB C=CCNC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 14137419 NDTWJJKZZZSEJU-UHFFFAOYSA-N 357.460 2.842 30 40 FFEB CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1 36638713 DARCDLGFGWROTN-MQSIFZDRSA-N 366.508 2.643 30 40 FFEB C#CCOc1cccc(CN2C[C@@H]3CCC[C@H](C2)C3N2CCOCC2)c1 19014262 CZLIPYPWHAEPOG-RLAPIPATSA-N 354.494 2.631 30 40 FFEB CCOCCOc1c(Cl)cccc1NCC(=O)N[C@](C)(C#N)C1CC1 58224503 ZEMPDJONZGIOLH-GOSISDBHSA-N 365.861 2.976 30 40 FFEB Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccnc2)s1 13733024 STORUOVCRAHZTP-CYBMUJFWSA-N 368.374 2.617 30 40 FFEB CC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1 6348104 KKWGSVDOIQULCU-CYBMUJFWSA-N 357.410 2.533 30 40 FFEB Cc1nn(C)cc1CN(C)CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 14191889 VGVUYCLGCFAXGX-GFCCVEGCSA-N 371.510 2.857 30 40 FFEB COCc1cc(C)nc(N/N=C\c2cc([N+](=O)[O-])ccc2N(C)C)c1C#N 408996024 CNTWKKVREULDFB-JMIUGGIZSA-N 368.397 2.828 30 40 FFEB C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 6479422 WYJBEGZHKVYDAB-GHRIWEEISA-N 360.369 2.673 30 40 FFEB Cc1ccc(C(=O)N2C[C@@H]3CN(c4ccc(C#N)cn4)C[C@@H]3C2)cc1F 1888869480 DAFYMRBAKKKNGL-CALCHBBNSA-N 350.397 2.609 30 40 FFEB COc1ccc([C@H]2CC(=O)C=C(NNS(=O)(=O)c3ccccc3)C2)cc1 849593 YLTRYIDPZAUDLE-OAHLLOKOSA-N 372.446 2.509 30 40 FFEB N#Cc1ccc(CN2CCCN(C[C@H](O)c3ccc(F)cc3)CC2)cc1 25304058 RKFIMHJAGJEKGI-NRFANRHFSA-N 353.441 2.939 30 40 FFEB Cc1c(NC=C2C(=O)CC(C)(C)CC2=O)c(=O)n(-c2ccccc2)n1C 3102211 XREBBZRRDKTYQI-UHFFFAOYSA-N 353.422 2.738 30 40 FFEB C=CCON1C(=O)[C@@H]2[C@H](C1=O)[C@]1(Cl)C[C@]2(Cl)C(Cl)=C1Cl 104085532 OUJMQUZNSJGMOH-ZTABQDSOSA-N 357.020 2.767 30 40 FFEB Cc1ccc(C)c(N2/C(=N\C(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 101313044 NFLNFSLHTLPIAC-WPIBOPBSSA-N 366.508 2.561 30 40 FFEB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(CC#N)cc2)c1 26542411 XVFLMISRGYYIEH-UHFFFAOYSA-N 364.810 2.993 30 40 FFEB COc1ccccc1/C=C/C(=O)Nc1c(C#N)cnn1-c1nc(C)cc(C)n1 6669347 SKUJRWLUTZPMFB-CMDGGOBGSA-N 374.404 2.811 30 40 FFEB CC(C)c1ccc(CCNC(=O)CSc2ncc(C#N)c(N)n2)cc1 7695664 NOPLLWYYHMZPOA-UHFFFAOYSA-N 355.467 2.505 30 40 FFEB C[C@@H](Sc1nc2c(c(=O)[nH]1)CCCC2)C(=O)Nc1ccccc1C#N 18247575 FCIYAKMFZPWSGO-LLVKDONJSA-N 354.435 2.640 30 40 FFEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(C)C 32639381 AVKIGGRLQQATAR-NHYXNVPJSA-N 366.508 2.821 30 40 FFEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 32634154 VQSFUMFYYBDXIG-HJUNTIBCSA-N 370.471 2.617 30 40 FFEB N#C[C@@H]1CCC[C@@H]1Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 72312154 UDSGYNJITVWXFM-WPRPVWTQSA-N 363.317 2.992 30 40 FFEB CCCCC[C@@H](/C=N\NC(N)=S)C(O)(C(F)(F)F)C(F)(F)F 17222878 GKGNUCJQSXGTOC-ONEIGQCESA-N 353.332 2.858 30 40 FFEB C=C(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)c1c(OC)ccc2ccc(=O)oc12 1649884 UXEHZTFFWWQEAU-IEBWSBKVSA-N 360.362 2.914 30 40 FFEB biogenic N#Cc1cnc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)c(Cl)c1 1889091900 IGQONYAHGWQBBE-UHFFFAOYSA-N 368.750 2.742 30 40 FFEB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(N)=S)[C@H]2c1ccc([N+](=O)[O-])cc1 100460556 XAGYQHJKASYUNW-ZDUSSCGKSA-N 373.434 2.808 30 40 FFEB COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2Cc2cccnc2)cc1OC 870979 KVSAREGDUKMAJH-SFHVURJKSA-N 368.389 2.583 30 40 FFEB CC(=O)Nc1ccc(C2=N/C(=C/c3ccccc3OCC#N)C(=O)O2)cc1 4718884 DVASDCUXVOOYQI-SFQUDFHCSA-N 361.357 2.892 30 40 FFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(c2ccccn2)CC1 12976348 DUFTWKZLIRFRMM-UHFFFAOYSA-N 361.405 2.608 30 40 FFEB COc1ccc(OC)c(/C=N/Nc2nnc3c4ccccc4n(C)c3n2)c1 4457690 FOWHXOWAECDXMC-RGVLZGJSSA-N 362.393 2.980 30 40 FFEB N#Cc1ccc(Cl)cc1NC(=O)Cn1nc(-c2cccs2)oc1=O 7249799 FBMVNPKNRJNFCV-UHFFFAOYSA-N 360.782 2.729 30 40 FFEB N#CCn1c(CSc2nnc(NC3CC3)s2)nc2ccccc2c1=O 7577540 RFCBVNHSHVZRLG-UHFFFAOYSA-N 370.463 2.638 30 40 FFEB COc1cc2c(cc1OC)CN([C@@H](C)C(=O)NC1(C#N)CCCCC1)CC2 7990132 QGLJIJHKSHPICN-HNNXBMFYSA-N 371.481 2.793 30 40 FFEB Cn1ncc(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)c1Cc1ccccc1 1288144118 BMHJNWIFOOKAJK-LJQANCHMSA-N 356.429 2.780 30 40 FFEB CCn1c(/N=C(\O)c2ccc(S(=O)(=O)N(C)C)cc2)nc2ccccc21 6051477 DLQQXSWDVCOFKI-UHFFFAOYSA-N 372.450 2.943 30 40 FFEB COc1cc([C@@H]2C(C(C)=O)=C(C)Nc3ncnn32)ccc1OC(F)F 1460538 IYIKPYUTFLHAKS-CQSZACIVSA-N 350.325 2.766 30 40 FFEB CCOc1c(Br)cc(/C=N/n2c(C)nnc2C)cc1OC 3337257 JBMRGLHLHCJCQK-LZYBPNLTSA-N 353.220 2.947 30 40 FFEB COC(=O)[C@@H](CC(C)C)NC(=O)C[C@@H](C)CC(=O)Nc1ccc(C#N)cc1 4694231 YIMCDCJSTAVAGU-WMLDXEAASA-N 373.453 2.617 30 40 FFEB COc1cccc(N=C[C@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 408536359 RCRXEZSVBSGHMY-HNNXBMFYSA-N 371.780 2.950 30 40 FFEB C=CCOc1ccc(-c2nc3s/c(=C\c4ccco4)c(=O)n3n2)cc1 3649304 IHIGLLRGSDIIJJ-PTNGSMBKSA-N 351.387 2.524 30 40 FFEB CN(CCC#N)C(=O)COC(=O)C1c2ccccc2Oc2ccccc21 6379135 OOOAXHLGXLCORV-UHFFFAOYSA-N 350.374 2.839 30 40 FFEB N#Cc1ccc(CN2CCN(c3cc(C4CCOCC4)ncn3)CC2)cc1 2087131103 DSFFZDLLTNKBMJ-UHFFFAOYSA-N 363.465 2.564 30 40 FFEB COc1ccccc1[C@@H]1C(C(C)=O)=C(O)C(=O)N1CCCCCC(=O)O 4494538 CQLMUVHFPYARJU-QGZVFWFLSA-N 361.394 2.625 30 40 FFEB Cc1ccc(S(=O)(=O)Nc2nc(C)cc(N/N=C\c3ccco3)n2)cc1 4813505 AACIMNJPJBUOFP-WQRHYEAKSA-N 371.422 2.933 30 40 FFEB COc1ccc(N/N=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc1 100005953 NPAOSIAYQQOVSC-KNTRCKAVSA-N 353.338 2.794 30 40 FFEB CCOC(=O)[C@@H]1C(=O)C[C@@](O)(c2ccccc2)[C@@H](C#N)[C@@H]1c1ccccc1 4566126 LOACLDDBDOFPHY-LLMJNHHCSA-N 363.413 2.950 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN)[C@H]2c2cccs2)cc1 25179814 QDCJOHGZVOIIOL-INIZCTEOSA-N 372.446 2.684 30 40 FFEB CC(/C=C\c1ccc([N+](=O)[O-])o1)=N/N1C[C@H](CN2CCCCC2)OC1=O 104331415 XPVPXZXZCUMYNI-FNBGGZJISA-N 362.386 2.884 30 40 FFEB CC(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 101317400 PPEPWAIYOHHOIV-BLCHQYFCSA-N 372.899 2.597 30 40 FFEB C=CCNC(=O)NC(=O)COC(=O)c1ccccc1Oc1ccccc1 3513320 KHISNFUXBYBLSG-UHFFFAOYSA-N 354.362 2.648 30 40 FFEB COC(=O)[C@H](CC(C)C)NC(=O)C[C@H](C)CC(=O)Nc1ccc(C#N)cc1 4694233 YIMCDCJSTAVAGU-PBHICJAKSA-N 373.453 2.617 30 40 FFEB CCOCCCNc1nnc(SCC(=O)N[C@@](C)(C#N)C(C)C)s1 9501989 HPDZXAFQPDETHX-HNNXBMFYSA-N 371.532 2.523 30 40 FFEB O=C(O)COc1ccc(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc1 8746980 BIRSJJAVWQEDHN-XCVCLJGOSA-N 367.401 2.883 30 40 FFEB N#Cc1ccc(NC(=O)COc2ccc(Cl)cc2-n2cnnc2)cc1 32646759 JSGMEKMDYXZQLX-UHFFFAOYSA-N 353.769 2.810 30 40 FFEB O=C1O[C@@]2(C(=O)Nc3ccccc32)C(C(=O)c2ccc(Cl)cc2)=C1O 66087579 LYHLNZTXRQIFEN-GOSISDBHSA-N 355.733 2.739 30 40 FFEB C=CCOC(=O)c1nnc2c(-c3ccc(OC)cc3)c(COC)nn2c1C 40372734 DVEMEPCAINQHJW-UHFFFAOYSA-N 368.393 2.598 30 40 FFEB N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@H]4COC[C@H]4C3)cn2)cc1 602796256 WRTOGQYBXHNQRV-GASCZTMLSA-N 350.378 2.856 30 40 FFEB N#CCC1(CN2C(=O)N[C@H](c3ccccc3OC(F)(F)F)C2=O)CC1 596249091 CLLRYYOVWHIXDG-GFCCVEGCSA-N 353.300 2.872 30 40 FFEB COc1ccc2c(c1)CCc1cc(C(=O)OCC(=O)NCCC#N)sc1-2 5435669 GXAVGQLDELBOTC-UHFFFAOYSA-N 370.430 2.709 30 40 FFEB CS/C(=N/N=C(\C)c1ccccn1)N1CCN(c2ccccn2)CC1 17126120 BPWYMNLLHXKAAT-QMEDZHDISA-N 354.483 2.742 30 40 FFEB COc1ccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)c(OC)c1 20029535 QROPXTVOSNHOAV-UHFFFAOYSA-N 369.406 2.602 30 40 FFEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)C)cc1 101302483 ZRZODZDQTRQKGZ-YTRIFDNDSA-N 366.508 2.821 30 40 FFEB C=CCOc1ccc(-c2nc3s/c(=C\c4ccc(C)o4)c(=O)n3n2)cc1 2703769 HWFQZRVQZBYGTN-WJDWOHSUSA-N 365.414 2.832 30 40 FFEB C=C[C@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC 14710237 JGKCGXVOATXMRM-UHEFJODHSA-N 354.450 2.671 30 40 FFEB biogenic C=CCN(Cc1ccc(C(=O)NC)cc1)S(=O)(=O)c1ccc(C)cc1 224475174 SZYDADUTNLJSHT-UHFFFAOYSA-N 358.463 2.732 30 40 FFEB C/C(NC(=O)C(C)(C)C)=C1\C(=O)c2ccccc2S(=O)(=O)N1C(C)C 9484462 FKIHDZSHOXZSJR-QINSGFPZSA-N 364.467 2.676 30 40 FFEB COc1ccccc1/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409245171 OLTQWXWCNJEGBC-KGENOOAVSA-N 354.406 2.683 30 40 FFEB COc1ccc2cc(C(=O)NC(C)=O)/c(=N/c3ccc(C#N)cc3)oc2c1 5125638 YIADUISXXKKMJK-ATJXCDBQSA-N 361.357 2.822 30 40 FFEB CCOC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)c(C#N)c1C 920199 QVWPWUZZKWSPRG-UHFFFAOYSA-N 351.284 2.608 30 40 FFEB CN(C)c1ccc(CCNC(=O)C(=O)Nc2cc(Cl)ccc2C#N)cc1 11693725 VDHYPEPNQLJYCD-UHFFFAOYSA-N 370.840 2.575 30 40 FFEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 104016428 HXKXEQAHBYCKEO-UYTDBDHRSA-N 352.346 2.955 30 40 FFEB C[C@@H]1CN(C[C@@H]2C(=O)O[C@@]34[C@@H](CC[C@@]5(C)O[C@H]53)[C@H](C)CC[C@@H]24)C[C@@H](C)O1 20412371 RUZUDZSTUUEQRC-UMAXCMAPSA-N 363.498 2.621 30 40 FFEB biogenic CC[C@H](C)NC(=O)CSc1nc2cc3c(cc2cc1C#N)OCCO3 1355067 AKDBSEYAUWGDNA-NSHDSACASA-N 357.435 2.884 30 40 FFEB Cc1cccc(N2CCN(CC(=O)Nc3sccc3C#N)CC2)c1C 34858791 AEIAZNJKESTOQN-UHFFFAOYSA-N 354.479 2.997 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 100301679 PYFMQUCYIDMEMK-CLJWGSFLSA-N 371.780 2.635 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccc(F)cc1 102804455 ZMXXSJRKKHUVNO-DPEHCCBOSA-N 361.394 2.955 30 40 FFEB C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(Cc2ccsc2)CC1 22914762 HLYGLOUNUQZJFL-HNNXBMFYSA-N 354.479 2.765 30 40 FFEB COc1ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C#N)c(OC)c1 9338807 CLYIBXNAXAHSFN-LLVKDONJSA-N 370.365 2.923 30 40 FFEB C#CCOc1ccc([C@@H]2NC(N)=Nc3nc4ccccc4n32)cc1OCC 7127623 SGPDWXBQXCWDTI-GOSISDBHSA-N 361.405 2.543 30 40 FFEB COc1ccc(S(=O)(=O)/N=C(\O)c2ccc(C(F)(F)F)nc2)cc1 75799059 MGOCCMUSGNCZBZ-UHFFFAOYSA-N 360.313 2.803 30 40 FFEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1cc([N+](=O)[O-])ccc1O 18195898 KOTZBTUZJONMSX-CYBMUJFWSA-N 370.365 2.930 30 40 FFEB N#Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1 6271049 GBRIAONKTLVFOC-UHFFFAOYSA-N 369.446 2.985 30 40 FFEB COc1ccc(CCNC(=O)Cn2cc(C#N)c3ccccc32)cc1OC 51319014 YSBIIJBFEUOTEJ-UHFFFAOYSA-N 363.417 2.889 30 40 FFEB C[C@@H](Oc1cccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)c1)C(=O)O 58464776 FDCFKRULMPFQBH-HOSRBBHYSA-N 367.357 2.766 30 40 FFEB COc1cc(/C=C/C(=O)[C@@H]2C(=O)C=C(C)OC2=O)ccc1OC(F)F 3549235 CALABHBDSDRAPK-SJDLMVEWSA-N 352.289 2.525 30 40 FFEB COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC#N)cc(OC)c1OC 55243776 DTQHIYZOPBPETJ-BPAFIMBUSA-N 360.454 2.904 30 40 FFEB biogenic Cc1ccc(-n2c(C)cc(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2C)nc1 409404954 FKWWXKOMNMLXFO-CPLUKWAASA-N 374.444 2.939 30 40 FFEB C#CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O 408807999 PNGPEASNFKZZPB-GHRIWEEISA-N 360.369 2.673 30 40 FFEB Cc1nnc(N=C(O)[C@@H](c2cccc(F)c2)N2CCOCC2)n1C1CC1 329090859 WQNLCSBDABIKPG-MRXNPFEDSA-N 359.405 2.722 30 40 FFEB N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2ncoc2C2CC2)CC1 293486464 SLEFPQXDGKTGOV-UHFFFAOYSA-N 373.416 2.934 30 40 FFEB C=CCN1C(=O)N[C@H](c2cnc(-c3ccccc3)nc2)C(C(=O)OC)=C1C 54003940 VSNPBLNXLWZAER-QGZVFWFLSA-N 364.405 2.843 30 40 FFEB C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@H](O)C(=O)O 59060187 NCZRCNAAHNGILW-PUNHBPBZSA-N 362.466 2.551 30 40 FFEB in-vitro Cc1nc2ccccc2n1[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C1 585149232 XEHFIEYGQFKVCA-INIZCTEOSA-N 366.446 2.852 30 40 FFEB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(N)=S)[C@@H]2c1ccc([N+](=O)[O-])cc1 100460563 XAGYQHJKASYUNW-CYBMUJFWSA-N 373.434 2.808 30 40 FFEB N#Cc1ccc(Sc2nnc(N3CCCC3)n2Cc2ccco2)nc1 12735995 QRXTXHLHHVTPOR-UHFFFAOYSA-N 352.423 2.937 30 40 FFEB C=CCNc1nc(C(=O)OCCCn2c(=O)[nH]c3ccccc32)cs1 3568473 RTYAQFJKMZBIGE-UHFFFAOYSA-N 358.423 2.631 30 40 FFEB Cc1cc(C)n(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)c1C#N 409412630 YULFJVKUKDGRRP-UHFFFAOYSA-N 360.757 2.537 30 40 FFEB C=CCn1c(C)nnc1SCC(=O)NCCc1c[nH]c2ccccc12 8472880 MVSMODXJIUSNJQ-UHFFFAOYSA-N 355.467 2.705 30 40 FFEB C=CCN1C(=O)CCCC12CCN(C(=O)Cc1ccc(OC)cc1)CC2 96158602 KJPPDPIYXXOENV-UHFFFAOYSA-N 356.466 2.797 30 40 FFEB Cc1cc(S(=O)(=O)N[C@@H]2CCc3cc(C#N)ccc32)sc1C(=O)O 618631184 ATPLZUWUWPMULI-CYBMUJFWSA-N 362.432 2.592 30 40 FFEB N#Cc1cccc(NC(=O)CNc2cccc(-c3nnnn3C3CC3)c2)c1 12527530 JBKQIFMYLXXHDK-UHFFFAOYSA-N 359.393 2.597 30 40 FFEB CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(Br)cc2F)C(=O)O1 23479672 PJMSHMXUSVCASR-KQIUPUNMSA-N 353.143 2.816 30 40 FFEB C=CCn1c(S[C@H](C)C(=O)OC)nnc1[C@H]1COc2ccccc2O1 11428513 UOEIHPZSKGIHTI-BXUZGUMPSA-N 361.423 2.630 30 40 FFEB CCS/C(=N/c1c(C(=O)NC)ncn1CC(C)=O)Nc1ccccc1 4817758 JLCDQZAVCPNCDQ-UHFFFAOYSA-N 359.455 2.684 30 40 FFEB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccccc2C#N)cc1 6888322 AARLBNUAMBVOLX-UHFFFAOYSA-N 357.435 2.841 30 40 FFEB N#CCCN(C(=O)COC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 4926263 KMHGXSDDLKBNAH-UHFFFAOYSA-N 366.373 2.561 30 40 FFEB COc1cc([C@@H](O)[C@@H](C#N)c2ccc(C#N)cc2)c([N+](=O)[O-])cc1OC 16194850 IJUGQKOQPIPQKL-KBXCAEBGSA-N 353.334 2.824 30 40 FFEB COc1cccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccccc3)S2)c1 7882788 UBXYFDBQPPSXJX-HNNXBMFYSA-N 355.419 2.943 30 40 FFEB C#CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)c1 408942649 ZVUMOIIJFPCJBX-RGEXLXHISA-N 374.396 2.927 30 40 FFEB CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc([N+](=O)[O-])c1 32931305 ZACJPILEHVYDCW-UHFFFAOYSA-N 352.394 2.670 30 40 FFEB CCOCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 229883000 DAHJLJDIQUXYSV-MBOZVWFJSA-N 356.527 2.874 30 40 FFEB CC(=O)NCCN(C(=O)c1ccc(Cl)c(C#N)c1)C1CCSCC1 579687727 BXPATLLCJZADSD-UHFFFAOYSA-N 365.886 2.686 30 40 FFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@]2(C#N)C(=O)O)cc1 242522152 IJMPGUAVXGJYOI-NUJGCVRESA-N 359.378 2.668 30 40 FFEB Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)Nc1ccc(F)c(C#N)c1 78720247 CWVGTHCPCXFGHK-UHFFFAOYSA-N 352.318 2.644 30 40 FFEB COC(CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(C(C)(C)C)cc1)OC 813457 IIOODUAPEIADPP-KRWDZBQOSA-N 361.438 2.887 30 40 FFEB CS(=O)(=O)c1cccc(S(=O)(=O)/N=C(\O)CC2CCCCC2)c1 54487238 VLLSUUINXNTOGB-UHFFFAOYSA-N 359.469 2.706 30 40 FFEB CN(c1cccc(C#N)c1)S(=O)(=O)c1cnn(Cc2ccccc2)c1 58263763 HSVKQUKZFWDNQT-UHFFFAOYSA-N 352.419 2.628 30 40 FFEB N#Cc1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl 3312528 HJGXATKUYDPQKF-UHFFFAOYSA-N 359.725 2.915 30 40 FFEB COc1cc(C#N)cc(Cl)c1OCC(=O)NCc1ccc2c(c1)OCO2 6126721 LRMLMGQYROCKBM-UHFFFAOYSA-N 374.780 2.644 30 40 FFEB CCN(Cc1ccc2c(c1)OCCO2)C(=O)COc1ccc(C#N)cc1 14140411 MMGYPVGUHMIRDJ-UHFFFAOYSA-N 352.390 2.757 30 40 FFEB COc1cc([C@@H](O)[C@H](C#N)c2ccc(C#N)cc2)c([N+](=O)[O-])cc1OC 16194853 IJUGQKOQPIPQKL-RDTXWAMCSA-N 353.334 2.824 30 40 FFEB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@]1(C#N)COC 225642871 HBYFUTQLFZHCFK-BFHYXJOUSA-N 358.257 2.506 30 40 FFEB N#Cc1ccc(N2C[C@@]3(CCN(C(=O)Cc4ccccc4)C3)CC2=O)cc1 96238819 KWTWFGNFJCIXON-QFIPXVFZSA-N 359.429 2.756 30 40 FFEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)NC(C)(C)CO)c2)c1 75572577 MDCKQOHPAWHUEI-UHFFFAOYSA-N 366.417 2.765 30 40 FFEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(=O)O)[C@@H]2c2ccc(F)cc2)cc1 17207057 CDELJOFDPHORSL-QGZVFWFLSA-N 369.348 2.797 30 40 FFEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccco2)cc1 102539776 DRUSDLLIMDHMOA-HVESIFNPSA-N 354.406 2.571 30 40 FFEB C=CCn1c(SCC(=O)OC)nc2sc3c(c2c1=O)CCCC3 728147 ZSJKWULIGYQLGQ-UHFFFAOYSA-N 350.465 2.788 30 40 FFEB CC(C)(C)OC(=O)C1=C(N)N(Cc2ccccc2)[C@@]2(C)C=CC(=O)C=C12 6006216 GHDPQASUEGDVNY-NRFANRHFSA-N 352.434 2.838 30 40 FFEB C#CCC(C)(C)OC[C@@H](O)CN1CCN(c2cccc(Cl)c2)CC1 28295195 SVBOUFDETPSLIL-SFHVURJKSA-N 350.890 2.641 30 40 FFEB C=CCN(CCc1ccccc1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 58201264 LCSGCOVXWHPCMY-UHFFFAOYSA-N 372.490 2.808 30 40 FFEB C[C@H](C(=O)Nc1ccc(CC#N)cc1)N(c1ccccc1)S(C)(=O)=O 4193126 HBBUWWMZTLKQJD-CQSZACIVSA-N 357.435 2.546 30 40 FFEB COc1ccc(CC(=O)O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1OC 6424375 GGQKBUZCYKHCCD-ZDUSSCGKSA-N 368.389 2.688 30 40 FFEB N#Cc1ccc(-c2ccc(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)o2)cc1 409404145 CMPHCXYQXOGVFT-STEAMIEHSA-N 357.369 2.959 30 40 FFEB CCc1nnc(S)n1/N=C/c1cc(Br)c(OC)c(OC)c1 408858681 KOYMYHILOLAHQI-VIZOYTHASA-N 371.260 2.791 30 40 FFEB Cc1ccccc1/C=N\Nc1nc(N2CCCC2)nc(N2CCCC2)n1 15225851 NWDXQLUDMWXCIK-ZHZULCJRSA-N 351.458 2.826 30 40 FFEB COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(O)cc2)cc1OC 847051 XCMBISBNNFMGQY-SFHVURJKSA-N 369.373 2.898 30 40 FFEB biogenic COc1ccnc(Oc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1C#N 1401884 KFCJJAHJIPHCIL-UHFFFAOYSA-N 361.423 2.831 30 40 FFEB Cc1nn(CC(C)C)c(C)c1CC(=O)NCCNc1cccc(F)c1C#N 47332457 YHQKSLHDNYJKEJ-UHFFFAOYSA-N 371.460 2.938 30 40 FFEB Cc1cc(C)n(-c2ccc(CCNC(=O)N3CCC(C#N)CC3)cc2)n1 58264540 GDSIHQXLHVVVFI-UHFFFAOYSA-N 351.454 2.977 30 40 FFEB COc1ccc(NC(=O)CO/N=C(\N)COc2ccccc2)cc1Cl 39992635 STYTYBRWBCDCED-UHFFFAOYSA-N 363.801 2.655 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@H]1c1cccnc1 6308940 RDLWCECMSSDIRI-JBVUFVISSA-N 364.401 2.706 30 40 FFEB CCN(CC)S(=O)(=O)c1ccc(N/N=C2/SC(=N)N=C2C)cc1 5525078 CJNMIXPUYWFGHA-NLVWDDRHSA-N 353.473 2.585 30 40 FFEB CC1(C)OB(C2=CCN(C(=O)N[C@@H]3CCO[C@@H]3C3CC3)CC2)OC1(C)C 1776007633 QJNKGNXHFSWIPO-HZPDHXFCSA-N 362.279 2.527 30 40 FFEB Cc1ccc(C)c(S(=O)(=O)/N=C2\C=CC(=O)C(Br)=C2)c1 4134579 LZXPJANXRUEGGP-LFIBNONCSA-N 354.225 2.851 30 40 FFEB N#Cc1c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)nn(CCO)c1=O 1585096 ZTJLBJCCZJQZSD-UHFFFAOYSA-N 353.328 2.719 30 40 FFEB N#Cc1c(CN2C(=O)N/C(=C\Cc3ccccc3)C2=O)cn2ccccc12 32818828 LIDCPQAWAVSTTJ-ZDLGFXPLSA-N 356.385 2.989 30 40 FFEB C=C(C)CN(CC)C(=O)COC(=O)c1cc(C2CC2)nc2onc(C)c12 32903465 ZUGPTTKMQSHAEW-UHFFFAOYSA-N 357.410 2.990 30 40 FFEB C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CCOc2ccccc2C#N)C1=O 47354306 DZKIOBAWOWGBGB-LJQANCHMSA-N 371.343 2.682 30 40 FFEB CS(=O)(=O)N(CC(=O)NC1CCCCCCC1)c1cccc(C#N)c1 25045815 OTKCNDSSCPGQGF-UHFFFAOYSA-N 363.483 2.553 30 40 FFEB C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(Cc2ccsc2)CC1 22931303 KGLOSPKLWMCTQJ-HNNXBMFYSA-N 354.479 2.765 30 40 FFEB C[C@@H]1Oc2ccc(N[C@H](C)C(=O)Nc3sccc3C#N)cc2NC1=O 12563899 YGRLLECLMLZSHJ-ZJUUUORDSA-N 356.407 2.778 30 40 FFEB O=C(COc1ccc(/C=N\c2cccc([N+](=O)[O-])c2)cc1)N1CCOCC1 409237110 JAFWDHQJMZILRY-MOSHPQCFSA-N 369.377 2.583 30 40 FFEB COc1cccc(CN(C)S(=O)(=O)Cc2ccc(C#N)cc2)c1OC 12764417 DXJAUABSNFMBDU-UHFFFAOYSA-N 360.435 2.537 30 40 FFEB CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1cccc(C#N)c1 3373615 INWIAIXBKHIIJS-UHFFFAOYSA-N 368.462 2.789 30 40 FFEB Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccc(C(=O)O)cc3)c2)c1 14242683 QGBZRHDDOKSVNH-UHFFFAOYSA-N 374.352 2.652 30 40 FFEB COc1ccc(/C=C/C(=O)NCCC(=O)Nc2ccc(CC#N)cc2)cc1 9544790 GEAMUGONKYVCTC-IZZDOVSWSA-N 363.417 2.919 30 40 FFEB C#CCOc1ccc(Br)cc1/C=N/n1c(C)nnc1S 408856476 HKCWOTIGCPTSOT-OVCLIPMQSA-N 351.229 2.532 30 40 FFEB N#Cc1cccc(N[C@H]2CO[C@]3(CCN(C(=O)c4ccsc4)C3)C2)n1 96072690 OKOUFMSWIWUTIO-CRAIPNDOSA-N 354.435 2.500 30 40 FFEB C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1 585123662 XVHPDKFOUSGZOI-KFKAGJAMSA-N 369.465 2.878 30 40 FFEB Cc1nc2c(C#N)cnn2c(O)c1CC(=O)N[C@H](c1ccccc1)C(C)C 40114987 IXFDIDNKBDQFHU-SFHVURJKSA-N 363.421 2.671 30 40 FFEB Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCN(c3cc(C#N)ccn3)CC2)c1 29447533 OAWGMHXGZLLFFL-QGZVFWFLSA-N 363.465 2.719 30 40 FFEB C=CCN(Cc1ccccc1F)C(=O)c1cnn(-c2ccc(O)nn2)c1C 58201950 KMCIQSNXQGRGDC-UHFFFAOYSA-N 367.384 2.644 30 40 FFEB N#CCCN(/N=C/c1ccc(F)cc1)C1=NS(=O)(=O)c2ccccc21 3667062 LPXRJDHQQSCAOE-UDWIEESQSA-N 356.382 2.524 30 40 FFEB COc1ccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c(OC)c1 14183577 UPGLDMVOPPITHF-LJQANCHMSA-N 365.433 2.726 30 40 FFEB CN(CC(=O)Nc1cc(Cl)ccc1C#N)C[C@H]1COc2ccccc2O1 8708747 HMJRIRWKJRVSPH-HNNXBMFYSA-N 371.824 2.922 30 40 FFEB C=CCN(C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)c1ccccc1 7473456 XYYZQATZDQWVGV-MGPUTAFESA-N 355.438 2.706 30 40 FFEB COc1ccc(Cc2n[nH]c(/N=C(\O)CNc3nc(C)cc(C)n3)n2)cc1 95477741 SVOXTWFWTSIOEZ-UHFFFAOYSA-N 367.413 2.511 30 40 FFEB CCc1ccc(S(=O)(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1C(=O)O 618631260 OSYGZBQNHLEMDH-SFHVURJKSA-N 370.430 2.785 30 40 FFEB N#Cc1ccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 12194624 RJCIMAYZVABAIR-UHFFFAOYSA-N 355.419 2.741 30 40 FFEB COc1ccc2nc(N=C3NCN([C@H]4CCCC[C@@H]4C)CN3)nc(C)c2c1 19332624 BRMXTQROGDLYIB-UGSOOPFHSA-N 368.485 2.923 30 40 FFEB N#CC1(C(=O)N2CCC3(CCC(=O)N3Cc3cccnc3)CC2)CCCC1 1565545379 HFZLUZCNKIPGGV-UHFFFAOYSA-N 366.465 2.649 30 40 FFEB Cc1cc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)no1 40086583 XTWYXIWUCFUOEQ-UHFFFAOYSA-N 367.365 2.958 30 40 FFEB CO[C@H]1C=CC(=O)[C@](C)(c2ccc(S(=O)(=O)c3ccccc3)cc2)O1 1589066 BSMULYPUCAQMJS-MOPGFXCFSA-N 358.415 2.863 30 40 FFEB CCOC(=O)c1sc(NC(=O)CSc2nnc(C)o2)c(C#N)c1C 7605279 GWUVCQRXNBSQIE-UHFFFAOYSA-N 366.424 2.527 30 40 FFEB N#Cc1ccccc1CN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 29935242 BQWLBIUEUQDEBI-UHFFFAOYSA-N 373.453 2.640 30 40 FFEB Cc1noc(N)c1C(=O)O[C@@H](C)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 54155870 XLUPMHFQFLYYKK-SEJMYLSOSA-N 369.421 2.991 30 40 FFEB N#Cc1cccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 12557043 SLBYTAPXQJDGPQ-UHFFFAOYSA-N 369.446 2.985 30 40 FFEB CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3sccc3C#N)ccc21 12517045 VLEFMGJBEQIZRB-LLVKDONJSA-N 354.435 2.968 30 40 FFEB CCOCCCn1cc(C(=O)c2cc(Cl)ccc2O)cc(C#N)c1=O 3252070 VQSXYOWOWVFFNL-UHFFFAOYSA-N 360.797 2.737 30 40 FFEB C=CCN1C(=O)N/C(=C/c2cc(Cl)cc(Br)c2O)C1=O 409143323 ZYKSPPGHPLZVFM-BJMVGYQFSA-N 357.591 2.887 30 40 FFEB Cc1cc(C)c(C)c(OCC(=O)O/N=C(\N)c2cccc([N+](=O)[O-])c2)c1 13957751 DDUFAMZRSXNAIX-UHFFFAOYSA-N 357.366 2.763 30 40 FFEB COc1cccc(/C=N/n2cnnc2)c1OCc1ccc([N+](=O)[O-])cc1 409081959 LLASUEGRBLRYCU-AWQFTUOYSA-N 353.338 2.656 30 40 FFEB C=CCN1CCC(NS(=O)(=O)c2ccc(Br)cc2C)CC1 184973209 RPTXCNRWPNNFMP-UHFFFAOYSA-N 373.316 2.686 30 40 FFEB C#CCN1CCC[C@@](C[C@@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)OCC)C1 19529979 PZUQQNOZIBUKSV-RXVVDRJESA-N 372.440 2.987 30 40 FFEB N#Cc1cccc(COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 4836329 SBUGTGVSRHOFSF-UHFFFAOYSA-N 370.430 2.700 30 40 FFEB COc1ccccc1CNC(=O)[C@@H](C)O/N=C/c1cccc([N+](=O)[O-])c1 15332476 MIFJUTGXSIEGOD-AYPRBGQRSA-N 357.366 2.659 30 40 FFEB N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(=O)c4cc[nH]c4)C3)C2)c1 1146882854 QIFAARNXLKGOIF-NRFANRHFSA-N 364.449 2.646 30 40 FFEB N#Cc1cccnc1N1C[C@H]2CN(Cc3csc(C4CC4)n3)C[C@@H]2C1 2086962037 NQRSRFKBDJBYBN-HZPDHXFCSA-N 351.479 2.855 30 40 FFEB Cc1ccccc1-c1nnc(SCC(=O)N[C@](C)(C#N)C(C)C)n1C 2656090 UWCUDKQXTFHQND-GOSISDBHSA-N 357.483 2.937 30 40 FFEB Cc1noc(C)c1CCC(=O)N1CCCN(c2ccccc2C#N)CC1 46849785 SWEKRZHYSWJIRV-UHFFFAOYSA-N 352.438 2.835 30 40 FFEB O=c1[nH]nc(O)c2cccc(/N=C/c3cc(Br)ccc3O)c12 712985 PPVKFFMSPUKRKF-REZTVBANSA-N 360.167 2.847 30 40 FFEB Cc1nnc(NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c(C#N)c1C 24053551 GZEIICRLENCVGT-SFHVURJKSA-N 355.417 2.590 30 40 FFEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 101317258 ULZMFLOMHBUJAE-LTUGMUNRSA-N 372.899 2.742 30 40 FFEB Cc1ccc(NC(=O)CN2CCN(c3cccc(F)c3C#N)CC2)cc1 57386062 GLJPXARDHLNCOH-UHFFFAOYSA-N 352.413 2.767 30 40 FFEB CN(CC(=O)Nc1ccc(Oc2ncccn2)cc1)c1ccc(C#N)cn1 62269738 ODHUEFKWUJAUOA-UHFFFAOYSA-N 360.377 2.610 30 40 FFEB C#CCOc1ccc(/C=C(\Sc2n[nH]c(C)n2)C(=O)O)cc1OCC 5967510 FYCYNWXCQCZKKV-GDNBJRDFSA-N 359.407 2.742 30 40 FFEB O=C(c1ccc(-n2ccnc2)c(C#Cc2ccccc2)c1)N1CCOCC1 72342943 BZDDXTPTTTXURQ-UHFFFAOYSA-N 357.413 2.745 30 40 FFEB CCOC[C@]1(C#N)[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)CC 242728147 YVECZIITEUXQBV-RBSFLKMASA-N 372.284 2.896 30 40 FFEB CC(C)(C)N1C(=O)CS[C@H](C(=O)NC2CC2)[C@H]1c1ccc(C#N)cc1 952964698 MFBSNHXIFBBQPL-SJORKVTESA-N 357.479 2.620 30 40 FFEB N#Cc1cnc(N2CCN(c3cc(C4CCC4)ncn3)CC2)c(Cl)c1 1888843158 PAHRWTCYZGZAPN-UHFFFAOYSA-N 354.845 2.991 30 40 FFEB N#Cc1cc2cc3c(cc2nc1SCC(=O)N1CCCCC1)OCCO3 1354941 BAVJTQOMGFSAAX-UHFFFAOYSA-N 369.446 2.982 30 40 FFEB CCCOc1c(Cl)cc(C(=O)OCC(=O)NCCC#N)cc1OCC 9717515 GYASTBRNTNRPMS-UHFFFAOYSA-N 368.817 2.714 30 40 FFEB COc1c(Cl)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1[N+](=O)[O-] 409352424 YVUXYDBFRXILNC-UHFFFAOYSA-N 374.740 2.555 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 6239004 PKEZJHPBWCOXJB-SFHVURJKSA-N 367.401 2.920 30 40 FFEB COc1ccc(C(C)=O)cc1CN(C)S(=O)(=O)Cc1ccccc1C#N 32903134 ISAQGDCWJMIJRR-UHFFFAOYSA-N 372.446 2.731 30 40 FFEB Cc1cc(Br)c(-c2ccc(/C=N/n3nnnc3N)o2)cc1C 5724771 FLNWPSCFNUOIOA-REZTVBANSA-N 361.203 2.777 30 40 FFEB C[C@H]1C[C@H]2[C@@H]3CC[C@@]4(OCC4=O)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]2(C)C=CC(=O)C=C12 4706349 UAELTFMDOIYQJQ-MJWISQFFSA-N 374.452 2.941 30 40 FFEB C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Br)cc1 4017146 HIEIFLKJPJTTPT-CYBMUJFWSA-N 351.200 2.806 30 40 FFEB Cn1cnnc1Sc1ccccc1NS(=O)(=O)c1cccc(C#N)c1 14093902 VSOBPBOVFLCHLJ-UHFFFAOYSA-N 371.447 2.639 30 40 FFEB COc1cc(Br)cc(/C=N/Nc2ncccc2[N+](=O)[O-])c1O 4675645 ODSDOGDVEIYMCE-FRKPEAEDSA-N 367.159 2.913 30 40 FFEB COc1ccc(CNC2=C(CN3CCOCC3)C(=O)CC(C)(C)C2)cc1 226758775 ZFKQXBLNOWOFQE-UHFFFAOYSA-N 358.482 2.760 30 40 FFEB Cc1cnc([C@H](C)C/N=C(/O)N2CCN(C3CCOCC3)C[C@H]2C)s1 330220818 LCKQDDGLZQBNPF-ZIAGYGMSSA-N 366.531 2.654 30 40 FFEB N#Cc1cccc(N[C@@H]2CO[C@@]3(CCN(Cc4ccc(F)cc4)C3)C2)n1 96047675 XEXRAPJTALDNQM-ICSRJNTNSA-N 352.413 2.938 30 40 FFEB Cc1cccnc1NC(=O)[C@H]1CCCN(c2nnc(C)c(C)c2C#N)C1 52468925 SODUYJWSOIMIRU-HNNXBMFYSA-N 350.426 2.524 30 40 FFEB CC[C@@]1(C)NC(=O)N(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 3528405 IHMOWLRDEFLDMA-HJSBDDGSSA-N 356.338 2.909 30 40 FFEB O=C1N/C(=N\c2cccc(C(=O)O)c2)S/C1=C\c1ccc([N+](=O)[O-])o1 2772509 IILXWWUUXWTSIK-XFFZJAGNSA-N 359.319 2.778 30 40 FFEB CCOC1(OCC)[C@H](c2ccc(N)cc2)C(C#N)(C#N)C1(OCC)OCC 721518 ATYOYRKKVNRSEG-QGZVFWFLSA-N 373.453 2.938 30 40 FFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 23437169 PHGAYRKDDFNBPE-QGZVFWFLSA-N 374.444 2.542 30 40 FFEB C[C@H]1CN(C(=O)c2ccc(CNc3ncccc3C#N)cc2)C[C@@H](C)O1 58178047 BKDKJHICKXRODU-GASCZTMLSA-N 350.422 2.815 30 40 FFEB O=C1C[C@@H](c2ccccc2)n2nc(/N=C(\O)COc3ccccc3)nc2N1 2405316 BDWVEYZMRUPGIR-HNNXBMFYSA-N 363.377 2.877 30 40 FFEB COc1cc([C@H]2NC(=O)NC3=C2C(=O)c2ccccc23)cc(OC)c1OC 28465877 VDTVRZUOKUCPNJ-MRXNPFEDSA-N 366.373 2.674 30 40 FFEB C[C@@H]1CCc2c(sc(NC(=O)COc3ccc(C#N)cc3)c2C(N)=O)C1 2638880 NVJKUIXEEHAVIH-LLVKDONJSA-N 369.446 2.861 30 40 FFEB N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(=O)[nH]c3)s2)cc1 13683229 NQMNJLYSHKHSCG-UHFFFAOYSA-N 369.431 2.643 30 40 FFEB C/C(=N\NC(=S)[C@@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 5215483 IXXRBARQCKUKDD-XENGFHBVSA-N 370.430 2.959 30 40 FFEB CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)NC1(C#N)CCCC1 6353639 DXCKHCDFDMBQLL-UHFFFAOYSA-N 364.829 2.993 30 40 FFEB COC(=O)c1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccc(Cl)cc2)cc1 16741644 SYDWAINLSRRAEB-HNNXBMFYSA-N 371.776 2.993 30 40 FFEB Cc1ccc(-c2noc(CN3CCN(c4ccc(C#N)nc4)CC3)n2)cc1 75105301 QONYPTZXUCLQCA-UHFFFAOYSA-N 360.421 2.634 30 40 FFEB C#CCOc1c(Cl)cc(/C=C2/S/C(=N/C)N(C)C2=O)cc1OC 408929448 JPQBSYJEVGFCNJ-PKOZXGCMSA-N 350.827 2.893 30 40 FFEB CN(C(=O)OC(C)(C)C)[C@@H](CN=c1ccc(C#N)n[nH]1)Cc1ccccc1 585139175 GLDTVUMBIMOPQT-QGZVFWFLSA-N 367.453 2.660 30 40 FFEB COc1ccccc1/C=N/N1CCN(/N=C/c2ccccc2OC)CC1 1700751 UQZOCFQZJNFZPY-YHARCJFQSA-N 352.438 2.689 30 40 FFEB C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCC(=O)NC1 58277571 BAOYCBLFYUVAPK-NSHDSACASA-N 369.234 2.629 30 40 FFEB C#CCCN1CCN(C(=O)c2cccc(OCc3csc(C)n3)c2)CC1 58245140 YSDOGRTXTSTNMS-UHFFFAOYSA-N 369.490 2.812 30 40 FFEB Cc1ccc(C)c(OCC/C(O)=N/S(=O)(=O)c2c(C)nn(C)c2C)c1 48533517 KHYVYYVUDUJTRF-UHFFFAOYSA-N 365.455 2.768 30 40 FFEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cnc(Cl)c(Cl)c1 39587410 DWNPTHPVEICNLM-BJOHPYRUSA-N 358.225 2.988 30 40 FFEB N#Cc1cccc(NC(=O)COC(=O)c2cncc(Br)c2)c1 6225019 KEYJQOKTBYZMRP-UHFFFAOYSA-N 360.167 2.511 30 40 FFEB Cc1ccc(NC(=O)[C@@H]2CC(=O)N/C(=N/N=C/c3ccco3)S2)cc1 9330012 DNLLHOPMMOFRON-XKYMITNMSA-N 356.407 2.538 30 40 FFEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 5516326 KPEQTZRZUOPQFM-RGHHBTPQSA-N 372.899 2.742 30 40 FFEB Cc1cc2nc(N=C3NCN(Cc4ccccn4)CN3)nc(C)c2cc1C 19330204 CTBYIGJWVBZREG-UHFFFAOYSA-N 361.453 2.548 30 40 FFEB Cc1ccc(C)c(NC(=O)CN(C)C(=O)COc2ccc(C#N)cc2)c1 6932019 DAIOYWDKYCHVCH-UHFFFAOYSA-N 351.406 2.651 30 40 FFEB Cc1ccc([C@@H](C)NC(=O)CSc2nc(=O)[nH]c(C)c2C#N)cc1C 32776404 FEIUMTSAVBCGEQ-GFCCVEGCSA-N 356.451 2.536 30 40 FFEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCN(c2cccc(Cl)c2)CC1 84475264 DKXPNVGCKAHLRS-HNAYVOBHSA-N 362.905 2.905 30 40 FFEB N#Cc1cccc(NC(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 3230262 JNCPAHUODGPHSK-UHFFFAOYSA-N 359.725 2.915 30 40 FFEB COc1cc([C@@H]2C(C(C)=O)=C(O)C(=O)N2Cc2ccccc2)ccc1O 1323065 ABQMACZUPRQPCZ-GOSISDBHSA-N 353.374 2.885 30 40 FFEB biogenic CCS(=O)(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(C#N)c1 58165975 QNBMMHALXJTTEJ-CYBMUJFWSA-N 358.419 2.758 30 40 FFEB CCCCCCCCOC(=O)CSc1nc(O)cc(C(=O)OC)n1 103011275 CEURKFJVWQMEIU-UHFFFAOYSA-N 356.444 2.965 30 40 FFEB COc1cc(C2=N/C(=C\c3cccc(C#N)c3)C(=O)O2)cc(OC)c1OC 14176556 NYQSVGZJZPJDSF-NVNXTCNLSA-N 364.357 2.929 30 40 FFEB Cc1nnc(SCC(=O)NC2(C#N)CCCC2)n1Cc1ccccc1 4985227 ZYZRBBGLLIZGHA-UHFFFAOYSA-N 355.467 2.680 30 40 FFEB C/C(=N\Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1cccc(Cl)c1 4948181 YZBHEOUDSIPQKC-RQZCQDPDSA-N 368.802 2.732 30 40 FFEB COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1S/C(=N/C2CC2)NC1=O 7126701 XAKPQAHGKFLQEV-ZDUSSCGKSA-N 367.858 2.736 30 40 FFEB N#Cc1cnn(-c2cc(Oc3cccc(OC(F)(F)F)c3)ncn2)c1N 8715327 USTAUJKHUFUIAR-UHFFFAOYSA-N 362.271 2.807 30 40 FFEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(C#N)cnn32)cc1OC 40284799 REISELMLWYVPDI-GOSISDBHSA-N 350.378 2.794 30 40 FFEB CC1(C)OB(C2=CCN(C(=O)c3cnn4c3CCCC4)CC2)OC1(C)C 1776000135 BPMMQALSPISAPG-UHFFFAOYSA-N 357.263 2.623 30 40 FFEB COc1ccccc1OC/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCC2 48612229 ZTRBVEUCFIUZFJ-UHFFFAOYSA-N 361.419 2.908 30 40 FFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(C)CC(OC)OC)[C@H]3C[C@H]12 61695589 YHZOBPBMQMCRTE-QRXRQMIZSA-N 351.487 2.851 30 40 FFEB biogenic NC(=O)c1cncc(C#CC2(NC(=O)[C@@H]3CC=CCC3)CCCCC2)c1 12337532 ISGRUWWRVRTYSY-QGZVFWFLSA-N 351.450 2.707 30 40 FFEB C#CCN1C(=O)[C@@]2(c3ccccc31)c1[nH]c3ccccc3c1CCN2C(C)=O 13635438 RXLKZYDLWDUXRY-HSZRJFAPSA-N 369.424 2.796 30 40 FFEB C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@H]3[C@](C)(C(=O)C=C[C@@]3(C)CO)[C@@H]1C2 514288138 QRLARCRZOSOGMO-BMZUOMOUSA-N 360.450 2.925 30 40 FFEB biogenic,in-vitro CSc1cccc(N2C(=O)N(CC#N)S(=O)(=O)c3cccnc32)c1 49420942 MNNRMJHWCWXBTN-UHFFFAOYSA-N 360.420 2.589 30 40 FFEB C=CCn1c(=S)[nH]c(O)c([C@@H]2NCCc3c2[nH]c2ccccc32)c1=O 20411759 HXEVDNDJEKHDSF-HNNXBMFYSA-N 354.435 2.514 30 40 FFEB biogenic O=S(=O)(/N=C(\O)CSc1ccc2c(c1)OCCO2)c1ccccc1 48404474 IRNPASMCVKTALA-UHFFFAOYSA-N 365.432 2.895 30 40 FFEB C=CCN(C(=O)CSc1nnnn1C)c1nc(-c2ccccc2)cs1 4807927 GTQXLSUHWGCOAF-UHFFFAOYSA-N 372.479 2.645 30 40 FFEB CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc(C#N)cc1 15365267 SSNZBDUEQWOGBK-UHFFFAOYSA-N 366.446 2.624 30 40 FFEB C[C@@H](C#N)OC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 7564892 FPTKSYQIDHCVJU-AWEZNQCLSA-N 370.430 2.897 30 40 FFEB C=CCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 408703865 USJVJAYGJNBCMV-UHFFFAOYSA-N 356.875 2.821 30 40 FFEB N#Cc1cnc(N2CCN(c3cccc(-n4cccn4)n3)CC2)c(Cl)c1 2298065729 XOCFPRUWTTYDON-UHFFFAOYSA-N 365.828 2.514 30 40 FFEB Oc1ccc(/C=N\CCOCCOCC/N=C\c2ccc(O)cc2)cc1 100462744 SUCZNLSDAFHCOI-BMJUYKDLSA-N 356.422 2.669 30 40 FFEB C/N=C1\S[C@H](CC(=O)Nc2ccc(C)cc2Br)C(=O)N1C 101127059 CUZVFNJLVMZFFE-QSJBWMMGSA-N 370.272 2.646 30 40 FFEB CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 103504588 IGUMSVNQTWNVAD-MAUKXSAKSA-N 367.449 2.687 30 40 FFEB O=C1Nc2c(cccc2[N+](=O)[O-])N/C1=C\C(=O)c1cccc([N+](=O)[O-])c1 104238280 PFTBCKABHXBIRE-WQLSENKSSA-N 354.278 2.634 30 40 FFEB C=C(Br)CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 58419481 LACUPWHSJMLYLR-CQSZACIVSA-N 363.255 2.553 30 40 FFEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccc(O)cc1 6813256 NDEUJYUCBTXKDQ-KRWDZBQOSA-N 371.389 2.908 30 40 FFEB Oc1ccc(Br)cc1/C=N/n1c(S)nnc1C(F)(F)F 8227949 HYIONAIHTZMCLK-SYZQJQIISA-N 367.150 2.936 30 40 FFEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(O)cc2)cc1 19138125 JBKNSHLWIVHMJW-UGSOOPFHSA-N 367.401 2.660 30 40 FFEB CCc1ccccc1N=C[C@H]1C(=O)NC(=O)N(c2ccccc2OC)C1=O 408534171 LPGDSXAXVFIQEO-AWEZNQCLSA-N 365.389 2.859 30 40 FFEB CCOc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 408537680 WQAWWDNUGGKYTQ-MRXNPFEDSA-N 365.389 2.995 30 40 FFEB CC1(C)CC(=O)[C@@H]2[C@H](C1)O[C@H](N)[C@@H](C#N)[C@@H]2c1cnn(C2CCCC2)c1 408717926 SLOJVWAUJOWOGN-HZZCBIDNSA-N 356.470 2.910 30 40 FFEB CCc1ccccc1N=C[C@@H]1C(=O)NC(=O)N(c2cccc(OC)c2)C1=O 408536673 SKTUYZFMAUSPLU-MRXNPFEDSA-N 365.389 2.859 30 40 FFEB COc1cc2c(cc1OC)C(=O)/C(=C\c1c(C)nn(CCC(=O)O)c1C)C2 95475991 IRVAMXNVAFYXPK-ZSOIEALJSA-N 370.405 2.814 30 40 FFEB COCc1nc([C@@H]2CCCCN2C(=O)Nc2cc(C)cc(C#N)c2)n[nH]1 583365497 SYIRYEFDRXQOGS-HNNXBMFYSA-N 354.414 2.890 30 40 FFEB Fc1ccc2[nH]c3c(c2c1)/C(=N/NC(=S)NC[C@@H]1CCCO1)CCC3 102396564 WSOVTDOFZSPARY-DOTVFMQRSA-N 360.458 2.991 30 40 FFEB CCOC(=O)/C(=C/Nc1ccsc1C(=O)OC)C(=O)C(F)(F)F 100205892 XKTWHVIRYZPWPR-VOTSOKGWSA-N 351.302 2.525 30 40 FFEB N#Cc1ccc(NC(=O)CSc2nccnc2N2CCSCC2)cc1 48987212 TYZRRXDFLQPZGF-UHFFFAOYSA-N 371.491 2.632 30 40 FFEB COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(OC)cc1 6786024 IIYNCIDPQMRCMV-QGZVFWFLSA-N 371.389 2.903 30 40 FFEB biogenic COc1ccc(N2CCO[C@H]2c2cn(Cc3ccccc3C#N)nn2)cc1 216767077 RTNDDRSSYGCEHK-FQEVSTJZSA-N 361.405 2.742 30 40 FFEB N#Cc1ccc(OC[C@H]2CN(Cc3ccccc3)Cc3cncn3C2)nc1 96209812 MHQHUODZLVTKJI-IBGZPJMESA-N 359.433 2.861 30 40 FFEB CCN1CCC[C@@H]1CNC(=O)c1ccc(Oc2cncc(C#N)c2)cc1 685937858 XINCDBQCYMBJGF-QGZVFWFLSA-N 350.422 2.960 30 40 FFEB C#C[C@@](C)(CC)OC[C@@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1 12421434 DJKCECRJBDPFIG-ICSRJNTNSA-N 364.917 2.950 30 40 FFEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2ccncc2)no1 102891973 YECMTALLIWBMHD-DPEHCCBOSA-N 351.318 2.597 30 40 FFEB CC1(C)OB(c2cc(Br)ncc2Br)OC1(C)C 170025430 FBSPTENMODNNGF-UHFFFAOYSA-N 362.858 2.906 30 40 FFEB C=CCn1c(SCc2ccc(C#N)cc2)nnc1[C@@H]1CCS(=O)(=O)C1 21999006 IAQLMYCBKKHFAC-OAHLLOKOSA-N 374.491 2.530 30 40 FFEB Cc1nccn1-c1ccc(CNC(=O)CNc2ccc(C#N)cc2)cc1F 58417170 MXFKWRFEZPJJOK-UHFFFAOYSA-N 363.396 2.920 30 40 FFEB CCOC(=O)c1cccnc1N1CCN(c2cccc(F)c2C#N)CC1 48314503 IQCFDQDBMHQICT-UHFFFAOYSA-N 354.385 2.596 30 40 FFEB C=CCn1c(C)cc(C(=O)COC(=O)[C@H]2COc3ccccc3O2)c1C 6055170 QSLASLUATDYUJL-LJQANCHMSA-N 355.390 2.857 30 40 FFEB C#CCOc1c(Br)cc(/C=C2/SC(=N)NC2=O)cc1OC 4834934 UOBSCYXCVKUNGD-YRNVUSSQSA-N 367.224 2.608 30 40 FFEB CC(=O)n1c(C)c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21 409404485 DBBNRYDFRVQYAP-KODHJQJWSA-N 361.401 2.751 30 40 FFEB COC1=CC(=O)C[C@@H](C)[C@@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O 622126 DDUHZTYCFQRHIY-CQLKUDPESA-N 352.770 2.810 30 40 FFEB biogenic,in-vitro CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)o1 33151378 MEFZFESSNPUVPH-UHFFFAOYSA-N 353.425 2.542 30 40 FFEB Cc1occc1-c1nnc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n1C 7236596 BCYCIQVEBXRPGF-SJCJKPOMSA-N 361.471 2.919 30 40 FFEB Cc1cc(NC(=O)N2CC[C@@](F)(C#N)C2)ccc1-n1nnnc1C(C)C 615549839 OARMDEKLEDXQEV-QGZVFWFLSA-N 357.393 2.564 30 40 FFEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc(O)c1)c1ccco1 795080 JVRPUWHQGRCGHT-PBHICJAKSA-N 369.373 2.743 30 40 FFEB COC(=O)c1ccc(OC(C)C)c(NCC(=O)NC2(C#N)CCCC2)c1 58215149 WMDVOGNFPXRPLH-UHFFFAOYSA-N 359.426 2.625 30 40 FFEB CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Oc1ccccc1C#N 11400156 FDXZEBYBKQWTCS-HNNXBMFYSA-N 365.433 2.985 30 40 FFEB C=CCn1c(SCC(=O)NCCC)nnc1[C@@H]1COc2ccccc2O1 6852640 HUKYZPRHVFIAJI-HNNXBMFYSA-N 374.466 2.595 30 40 FFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 92573014 OLCXDUKDSMZQHV-YOEHRIQHSA-N 363.417 2.527 30 40 FFEB COc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc(Cl)c1O 409177228 FCCHRVSFRGNUGX-AIXYQGQMSA-N 360.797 2.585 30 40 FFEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F 32504635 OTGUYWADPVMQER-HJUNTIBCSA-N 370.471 2.617 30 40 FFEB CC(=O)/C(=N\Nc1ccc(Br)cc1)Sc1nncn1C 5495233 AHONGLYPFBCMCU-LFIBNONCSA-N 354.233 2.684 30 40 FFEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccccc1 102436630 KNUKLYIWUIQCIY-UYTDBDHRSA-N 356.447 2.731 30 40 FFEB CC(C)(C)c1ccccc1OCC(=O)NS(=O)(=O)c1ccc(C#N)cc1 42303463 VSEHPJIQGJSGNR-UHFFFAOYSA-N 372.446 2.740 30 40 FFEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)cc1OC 804246 RGBQLHFOHPLFTM-KRWDZBQOSA-N 354.410 2.953 30 40 FFEB C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CF 4212956 MYHOAFKYKANCBW-VWUMJDOOSA-N 364.457 2.759 30 40 FFEB Cc1ccccc1[C@H]1C2=C(Nc3c1c(=O)[nH]c(=O)n3C)c1ccccc1C2=O 4814221 OJBGFAULIXBWFV-HNNXBMFYSA-N 371.396 2.547 30 40 FFEB C=C(C)CN(CC)C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 12553105 RYVNEAKSCIHNFP-UHFFFAOYSA-N 350.484 2.946 30 40 FFEB CCS(=O)(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C#N 46287733 HZMZKPPUTLCEKT-CYBMUJFWSA-N 358.419 2.758 30 40 FFEB C[C@H](C(=O)NC1(C#N)CCCCC1)n1nnc(-c2ccc(Cl)cc2)n1 23939043 VTKZTCDXHCZLDH-GFCCVEGCSA-N 358.833 2.897 30 40 FFEB CN1C(=O)/C(=C\c2ccc(OCC(N)=O)cc2)S/C1=N/c1ccccc1 4679248 GGTKAVCWPMZXHT-XKOOYEHJSA-N 367.430 2.785 30 40 FFEB C[C@H](NS(=O)(=O)c1ccccc1C#N)c1ccc(-n2ccnc2)cc1 7050235 YFEUXIXSDAVCQW-AWEZNQCLSA-N 352.419 2.783 30 40 FFEB Cn1ncc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1C(F)F 598868461 BDTPBTHSRAVOPX-UHFFFAOYSA-N 360.364 2.665 30 40 FFEB COc1cc2c(Cl)c(C#N)cnc2cc1OCCCN1CCOCC1 89157277 PKRCOKRBEJMDCG-UHFFFAOYSA-N 361.829 2.870 30 40 FFEB C=C(C)COc1ccc2c(C)c(CCC(=O)NCCN(C)C)c(=O)oc2c1 12891944 OHSXCKICSYJBAN-UHFFFAOYSA-N 372.465 2.667 30 40 FFEB biogenic COC[C@H](C)/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)S1 15353608 BUAUMXNMBFNHSO-GXFFZTMASA-N 369.874 2.600 30 40 FFEB CCOc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2Cc2cccnc2)cc1 870992 OFOBASGNIHZMAG-GOSISDBHSA-N 352.390 2.965 30 40 FFEB Cc1ccc2oc(C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc(=O)c2c1 22068786 DRUMYEZMXLEEDD-XCLFUZPHSA-N 370.405 2.701 30 40 FFEB N#Cc1c(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCC2 102330053 RYXMVXQAXNBIMW-VIRABCJISA-N 360.435 2.705 30 40 FFEB CC1(C)CC(=O)C2=C(C1)Nc1nc(N)nc(N)c1[C@@H]2c1ccc(F)cc1 10339091 DGJUIANUKJAUDD-CYBMUJFWSA-N 353.401 2.981 30 40 FFEB N#Cc1ccc([C@@H]2CC(=O)Nc3c2c(O)nc2nc4ccccc4n32)cc1 13693019 MWUPTAVBTLCBKQ-ZDUSSCGKSA-N 355.357 2.934 30 40 FFEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@@H]1/C=N/[C@@H]1C[C@H]2CC[C@H]1C2 408532506 IHCSIUBWGFVWBJ-COTYFULKSA-N 359.813 2.798 30 40 FFEB C#CCOC(=O)c1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1 73634503 MGGQXHPLCSDOBF-UHFFFAOYSA-N 352.297 2.662 30 40 FFEB C[C@H](C/N=C(/O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)S(N)(=O)=O 331237387 MVOGSWMNVHFFKK-LLVKDONJSA-N 370.515 2.969 30 40 FFEB N#Cc1ccccc1N1CCCN(CC(=O)Nc2ccc(Cl)cn2)CC1 52801165 FDMWPAMWJISTCE-UHFFFAOYSA-N 369.856 2.757 30 40 FFEB O=C1N[C@H](c2ccccc2[N+](=O)[O-])/C(=C(\O)c2ccc(Cl)cc2)C1=O 102547581 UKAGVCOQXWSQLN-SXWSKBOKSA-N 358.737 2.958 30 40 FFEB O=S(=O)(/N=C(\O)C1=Cc2cc(Cl)ccc2OC1)c1cccnc1 42322253 NHDIDOFTFDMAAO-UHFFFAOYSA-N 350.783 2.856 30 40 FFEB Cc1ccc(N/N=C2\C(=O)N(C(N)=S)N=C2c2ccccc2)c(C)c1 5489086 BNLUOVIBWMCHAG-PGMHBOJBSA-N 351.435 2.561 30 40 FFEB Cc1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2CCN(C)C)o1 6813304 YPSLDBYMTQYKRF-DPEHCCBOSA-N 360.435 2.633 30 40 FFEB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)c1cccc(C#N)c1 7699474 NXFHZZGGKTWSPG-AWEZNQCLSA-N 367.434 2.521 30 40 FFEB CC(C)C[C@@H](C(=O)N[C@@](C)(C#N)C1CC1)N1C(=O)c2ccccc2C1=O 9515539 RATJCJHGKNFCQW-JXFKEZNVSA-N 353.422 2.506 30 40 FFEB CC(=O)C1=C(O)C(=O)N(CCCCCC(=O)O)[C@H]1c1ccc(N(C)C)cc1 18087713 QRCYMJBYBYHVRY-SFHVURJKSA-N 374.437 2.682 30 40 FFEB COC(=O)c1ccc(NC(=S)N/N=C/c2ccc(OC)c(OC)c2)cc1 1085213 OEGGITZREBJOIA-YBFXNURJSA-N 373.434 2.811 30 40 FFEB O=C(O)Cn1/c(=N/N=C/c2ccc([N+](=O)[O-])cc2)sc2ccccc21 1609455 ZOOHPIGIWTWRLC-RGJFUNKGSA-N 356.363 2.630 30 40 FFEB COc1cc(/C=N/Nc2oc(C)nc2C#N)cc(Br)c1O 4276493 OCHBVXGPJCBFMY-OMCISZLKSA-N 351.160 2.777 30 40 FFEB CC(C)[C@@](C)(C#N)NC(=O)CNc1cccc(I)c1 40162278 BABVKKWKRDXHIA-CQSZACIVSA-N 371.222 2.758 30 40 FFEB O=C(CON=C1CCC2(CC1)OCCO2)NCc1ccc(Cl)cc1 32936843 CIIBRYGDQFMFMF-UHFFFAOYSA-N 352.818 2.646 30 40 FFEB COc1ccc(OC)c([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(O)cc2)c1 847056 NJJPOOPTAJEMET-GOSISDBHSA-N 369.373 2.898 30 40 FFEB C[C@H](NS(=O)(=O)CC1(C#N)CCCC1)c1cccc(-n2cccn2)c1 95467504 GMXZMBRYZJJNGH-HNNXBMFYSA-N 358.467 2.937 30 40 FFEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cccc(Br)c1 3535204 QOLIZBWMNBEODM-OAHLLOKOSA-N 353.216 2.660 30 40 FFEB COc1cc(/C=N/N=C/c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OC 4705063 DHGDNHNLKJTZQV-BEQMOXJMSA-N 358.310 2.973 30 40 FFEB O=[N+]([O-])c1ccc(/C=N/c2ccc(N3CCN(CCO)CC3)cc2)s1 19890442 FQAXKVVZFPUSDH-QGOAFFKASA-N 360.439 2.521 30 40 FFEB COc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(Cl)cc3)C2=O)cc1 408533812 KTMHHFCOBZWBRA-OAHLLOKOSA-N 371.780 2.950 30 40 FFEB Cc1nnc(N=C(O)[C@H](c2cccc(F)c2)N2CCOCC2)n1C1CC1 329090858 WQNLCSBDABIKPG-INIZCTEOSA-N 359.405 2.722 30 40 FFEB N#Cc1ccc(OCC(=O)Nc2cccnc2N2CCSCC2)cc1 51989665 DDGFFXLNWFRFIQ-UHFFFAOYSA-N 354.435 2.524 30 40 FFEB C[C@H](OC(=O)c1cc2ccccc2c(=O)[nH]1)C(=O)Nc1cccc(C#N)c1 21590773 GSCQPGUSXVXGOU-LBPRGKRZSA-N 361.357 2.584 30 40 FFEB COc1ccc(C(=O)N2CCN(c3snc(Cl)c3C#N)CC2)cc1 47405319 LASXSGRMTIIRDH-UHFFFAOYSA-N 362.842 2.639 30 40 FFEB O=C(O)COc1ccccc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 665809 CGACKUQPRORHSW-UHFFFAOYSA-N 367.401 2.851 30 40 FFEB N#Cc1c(N)oc2c(c1=O)CC[C@@H](/N=C/c1cccc(Br)c1)C2 2300712 SDHNNJIWQDIIQX-PITUFAOZSA-N 372.222 2.833 30 40 FFEB C[C@@H]1CCCCN1Cc1ccc(C/N=C(/O)N[C@H]2CCC(=O)N(C)C2)cc1 329657333 GSWMBNYWFHWZNM-APWZRJJASA-N 372.513 2.685 30 40 FFEB N#Cc1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCC2 225747583 RYXMVXQAXNBIMW-MXYBEHONSA-N 360.435 2.705 30 40 FFEB CC(=O)c1ccc2c(c1)CCN([C@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 677380047 PJUKGMXWXDPPQZ-QFIPXVFZSA-N 373.456 2.967 30 40 FFEB COCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC[C@@H](C)C1 13583777 CITRNLJPNUUQSL-CABCVRRESA-N 368.437 2.663 30 40 FFEB C=CCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc[nH]3)nnc12 6022319 QBYNEJRMCLSRSK-UHFFFAOYSA-N 365.418 2.533 30 40 FFEB O=S(=O)(/N=C(\c1ccc(Cl)cc1)N1CCOCC1)c1ccccc1 18210292 XVBMGXHPNGGCFH-HTXNQAPBSA-N 364.854 2.808 30 40 FFEB O=c1[nH]c(O)c(/C=N/c2ccc(Cl)cc2)c(=O)n1-c1ccc(F)cc1 101578862 KAFOQVOGJRJZRR-AWQFTUOYSA-N 359.744 2.775 30 40 FFEB CC1CCN(C[C@H]2CCCN(C(=O)COc3ccc(C#N)cc3)C2)CC1 58268488 WBYMYJQKAUUAGG-LJQANCHMSA-N 355.482 2.908 30 40 FFEB CCOc1cc(C#N)ccc1OCC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 12983122 HDMBOSWLLUOAQG-UHFFFAOYSA-N 367.405 2.783 30 40 FFEB CCCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1cccc(C#N)c1 25654681 KBHDCZCDHXBGHQ-INIZCTEOSA-N 372.446 2.799 30 40 FFEB COc1ccc(C(=O)N[C@H](C(=O)Nc2cccc(C#N)c2)C(C)C)cc1 2652274 OKUKUFWIUHKKRV-SFHVURJKSA-N 351.406 2.960 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN)[C@@H]2c2cccs2)cc1 3766472 QDCJOHGZVOIIOL-MRXNPFEDSA-N 372.446 2.684 30 40 FFEB CCOC(=O)C1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 7812106 QCVXZFNDANXMGP-UHFFFAOYSA-N 361.467 2.516 30 40 FFEB COc1ccc([C@]2(C)NC(=O)N(Cc3ccccc3C#N)C2=O)cc1OC 8726249 JIVCFHYQQJTYJP-FQEVSTJZSA-N 365.389 2.543 30 40 FFEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccn1 409308481 XLZBGXWQNRWCTO-UHFFFAOYSA-N 357.211 2.999 30 40 FFEB COc1ccc2oc(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c(C)c2c1 7783596 UKTPPEDFUHAKMW-IBGZPJMESA-N 358.394 2.961 30 40 FFEB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1CCOCCC#N 571266598 SMMCIHBIPYSPDX-FQEVSTJZSA-N 368.481 2.852 30 40 FFEB C=CCSc1nnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 223462202 WXPYNHDFCQJZFZ-UHFFFAOYSA-N 358.426 2.525 30 40 FFEB N#Cc1nn(-c2ccccc2F)nc1N1CCN(c2ccccc2F)CC1 256047254 LKPMZVODIQUBJH-UHFFFAOYSA-N 366.375 2.744 30 40 FFEB N#Cc1nc([C@@H]2C[C@H]2c2ccc(F)cc2)oc1N1CCC(C(N)=O)CC1 1775975096 DNYFPFKQEKPZRA-LSDHHAIUSA-N 354.385 2.658 30 40 FFEB Cc1onc(CC(=O)N2CCOC[C@H]2c2nc3ccccc3s2)c1C#N 619730848 BCSBIERUPJIIQD-HNNXBMFYSA-N 368.418 2.607 30 40 FFEB NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1CCc1ccc(Cl)cc1 11692124 TXGPUDSPZCCDMJ-UHFFFAOYSA-N 352.825 2.971 30 40 FFEB Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3F)CC2)cc1 24014186 RGSSORYZKLKXDM-UHFFFAOYSA-N 373.453 2.512 30 40 FFEB COc1ccc([C@H]2/C(=C(/C)O)C(=O)C(=O)N2Cc2cccnc2)c(OC)c1 102724516 SYKKZRDHZPDKAN-WQJNHMDYSA-N 368.389 2.583 30 40 FFEB CCN(CC(=O)NC(C)(C)C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 42976735 OFCLAYHYIPCURH-UHFFFAOYSA-N 372.513 2.787 30 40 FFEB C[C@@H](CCN1CCN(c2ccccc2)CC1)NC(=O)N1CCC(C#N)CC1 58247012 OORQSIVRGZGRNO-SFHVURJKSA-N 369.513 2.532 30 40 FFEB N#Cc1ccc([C@H]2CC(=O)Nc3c2c(O)nc2nc4ccccc4n32)cc1 13693020 MWUPTAVBTLCBKQ-CYBMUJFWSA-N 355.357 2.934 30 40 FFEB CC(=O)N[C@H](/C(O)=N/S(=O)(=O)c1ccc(C)c(C)c1)C1CCCC1 48473991 KMZVTRAMFVPFQX-INIZCTEOSA-N 352.456 2.644 30 40 FFEB C=CCOc1ccc(NC(=O)C2(C3(C(=O)N4CCCC4)CC3)CC2)cn1 225926164 JACNYGYRDRPADV-UHFFFAOYSA-N 355.438 2.768 30 40 FFEB CCn1c(C2=C3NC(=O)c4cc(C)ccc4N3CC2=O)nc2ccccc21 102230672 LACDCJDZNRWSAS-UHFFFAOYSA-N 358.401 2.866 30 40 FFEB C=CCOc1ccc([C@H]2CC(=O)Nc3nc(SCC)[nH]c(=O)c32)cc1 4944408 PWKJEJFMDHABIA-CYBMUJFWSA-N 357.435 2.921 30 40 FFEB COc1ccc(-n2cc(C(=O)c3cc(C)ccc3O)cc(C#N)c2=O)cc1 3252050 RTXYIFCZKBOWIA-UHFFFAOYSA-N 360.369 2.963 30 40 FFEB COc1cccc(/C(O)=N/S(=O)(=O)Cc2ccc(Cl)nc2)c1OC 58152960 SBBYQHMANHZHSP-UHFFFAOYSA-N 370.814 2.587 30 40 FFEB Cc1ccccc1N1CCN(Cc2nc3ccccc3c(=O)n2CC#N)CC1 29032123 DDPDGCHHZHTVTB-UHFFFAOYSA-N 373.460 2.551 30 40 FFEB C[C@H](OC(=O)c1cnn(C)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 12853023 XKKQYRHIHAYRFF-NSHDSACASA-N 372.450 2.806 30 40 FFEB C/C(=N\Nc1nc(N2CCCC2)nc(N2CCCC2)n1)c1ccc(O)cc1 408726232 KHBYWWXHHNNMCP-OEAKJJBVSA-N 367.457 2.614 30 40 FFEB CN(c1cc(C(=O)Nc2cccc(C#N)c2)ccc1Cl)S(C)(=O)=O 225971621 CKZXZFPJDOEFPZ-UHFFFAOYSA-N 363.826 2.860 30 40 FFEB N#C[C@H]1C(=O)Nn2c(c(-c3ccccc3)[nH]c2=N)[C@@H]1c1ccc(Cl)cc1 618257297 UNDPHQIIQMHCMN-HUUCEWRRSA-N 363.808 2.971 30 40 FFEB CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccc(C#N)cc1 678338 ZBENILHHARJIIG-UHFFFAOYSA-N 358.361 2.965 30 40 FFEB COc1ccc(NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1OC 4119713 SXIHYYRCAGGGOY-YPUOHESYSA-N 372.343 2.752 30 40 FFEB C=CCNC(=O)CSc1nnc(NC(=O)Nc2ccc(F)cc2)s1 4851310 HFMQUAGIJFNHEZ-UHFFFAOYSA-N 367.431 2.716 30 40 FFEB COC(=O)COc1ccc2c(c1)O/C(=C/c1cccc(OC)c1OC)C2=O 2154955 JMPXZACWRXRMJC-RQZCQDPDSA-N 370.357 2.872 30 40 FFEB COc1cc([C@@H]2C3=C(CCCC3=O)Nc3ncnn32)ccc1OC(F)F 1460558 XRRUVYMWMINLRC-OAHLLOKOSA-N 362.336 2.910 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(C)cc2)cc1 9110863 WHZKHECMQZSJAH-GOSISDBHSA-N 367.401 2.574 30 40 FFEB C=CCNC(=O)NC(=O)CSc1nc(-c2ccco2)nc2ccccc12 12760103 WVVLJEIAJHMKTG-UHFFFAOYSA-N 368.418 2.994 30 40 FFEB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccc(C#N)cc1 3363529 IBJWGQUZPLBOLA-FQEVSTJZSA-N 361.401 2.830 30 40 FFEB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1C=Nc1cccc(Cl)c1 408537318 VGFKQLUSEFYGII-GVARAGBVSA-N 359.813 2.926 30 40 FFEB O=C(/N=C(/Cn1cncn1)NNc1cccc(Cl)n1)Nc1ccccc1 5279246 KXERYEJCOSBGJZ-UHFFFAOYSA-N 370.804 2.574 30 40 FFEB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1ccc(C#N)cc1 14158579 ADZRPTGKOJCJFC-HNNXBMFYSA-N 362.433 2.754 30 40 FFEB Cn1ccnc1[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(F)cc1 9338196 HCBFQBRYNWGYAE-IBGZPJMESA-N 364.380 2.715 30 40 FFEB C=CCNC(=O)NC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 15033587 FOXVGWNWHORLOI-SFHVURJKSA-N 355.463 2.707 30 40 FFEB COc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 408536001 PMBKMGWCAMRMEK-OAHLLOKOSA-N 351.362 2.605 30 40 FFEB C#C[C@]1(O)CCCC[C@H]1NCc1cc2c(cc1Br)OCO2 226097806 UUEZHLQJANLCBX-CVEARBPZSA-N 352.228 2.574 30 40 FFEB N#Cc1ccc(N(Cc2cccnc2C#N)Cc2cccnc2C#N)cn1 84847066 MGYJYXRHCRJQQV-UHFFFAOYSA-N 351.373 2.693 30 40 FFEB Cc1cc(OCCn2c(=O)c(C#N)cn(C3CC3)c2=O)ccc1C(C)C 29750245 DIIPTBDHJDZQAG-UHFFFAOYSA-N 353.422 2.727 30 40 FFEB COC(=O)COC(F)(F)[C@H](F)OC(F)(F)C(F)(F)C(F)(F)F 1565660590 WAVLQWDNFRYPBA-SCSAIBSYSA-N 356.112 2.871 30 40 FFEB COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3)C(=O)N2C)cc1 14001697 PSPNNXRTVYPEMT-ZJYNUGOYSA-N 355.419 2.895 30 40 FFEB N#CC1(C(=O)N2CC[C@@]3(C[C@H](Nc4ccccn4)CCO3)C2)CCCC1 1565551445 QRGYEQAWYAGCNZ-OXQOHEQNSA-N 354.454 2.728 30 40 FFEB COc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C)nn32)c(OC)c1 22608102 WHVLAOQBCZODTB-YPMLDQLKSA-N 354.410 2.872 30 40 FFEB C=CCN1C(=O)/C(=C\c2ccc(C)cc2)N=C1SCC(=O)NCCC 2184456 NATHICJLUAPCSW-FOWTUZBSSA-N 357.479 2.980 30 40 FFEB COC(=O)COc1ccc2c(c1)O/C(=C\c1cc(OC)ccc1OC)C2=O 2156595 ZOTQVXWZEPBQAV-NVMNQCDNSA-N 370.357 2.872 30 40 FFEB biogenic COC(=O)[C@]1(C)CCC[C@@]2(C)C3=C[C@@H](O)[C@]4(C(C)C)O[C@H]4[C@@]3(O)CC[C@@H]12 103886223 PLTJWYBYCUOFOL-DJPBDTOTSA-N 364.482 2.592 30 40 FFEB CC(C)Oc1c(C=Nn2c(O)nc3ccccc3c2=O)cccc1[N+](=O)[O-] 409358430 TVEJAYUNSRGMKS-UHFFFAOYSA-N 368.349 2.680 30 40 FFEB Cc1ccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 16512469 BXRVHPLPYFEEPE-OAHLLOKOSA-N 350.422 2.764 30 40 FFEB COc1ccc(NC(=O)[C@@H](C)Sc2ncc(C#N)c(N)n2)cc1Cl 8734613 MTULOVQQCMUIRJ-MRVPVSSYSA-N 363.830 2.712 30 40 FFEB CNC(=S)N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 96893669 ISFDURVMLHSRNL-PDHZICCSSA-N 356.495 2.530 30 40 FFEB C[C@H](NC(=O)c1ccc(C#N)cn1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 95952915 DZXHTGLQEUMEKL-DZGCQCFKSA-N 358.442 2.719 30 40 FFEB CCOC(=O)C(=C/N=C(\S)Nc1ccc(OCC)cc1)C(=O)OCC 5499883 XOMTYPXRGGMOAM-UHFFFAOYSA-N 366.439 2.793 30 40 FFEB CCNC(=O)COc1ccc(/C=C2/COc3ccccc3C2=O)cc1OC 33476734 LDHYSALIZHCBFY-GDNBJRDFSA-N 367.401 2.869 30 40 FFEB COc1cc(C#N)cc(Cl)c1OC(=O)CCNC(=O)c1ccccc1 24042735 XIAPOJMPPCTSQZ-UHFFFAOYSA-N 358.781 2.946 30 40 FFEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OC)cc1OC)CC(=O)N2 4944434 QSOXYCMDEJPWFU-LBPRGKRZSA-N 373.434 2.539 30 40 FFEB Cc1noc(C)c1CSCC(=O)OCC(=O)Nc1sccc1C#N 3450235 RCQOECIENXDYMS-UHFFFAOYSA-N 365.436 2.640 30 40 FFEB C#CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 408815287 PXRXQKWPONXKDF-GHRIWEEISA-N 374.396 2.982 30 40 FFEB CCN(CC(=O)Nc1cccc(C#N)c1)S(=O)(=O)c1cc(C)ccc1C 225931625 LZDHLLRRBISGHX-UHFFFAOYSA-N 371.462 2.824 30 40 FFEB CCOC(=O)[C@H](C#N)[C@@H](c1cc(Cl)ccc1O)[C@H](C#N)C(=O)OCC 248289655 JVFDZIHTCPFBRW-AGGWBTHJSA-N 364.785 2.535 30 40 FFEB CCOc1cc(C#N)ccc1OCC(=O)OCC(=O)N[C@@H]1CCCC[C@H]1C 17730759 MMZFBKZGLPADES-GDBMZVCRSA-N 374.437 2.574 30 40 FFEB CCOc1ccc(S(=O)(=O)N/N=C/c2ccc(OCC)cc2O)cc1 3575200 CQASEXCHTXXFIN-LDADJPATSA-N 364.423 2.502 30 40 FFEB COc1ccc(/C=C/C(=O)[C@H]2C(=O)C=C(C)OC2=O)cc1Br 24602412 JBLQMOIXKVZQDO-UJAVWCLSSA-N 365.179 2.686 30 40 FFEB C=CCNC(=S)N/N=C(\c1cccs1)C1C(=O)c2ccccc2C1=O 100936836 MUCSXTDNDRSZQX-HMMYKYKNSA-N 369.471 2.798 30 40 FFEB CCn1cnnc1-c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 32096178 HDQIHLPBIQOFBY-UHFFFAOYSA-N 353.407 2.637 30 40 FFEB C=CCOc1ccc(CN(C)CN2C(=O)NC3(CCCCC3)C2=O)cc1 23641446 LUEGIIWZKPBSOM-UHFFFAOYSA-N 357.454 2.895 30 40 FFEB Cc1ccc(N2/C(=N\C(=O)CC(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 101305765 CCYOHRGMNPFLHY-YTRIFDNDSA-N 366.508 2.643 30 40 FFEB N#Cc1cccnc1SCC(=O)N1CCN(c2ccc(F)cc2)CC1 71326947 AYGJIUYNECWWOG-UHFFFAOYSA-N 356.426 2.533 30 40 FFEB c1ccc2c(c1)nc(CCc1nc3ccccc3n1C[C@H]1CO1)n2C[C@H]1CO1 13510299 CUELOFIXKPKDDH-HOTGVXAUSA-N 374.444 2.969 30 40 FFEB C/C(=N\OCc1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 6046901 GZTBPEYZQGHPDK-XSFVSMFZSA-N 357.435 2.749 30 40 FFEB CN(C)c1ccc(/C=N\N=C2\NC(=O)[C@H](Cc3ccccc3)S2)cc1 5008916 JNOSHHQFNJELSS-IZQLPPHKSA-N 352.463 2.917 30 40 FFEB COc1ccc(S(=O)(=O)/N=C(\O)[C@H](C)Oc2ccccc2C#N)cc1C 66887513 IZVSNPPFHIMCSC-ZDUSSCGKSA-N 374.418 2.988 30 40 FFEB COc1ccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1 408751591 AEGOMJHFNLOCKI-YODDIOPGSA-N 367.430 2.770 30 40 FFEB CCCCOC(=O)c1cccc(-c2ccc(C=NNc3nncn3N)o2)c1 254750988 WZJZPBPQBDJLEM-UHFFFAOYSA-N 368.397 2.655 30 40 FFEB Cc1cc(Br)c(-c2ccc(/C=N\n3nnnc3N)o2)cc1C 16267980 FLNWPSCFNUOIOA-IDUWFGFVSA-N 361.203 2.777 30 40 FFEB CCc1cccc(CC)c1NC(=O)CSc1nc(=O)[nH]c(C)c1C#N 32776355 DCUZMLYMGMBCDE-UHFFFAOYSA-N 356.451 2.806 30 40 FFEB N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1/N=C/c1ccc(-c2ccccc2)cc1 36338905 XFUBLXIBBIUHKG-NYRALTDYSA-N 371.487 2.837 30 40 FFEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cnccn1 2386919 JXSGINZUNZUQDU-UHFFFAOYSA-N 370.413 2.791 30 40 FFEB C/C(=N\Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1Cl 5612716 NKRKRZFNJVJDBO-RQZCQDPDSA-N 368.802 2.732 30 40 FFEB Cc1csc([C@H](C#N)C(=O)CSc2nnnn2-c2cccc(F)c2)n1 7760983 ZXQVGYQMXHJTBV-GFCCVEGCSA-N 374.426 2.535 30 40 FFEB C=CCN1CCC[C@@]12CCCN(S(=O)(=O)c1ccc(OC)cc1)C2 96214830 BGUGOLNNWJYQPQ-SFHVURJKSA-N 350.484 2.500 30 40 FFEB CCCCCCCCNC(=O)c1nnc2n(c1=O)CCN2c1ccccc1 101028335 GABYWBZTMOYLGU-UHFFFAOYSA-N 369.469 2.880 30 40 FFEB COc1ccc(C(C)=O)cc1CON=C1CCN(c2ncccn2)CC1 40105313 XMIIJJJHVCRRIA-UHFFFAOYSA-N 354.410 2.861 30 40 FFEB COc1ccc(C(=O)NCCCc2nn3c(C)cc(C)nc3c2C#N)cc1 32913233 ZXYIICLVZIQECG-UHFFFAOYSA-N 363.421 2.589 30 40 FFEB CN(CC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1ccccc1Cl 3584725 YMRKWQSMRFXGHB-UHFFFAOYSA-N 356.813 2.721 30 40 FFEB CCNC(=O)COc1ccc(/C=C2/Oc3cc(O)ccc3C2=O)cc1OC 96930462 YGDULCPXOIBZOG-GIJQJNRQSA-N 369.373 2.532 30 40 FFEB C[C@H](Sc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccccc1C#N 20312311 XZYBINXTJPVMFL-NSHDSACASA-N 350.403 2.914 30 40 FFEB C=C(C)CN1CCN(C(=O)CCn2cc(C(C)=O)c3ccccc32)CC1 36741143 RAGZTPHZSJZUEM-UHFFFAOYSA-N 353.466 2.954 30 40 FFEB CCN(C[C@@H]1COc2ccccc2O1)C(=O)COc1ccc(C#N)cc1 32966754 WCZFAEFPZGLJEY-QGZVFWFLSA-N 352.390 2.626 30 40 FFEB CN([C@H](CCc1ccccc1)C(F)F)S(=O)(=O)c1cccnc1C#N 585123495 RMMXEGYLAUMBTQ-OAHLLOKOSA-N 365.405 2.840 30 40 FFEB CC(C)(C)OC(=O)NC1(C=O)CCN(C(=O)OCc2ccccc2)CC1 390822761 IZWVYJBWDSJOSM-UHFFFAOYSA-N 362.426 2.881 30 40 FFEB C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H]2CCCN2C1=O 13415188 KUGNSEAHJVSMAJ-DLBZAZTESA-N 351.450 2.663 30 40 FFEB biogenic C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(F)c1 6295060 BMMVSPSOCOMPRR-SJKOYZFVSA-N 355.365 2.785 30 40 FFEB CCOc1cc(/C=N/Nc2nncn2N)ccc1OCc1ccccc1F 15081724 ZYRDHJSFUGWDQT-UFFVCSGVSA-N 370.388 2.555 30 40 FFEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(=O)O)[C@H]2c2ccc(F)cc2)cc1 17888431 CDELJOFDPHORSL-KRWDZBQOSA-N 369.348 2.797 30 40 FFEB CCOc1cc(C#N)ccc1O[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 32945481 TUMITZYGOKYKLN-CYBMUJFWSA-N 368.389 2.769 30 40 FFEB CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@H]2C=CCC2)cc1 104308278 AVCLBKRMLKWNBQ-UXPDKRSESA-N 361.467 2.794 30 40 FFEB CCc1ccc(NC(=O)CN(c2cccc(C#N)c2)S(C)(=O)=O)cc1 23617130 FDLTUAHKRHBOHO-UHFFFAOYSA-N 357.435 2.525 30 40 FFEB CCOCCCN/C(S)=C(/C(=O)c1ccc(OC)cc1)[n+]1ccccc1 3261647 DPHKWLVPEZVLRI-UHFFFAOYSA-O 373.498 2.938 30 40 FFEB CCC/C=C/[C@H](O)[C@@H](COP(=O)(O)O)NC(=O)CCCCCCC 100044935 BDLMAKNUEZQMJE-OVNLOREASA-N 365.407 2.658 30 40 FFEB N#Cc1ccc(F)c(COC(=O)CCn2nc(-c3cccs3)oc2=O)c1 29903046 HYPOSKDZCOLJLA-UHFFFAOYSA-N 373.365 2.709 30 40 FFEB C=CCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1 10324833 DHLKZAJMZQDVGU-AWEZNQCLSA-N 356.447 2.742 30 40 FFEB N#Cc1ccccc1NC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 12924733 ASQZMSCYMCRBKC-QGZVFWFLSA-N 362.433 2.847 30 40 FFEB COc1ccc(-n2c(=O)c3ccccc3n3c(SCC#N)nnc23)cc1 4269290 HULSKLSKDBPPPY-UHFFFAOYSA-N 363.402 2.658 30 40 FFEB CC(=O)N[C@H](C)c1ccc(S(=O)(=O)OCC(F)(F)C(F)F)s1 84651717 BKJCKGJKSJCIGF-ZCFIWIBFSA-N 363.354 2.551 30 40 FFEB N#Cc1ccc(C(=O)N2CCN(c3cc(-c4cccs4)n[nH]3)CC2)cc1 98211842 JQDTUTZEOJWJTB-UHFFFAOYSA-N 363.446 2.972 30 40 FFEB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 96031405 UKMWCKMREBLJGE-BPSSIEEOSA-N 362.441 2.677 30 40 FFEB in-vitro COc1ccc(/C=C2/Oc3cc(OCC(=O)O)ccc3C2=O)c(OC)c1 2128520 LTASRECSFOJROM-REZTVBANSA-N 356.330 2.783 30 40 FFEB C=CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nc2ncccc2c1=O 31614906 NHZYZYZCOTURBU-HIFRSBDPSA-N 372.494 2.765 30 40 FFEB C=CCNc1nc(C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)cs1 10136719 BZRYOGFMHOTLCB-UHFFFAOYSA-N 362.455 2.583 30 40 FFEB Cc1nn(CCCN2C(=O)CS/C2=N\C2CC2)c(C)c1Br 101647549 NRMSMPWSWXQSNT-PEZBUJJGSA-N 371.304 2.746 30 40 FFEB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1sc3c(c1C#N)CCCC3)CS2 69086618 LQABPRWILCYERQ-SJCJKPOMSA-N 361.492 2.891 30 40 FFEB COc1ccccc1CN/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20762595 GSFXGMLXSOQNQF-DEDYPNTBSA-N 370.409 2.564 30 40 FFEB N#CCCn1cc(C(=O)COc2ccc(-n3cnnn3)cc2)c2ccccc21 8187960 KCCCDGMKWPZJAG-UHFFFAOYSA-N 372.388 2.792 30 40 FFEB CCN(Cc1cccc(F)c1)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 9691543 YYHRHCJRAWDWLQ-UHFFFAOYSA-N 355.413 2.984 30 40 FFEB CC1=CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1C[C@]12O[C@H]1[C@@H](O)C(CO)=C[C@H]2O 35457264 VBZYLQJSPMDPOO-NCEGCGGISA-N 362.510 2.967 30 40 FFEB biogenic,in-vitro Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)C(=O)O)cc1 218358041 VSUFQRGPXVZPND-LMMKCTJWSA-N 355.415 2.838 30 40 FFEB CC1(C)CC(=O)C2=C(C1)Oc1ncn3[nH]c(=N)nc3c1[C@H]2c1cccs1 329788087 KWLYKALLGYSWAM-ZDUSSCGKSA-N 367.434 2.766 30 40 FFEB C=C[C@H](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)C(C)(C)c1ccccc1 1775990280 FJLZNMCGXLQPAA-MJGOQNOKSA-N 372.509 2.910 30 40 FFEB CN(CCc1ccccc1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 58394375 ZJOJXJYGRSKMSP-UHFFFAOYSA-N 359.433 2.857 30 40 FFEB COc1ccc2cc(C#N)c(SCC(=O)Nc3nonc3C)nc2c1 15935915 VWJKPNPTMRXKDP-UHFFFAOYSA-N 355.379 2.537 30 40 FFEB O=C1CN(c2cccc(C(F)(F)F)c2)C(=O)CN1/N=C/c1ccco1 1611023 CGXZGZBUMNKOBT-DNTJNYDQSA-N 351.284 2.508 30 40 FFEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[nH]c(=O)c1[C@@H]2c1ccccc1Cl 1431731 VVYJNZDCVWUHRU-CYBMUJFWSA-N 371.824 2.917 30 40 FFEB CCO/C(O)=N/c1nnc(SCC(=O)N[C@H]2CCCC[C@@H]2C)s1 32891730 WPQQINHGEMCNMW-UWVGGRQHSA-N 358.489 2.907 30 40 FFEB CCc1ccc(NC(=O)[C@@H](C#N)C(=O)C2CCN(C(=O)C3CC3)CC2)cc1 103504554 UUPVHMQNCGGLFL-SFHVURJKSA-N 367.449 2.545 30 40 FFEB COC(=O)c1ccc2c(c1)CCN2C(=O)[C@H](C)Oc1ccc(C#N)cc1 25182041 GHEDGDJKUBYZLF-ZDUSSCGKSA-N 350.374 2.701 30 40 FFEB C#CCNC(=O)COC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1 10890288 WECQGNBQSCSXRI-CSKARUKUSA-N 370.386 2.629 30 40 FFEB Cc1nn(CCC(=O)Nc2sc3c(c2C#N)CCC3)c(C)c1[N+](=O)[O-] 2782329 JDRMTSXKYKIHIK-UHFFFAOYSA-N 359.411 2.859 30 40 FFEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CC(=O)O)[C@H]2c2ccccc2)cc1 102873945 ICWKYINAQVXVEO-HVESIFNPSA-N 351.358 2.501 30 40 FFEB COc1cc(C#N)ccc1Oc1ccc(S(=O)(=O)N2CCCC2)cn1 12606260 ZUBMMKQTYVKHKP-UHFFFAOYSA-N 359.407 2.539 30 40 FFEB C=CCOc1ccc(/C=C/C(=O)OCn2nnc3ccccc3c2=O)cc1 3496531 UGEOCTGOJKEHIT-FMIVXFBMSA-N 363.373 2.570 30 40 FFEB N#CC1(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)CCCCC1 7019619 XKVUMCZHDNLINX-UHFFFAOYSA-N 361.751 2.863 30 40 FFEB CC1(C)OB(C2=CCN(C(=O)N3CCC[C@@](C)(O)CC3)CC2)OC1(C)C 1776007672 SLMCHWQJNCCGPV-LJQANCHMSA-N 364.295 2.607 30 40 FFEB C#CCOC[C@@H]1CCCN(C(=O)c2cc(OC)ccc2Br)C1 49031633 AJGRMZSIFFAVGX-CYBMUJFWSA-N 366.255 2.960 30 40 FFEB COc1ccccc1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 14182393 MMUYTDAZQKSFQX-GOSISDBHSA-N 353.397 2.857 30 40 FFEB COc1cccc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 14165539 YOTNADDTYZMWCQ-LJQANCHMSA-N 353.397 2.857 30 40 FFEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl 5490047 UACXWRDSGNZMLX-TWWIOWFMSA-N 372.899 2.742 30 40 FFEB Cc1ccc(N=C[C@@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)c(C)c1 408534439 LZGSWTGZNGEXFX-MPTYRVRUSA-N 353.422 2.889 30 40 FFEB Cc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(N(C)C)cc3)C2=O)cc1 408537832 XOFLYVPCAFBQSM-KRWDZBQOSA-N 364.405 2.663 30 40 FFEB Cc1ccc(N2C(=O)[C@H](/C=N/OCc3ccccc3)C(=O)NC2=S)cc1 408767008 UTGWCJLWVMGTBP-MBTVCVBTSA-N 367.430 2.562 30 40 FFEB N#C[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1 7067720 HINKZCQTJOSSRG-KRWDZBQOSA-N 365.364 2.583 30 40 FFEB N/C(CN1CCN(c2ccccc2)CC1)=N/OCc1cccc(Cl)c1 84549582 TUFGVECXJQNUAB-UHFFFAOYSA-N 358.873 2.951 30 40 FFEB CC(=O)N[C@]1(c2nc(C)cs2)CCN(c2ccc(Cl)c(C#N)n2)C1 548662180 VRYLBCKHTUSOSK-MRXNPFEDSA-N 361.858 2.613 30 40 FFEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)OC(N)=C2[N+](=O)[O-])cc1OC 706509 HVLVHVWSNMHNIY-OAHLLOKOSA-N 374.393 2.865 30 40 FFEB COC(=O)C1=C(C(C)=O)[C@H](c2ccc(C(C)(C)C)cc2)N2NN=NC2=N1 711574 RUQRACZDVJCADH-HNNXBMFYSA-N 355.398 2.598 30 40 FFEB COC(=O)C1=C(C(C)=O)[C@@H](c2ccc(Cl)cc2Cl)N2NN=NC2=N1 1104777 WJZUACZZPZKWQV-GFCCVEGCSA-N 368.180 2.608 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccnc1 4537375 WWVHPCHTFOSCHW-GOSISDBHSA-N 366.417 2.923 30 40 FFEB Cc1c(C#N)c(NC(=O)CSc2nnc[nH]2)n(-c2ccc(F)cc2)c1C 9336282 ZQVKGCHBVWTDNO-UHFFFAOYSA-N 370.413 2.954 30 40 FFEB CS(=O)(=O)NC1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 32899557 ZTUHBYXVYWZYFC-UHFFFAOYSA-N 369.490 2.739 30 40 FFEB COc1ccc([C@@H](C#N)C(=O)c2cc3c(c(OC)c2OC)OCO3)cc1 66088530 KKLWXEUOUZMAGG-CQSZACIVSA-N 355.346 2.931 30 40 FFEB C=CCOC(=O)NC1CCC(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)CC1 91690032 KVVFPFLUPHWWMO-JXQTWKCFSA-N 370.446 2.825 30 40 FFEB COCc1ccc(NC(=O)NCc2c(C(F)(F)F)cnn2C)cc1C#N 585123691 IYGDZCYKACIXKR-UHFFFAOYSA-N 367.331 2.779 30 40 FFEB Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@H]1CC(=O)N(C(C)C)C1 102125992 ZXCPWXBZVXZXEQ-DZGCQCFKSA-N 351.406 2.625 30 40 FFEB N#CCSc1nnc(NC(=O)CSc2nc3ccccc3[nH]2)s1 22263786 TXBWNODPPJHRDC-UHFFFAOYSA-N 362.465 2.761 30 40 FFEB COCCNC(=S)NCCCNc1nc2cc(C)c(C)cc2cc1C#N 4937094 YTIUHSUTECGOHP-UHFFFAOYSA-N 371.510 2.636 30 40 FFEB N#CCc1ccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1 12864788 JCVKBKYKUDFLPI-UHFFFAOYSA-N 374.400 2.641 30 40 FFEB COc1ccc(CNC2CCN(c3ccc(C#N)cn3)CC2)c(OC)c1 67011074 KZBQCLFUMAWDQY-UHFFFAOYSA-N 352.438 2.729 30 40 FFEB CCOc1ccc(/C=C/c2nc(C#N)c(N3CCC(C(N)=O)CC3)o2)cc1 8323860 ZCDMIUMKYBHENY-VMPITWQZSA-N 366.421 2.817 30 40 FFEB Cc1ccc2nc3c(cc(C#N)c(=N)n3CCc3ccccc3)c(=O)n2c1 100627184 HQPROUCXEHQPHE-UHFFFAOYSA-N 355.401 2.551 30 40 FFEB COc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1CN1CCOCC1 20478808 YQKYNIHJWSIXLI-FYJGNVAPSA-N 365.437 2.850 30 40 FFEB COc1ccc(Cl)cc1N/N=C(\C#N)C(=O)Nc1ccc(C(=O)O)cc1 23408370 YANWWKONPMFHPL-HYARGMPZSA-N 372.768 2.977 30 40 FFEB CCCCOc1ccc(CO/N=C/c2c(C)[nH]c(=O)[nH]c2=O)cc1Cl 2288634 WZGKSOVYYZYLGE-DJKKODMXSA-N 365.817 2.755 30 40 FFEB C=CCn1nnc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)n1 10010772 AEBNGHLVFXKCMA-UHFFFAOYSA-N 364.774 2.888 30 40 FFEB C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1C 4515086 HMUQSLQXYBNUEB-XCLFUZPHSA-N 357.454 2.974 30 40 FFEB CC(C)C[C@H](NC(=O)CSc1ncc(C#N)c(N)n1)c1ccccc1 7047151 OZAOOGWJDJERGN-HNNXBMFYSA-N 355.467 2.926 30 40 FFEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccccn1 8467813 RZJUYHXRHASIOL-IBOXJLQUSA-N 371.462 2.517 30 40 FFEB O=C1Oc2ccccc2C(=O)/C1=C/NC[C@@H](c1ccco1)N1CCCC1 1547200762 DICMHNYLEYZGPL-IRVMHKCDSA-N 352.390 2.692 30 40 FFEB C=CCOc1cccc(NS(=O)(=O)Cc2ccc(C(=O)OC)cc2)c1 38771278 DDNLDKATJUFMBL-UHFFFAOYSA-N 361.419 2.980 30 40 FFEB Cc1cc(Br)c(-c2ccc(C=Nn3nnnc3N)o2)cc1C 254440157 FLNWPSCFNUOIOA-UHFFFAOYSA-N 361.203 2.777 30 40 FFEB Cc1ccc(C[C@H](C#N)Sc2nnc(SCC(N)=O)s2)cc1 24842549 MFZBGXQEYGSSKT-LLVKDONJSA-N 350.494 2.651 30 40 FFEB Cc1cc(O)c(CN2CCN(C)CC2)c2c1C(=O)/C(=C/c1ccco1)O2 20573418 PIQMOURCPMZSBS-BOPFTXTBSA-N 354.406 2.657 30 40 FFEB Cc1ccc(Oc2ccc(Oc3c(C#N)c(=O)n(C)c(=O)n3C)cc2)cc1 22535240 JYDAFHJFOBFCSD-UHFFFAOYSA-N 363.373 2.849 30 40 FFEB CCCCN1C(=O)[C@@](NC(=O)CC(C)C)(C(F)(F)F)C(C(C)=O)=C1C 12419950 DIXARNUDINBGAY-MRXNPFEDSA-N 362.392 2.955 30 40 FFEB Cc1ccc(C)c(N2/C(=N\C(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 101313042 NFLNFSLHTLPIAC-UICBKRPASA-N 366.508 2.561 30 40 FFEB C[C@H]1CCCC[C@H]1NC(=O)CN1C(=O)CS/C1=C\C(=O)C(C)(C)C 28915614 JCIRXHGMDKZXCS-PPCKYFQJSA-N 352.500 2.713 30 40 FFEB C=CCn1c(SCc2ccc(C)cc2)nnc1[C@H]1CCS(=O)(=O)C1 14014404 RGVPTHYFDRGPIM-HNNXBMFYSA-N 363.508 2.967 30 40 FFEB N#Cc1cccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 7309521 ASDIFBRYBSCYFO-KRWDZBQOSA-N 370.430 2.855 30 40 FFEB N#Cc1cccc(C(=O)N2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)c1 98211693 KATBZAIAXOKOJD-UHFFFAOYSA-N 357.417 2.911 30 40 FFEB N#Cc1cccnc1N1CCC[C@@H](COc2ncc(Br)cn2)C1 1775996086 ULVOGLFAVOQEHX-GFCCVEGCSA-N 374.242 2.801 30 40 FFEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)o1 5884945 CYOHSRXHQOFAJA-GROYHEBESA-N 354.406 2.571 30 40 FFEB O=C1CO[C@@H](COC(=O)c2ccccc2)C=C1OC(=O)c1ccccc1 2389950 DZROVXLEMVQGMW-MRXNPFEDSA-N 352.342 2.552 30 40 FFEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1COc2ccccc2O1 2631729 NIHIZRMQCMCPBH-MRXNPFEDSA-N 372.764 2.533 30 40 FFEB C#CCOc1ccc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1OC 409092218 TZFCHAOARDBHCQ-VBKFSLOCSA-N 354.406 2.933 30 40 FFEB CCOC(=O)C1=C(C)N[C@@H]2CC=CC(=O)[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 575083825 HCQPKYKILDUVAH-JLSDUUJJSA-N 356.378 2.633 30 40 FFEB C=CCn1c(N2CCC(C(=O)NCCOC=C)CC2)nc2ccccc21 12116505 PGZKSOKQSTTYHT-UHFFFAOYSA-N 354.454 2.715 30 40 FFEB N#Cc1ncn(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 14143026 FSLDPRCUMQXRSJ-UHFFFAOYSA-N 363.221 2.826 30 40 FFEB O=C(C[C@@H]1S/C(=N\CCc2ccccc2)NC1=O)Nc1ccc(F)cc1 2631085 IBAZALCKKGKJHA-INIZCTEOSA-N 371.437 2.985 30 40 FFEB Cc1ccc(N/C(=N/OC(=O)c2ccccc2)c2nonc2N)c(C)c1 3087840 JQNFBLGURADXRH-UHFFFAOYSA-N 351.366 2.899 30 40 FFEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)o1 5885043 CYOHSRXHQOFAJA-HVESIFNPSA-N 354.406 2.571 30 40 FFEB CCn1c(=O)/c(=C/c2cc(C)ccc2C)s/c1=C(\C#N)C(=O)C(C)(C)C 105628827 QCYBRCLBRSEISX-FNCPIBMASA-N 368.502 2.665 30 40 FFEB Cc1nnc(N[C@@H](C)c2ccc(N3CCN(C)CC3)cc2)c(C#N)c1C 57142532 NMUNEELEVLJQQU-INIZCTEOSA-N 350.470 2.890 30 40 FFEB C=CCn1c(C)cc(-c2csc(NC(=O)C3=NN(C)C(=O)CC3)n2)c1C 10256544 FFPLGJOKMOOKGH-UHFFFAOYSA-N 371.466 2.961 30 40 FFEB CS[C@@H]1C(C(=O)c2ccc(F)cc2)=C(CC(=O)O)C(=O)N1CC(C)C 62716441 LGSFBSAYBSRDMG-GOSISDBHSA-N 365.426 2.967 30 40 FFEB COc1cc(/C(O)=N/S(=O)(=O)Cc2ccccc2C#N)cc(OC)c1C 48505327 LFAAEEWEDFDCOC-UHFFFAOYSA-N 374.418 2.719 30 40 FFEB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CNCc3cccnc3)C(=O)O[C@@H]1C2 3999468 VQWYYIOVDKGSML-DOVHUEEUSA-N 356.466 2.698 30 40 FFEB biogenic CCOc1ccccc1[C@@H](CC(C)C)Nc1c(C#N)c(=O)n(C)c(=O)n1C 72307339 MZAOLECOFAJGEN-MRXNPFEDSA-N 370.453 2.554 30 40 FFEB CCNC(=S)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 409371757 HGFPLENYLQGHEQ-YBFXNURJSA-N 358.423 2.992 30 40 FFEB CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(Br)cc1 218202038 YVECZIITEUXQBV-SOUVJXGZSA-N 372.284 2.896 30 40 FFEB Cc1ccc(N2CCC[C@H](/N=C(/O)N3CCC[C@H]3c3ccncc3)C2)nn1 329578412 KNXLNQNKKXEEOL-ROUUACIJSA-N 366.469 2.900 30 40 FFEB N#CCOc1cccc(CNC(=O)NCC2(c3ccccn3)CCC2)c1 1258235075 QLOSYVWEURZPKX-UHFFFAOYSA-N 350.422 2.905 30 40 FFEB CSc1nc(C(F)F)cc(N2CCN(c3ccc(C#N)cn3)CC2)n1 568451997 CTRASNJBXTUPSD-UHFFFAOYSA-N 362.409 2.729 30 40 FFEB COc1cc(C#N)ccc1OCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 5629712 ANDWNDOUHXXSAN-UHFFFAOYSA-N 362.288 2.906 30 40 FFEB CN([C@H]1CCN(Cc2ccc(C#N)cc2)C1)S(=O)(=O)Cc1ccccc1 1888922218 VQNUZSCOMHBJLE-FQEVSTJZSA-N 369.490 2.594 30 40 FFEB C=CCOc1ccc(CN(C)C(=O)NCCNC(=O)c2ccccc2)cc1 32802985 KAVSXBSQMBPIRV-UHFFFAOYSA-N 367.449 2.823 30 40 FFEB C=CCN(Cc1cccs1)C(=O)Cn1cnc2c(C)cccc2c1=O 53282969 IYVWKFSGHNCHTI-UHFFFAOYSA-N 353.447 2.981 30 40 FFEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccccc1OCC 4944631 QRSWHTSBBLWLEI-CYBMUJFWSA-N 371.462 2.931 30 40 FFEB CCOP(=O)(OCC)/C(C#N)=N/OC(=O)c1cccc([N+](=O)[O-])c1 2266897 UQYRLYFMSIBGMT-NTCAYCPXSA-N 355.243 2.855 30 40 FFEB COc1cc(/C=C/C(=O)OCC(=O)NC2CCCCC2)ccc1OCC#N 3359929 JNWQSXVOEAXKLM-CSKARUKUSA-N 372.421 2.603 30 40 FFEB O=C(CC/C(O)=N/S(=O)(=O)c1cccnc1)c1ccc(F)cc1F 48533299 TXUQMJKHTMOLQV-UHFFFAOYSA-N 354.334 2.668 30 40 FFEB COc1cc(OC)c(OC)cc1COS(=O)(=O)c1ccc(C)cc1 3887100 RPKOQDMHKQTMRQ-UHFFFAOYSA-N 352.408 2.926 30 40 FFEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccc(F)cc1 6787078 ATTYYIZKDGMAHB-GROYHEBESA-N 372.396 2.792 30 40 FFEB C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1 408805878 LZACNKXOFHRCAE-QGOAFFKASA-N 374.396 2.982 30 40 FFEB Cc1ccc(/C=N\Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 408734431 YDBUSXLRZQHGHC-ZHZULCJRSA-N 351.458 2.826 30 40 FFEB N#Cc1cc(N)c(N2CCN(c3ccc(F)cc3)CC2)n1C[C@H]1CCCO1 225870840 ALBOYYCLZPEDNQ-GOSISDBHSA-N 369.444 2.587 30 40 FFEB COc1cc(/C=N/NS(=O)(=O)c2ccccc2)cc(Cl)c1OC 3575001 CGKNQAXUHVUPAR-LICLKQGHSA-N 354.815 2.670 30 40 FFEB CSc1ncc(C#N)c(N2CCC[C@@H](COc3cc(C#N)ccn3)C2)n1 1889111315 FQGYLACAYLYLAV-CQSZACIVSA-N 366.450 2.632 30 40 FFEB Cc1nn(-c2ccccc2)c(Cn2nc(-c3cccs3)oc2=O)c1C#N 23199976 DBNZJWQWHLJLMA-UHFFFAOYSA-N 363.402 2.979 30 40 FFEB COc1ccc(NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)c(OC)c1 4119715 HEDCKVHGLWCPRY-BUUCAEBMSA-N 372.343 2.752 30 40 FFEB CCNC(=S)N/N=C/c1cc(Br)c(OC)c(OCC)c1 7008387 RRDPUKSDJPODIA-LZYBPNLTSA-N 360.277 2.674 30 40 FFEB COc1ccc(/C(O)=N/S(=O)(=O)Cc2ccc(F)cc2)c(OC)c1 48567301 QSWQLDMHZYIMLI-UHFFFAOYSA-N 353.371 2.678 30 40 FFEB C#CCN(Cc1ccco1)C(=O)NCCc1cc(F)cc2c1OCOC2 63402550 WJSIZFKRWFDHMH-UHFFFAOYSA-N 358.369 2.673 30 40 FFEB CCc1ccccc1N=C[C@H]1C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 408538046 YQCBPFVULSWDDK-INIZCTEOSA-N 365.389 2.859 30 40 FFEB COc1cc(C#N)ccc1OCC(=O)Nc1ccc2c(c1)OCCCO2 9437825 LIRAIJRWCZGDFN-UHFFFAOYSA-N 354.362 2.746 30 40 FFEB O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccccc1)c1ccc(Cl)cc1 4813407 MBOWQZBIHFJCBG-INIZCTEOSA-N 357.793 2.911 30 40 FFEB C=CCn1c(C)nnc1SCC(=O)NC(=O)Nc1ccc(C)c(C)c1 8356775 ORXINWFQVUZUCF-UHFFFAOYSA-N 359.455 2.830 30 40 FFEB CC(=O)/N=C1/NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 18255131 DDIQFFDJQSKZDF-ZSOIEALJSA-N 357.347 2.961 30 40 FFEB COc1ccc(N2CCO[C@@H]2c2cn(Cc3ccccc3C#N)nn2)cc1 216767025 RTNDDRSSYGCEHK-HXUWFJFHSA-N 361.405 2.742 30 40 FFEB N#Cc1ccc(CN2C[C@H](OCc3nc4ccncc4[nH]3)[C@H](F)C2)cc1 96112118 PNHFQKIBVPLHHQ-QAPCUYQASA-N 351.385 2.569 30 40 FFEB biogenic,in-vitro N#Cc1ccccc1Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21 14136004 DGTGWMSWLJGMDL-UHFFFAOYSA-N 373.412 2.603 30 40 FFEB COc1cc(CC/N=C/c2cccc(OC)c2O)c([N+](=O)[O-])cc1OC 17128840 MOLXFRSFKCWDRP-YBFXNURJSA-N 360.366 2.988 30 40 FFEB Cc1cc(C(=O)NCC(C)C)ccc1NCC(=O)N[C@@](C)(C#N)C(C)C 50957944 YLNPZWMYOMRJEF-FQEVSTJZSA-N 358.486 2.847 30 40 FFEB Cc1ccc(-c2n[nH]c(/N=C(\O)Cn3cnc4ccccc4c3=O)n2)cc1 28787663 WGRNZWQGNQCJJD-UHFFFAOYSA-N 360.377 2.778 30 40 FFEB C=CCn1c(N)c(C(=O)NCCCOC(C)C)c2nc3ccccc3nc21 2440149 HPBMOJGPCSACED-UHFFFAOYSA-N 367.453 2.898 30 40 FFEB N#Cc1cccnc1NCCNS(=O)(=O)c1cccc(Cl)c1Cl 47280685 ANZRILXAXHTFPX-UHFFFAOYSA-N 371.249 2.650 30 40 FFEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccnn3C)c2C#N)C1 4646660 WPAWIFPPAYJRLW-SECBINFHSA-N 359.480 2.605 30 40 FFEB COc1cc2c(cc1OC)CN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2 7984671 NWOKFBFJDAABBW-VBKZILBWSA-N 359.470 2.505 30 40 FFEB COc1cc(C=Nn2c(O)nc3ccccc3c2=O)ccc1OC(C)C 409350383 SSLGUDCVSDMGHR-UHFFFAOYSA-N 353.378 2.780 30 40 FFEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(C)C 32639383 AVKIGGRLQQATAR-YTRIFDNDSA-N 366.508 2.821 30 40 FFEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)cc1 32504492 UNEGKNLCVJCBKL-WPIBOPBSSA-N 366.508 2.787 30 40 FFEB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2cccc(C#N)c2)c(C)c1 226037577 NVWWPUPTUULPFE-UHFFFAOYSA-N 371.462 2.743 30 40 FFEB Cc1nc(S)sc1CC(=O)NCCNc1cccc(F)c1C#N 56782642 WVCYOJDVCUOVEU-UHFFFAOYSA-N 350.444 2.522 30 40 FFEB CC(=O)C1=C(O)C(=O)N(CCN(C(C)C)C(C)C)[C@@H]1c1ccc(O)cc1 19923231 SUXDPMDFCQHABG-GOSISDBHSA-N 360.454 2.795 30 40 FFEB COc1ccc([C@@]2(C)NC(=O)N(/N=C/c3c(F)cccc3F)C2=O)cc1 3579732 LNPKJDFVCDMIJH-VMHWHBCQSA-N 359.332 2.775 30 40 FFEB C=CCOc1ccc(C(=O)N2CC[C@@H]3CN(C(C)C)CCO[C@H]3C2)cc1 1565545303 CWBXZUWNCSEBPU-QUCCMNQESA-N 358.482 2.823 30 40 FFEB C[C@H](Oc1ccccc1)C(=O)N1CCC(Oc2ncccc2C#N)CC1 96102861 MOKDFTGLTVDGQS-HNNXBMFYSA-N 351.406 2.791 30 40 FFEB Cc1c(C#N)c(=O)ncn1CCNc1ncc(C(F)(F)F)cc1Cl 20218869 WFSGVICMJWQDDG-UHFFFAOYSA-N 357.723 2.603 30 40 FFEB CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2ccc(O)cc2)S1 409077796 GVBYFZUTXLHVNF-RAXLEYEMSA-N 361.419 2.740 30 40 FFEB COc1cc(C#N)ccc1O[C@@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 7025796 IUMVWGQUVWNCKP-LBPRGKRZSA-N 374.418 2.589 30 40 FFEB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)COc1ccc(C#N)cc1 8349470 JTMQCSSCEWWDKF-OAHLLOKOSA-N 361.405 2.737 30 40 FFEB COc1cc(/C=N\NC(=S)Nc2ccccc2)ccc1O[C@H](C)C(=O)O 409009660 BCUBYZOUCMKIJW-ZDFPAGSVSA-N 373.434 2.868 30 40 FFEB COc1cc(Cl)c(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1OC 408586112 BIXJJNKIUYTGIO-OVJVLNCUSA-N 374.824 2.888 30 40 FFEB Cc1nn(C(F)F)c(C)c1C/C(O)=N/CCc1nnc2n1CCCC2 329586164 MLDXIYSVLZCGEJ-UHFFFAOYSA-N 352.389 2.565 30 40 FFEB COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(C#N)cc3)CC2)cc1 57369674 RHPSZWXWYZVEGR-MRXNPFEDSA-N 364.449 2.716 30 40 FFEB N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1/N=C/c1ccc(-c2ccccc2)cc1 13625338 XFUBLXIBBIUHKG-SMFBLHAHSA-N 371.487 2.837 30 40 FFEB CC1=CC(=O)[C@H](C(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2C)C(=O)O1 102500220 SKUQITFVZVNEIA-SGQUHAKNSA-N 368.364 2.856 30 40 FFEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1C 101310625 QQJIOFACVSBDBZ-YTRIFDNDSA-N 366.508 2.705 30 40 FFEB COC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(OC)c(OC)c1)C2=O 2105122 HTJKFBGXIPBCRA-NVMNQCDNSA-N 370.357 2.872 30 40 FFEB biogenic N#Cc1ccc(N2CC[C@H](OC(=O)Cc3c[nH]c4ccccc34)C2=O)cc1 84590543 JKKSOXDJWZUFLT-IBGZPJMESA-N 359.385 2.931 30 40 FFEB CCOC(=O)[C@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 218370135 ICDOBAHSDXGFIS-LNLFQRSKSA-N 373.405 2.838 30 40 FFEB C=CCN1C(=O)CCC[C@@]12CCCN(S(=O)(=O)c1ccc(F)cc1)C2 96229970 XARBNWJBERAGCT-SFHVURJKSA-N 366.458 2.548 30 40 FFEB C#CCN1C(=O)[C@]2(c3ccccc31)c1[nH]c3ccccc3c1CCN2C(C)=O 13635434 RXLKZYDLWDUXRY-QHCPKHFHSA-N 369.424 2.796 30 40 FFEB C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OCC=C)cc1)CC(=O)N2 4944412 KPAFATLLTISDLW-AWEZNQCLSA-N 367.430 2.534 30 40 FFEB CC(=O)c1cccc(S(=O)(=O)/N=C(\O)[C@H](C)Oc2ccccc2C#N)c1 45098295 CLSUINFLMSBKRO-ZDUSSCGKSA-N 372.402 2.874 30 40 FFEB CCCc1ccc(S(=O)(=O)/N=C(\O)c2cccc(C(=O)OC)n2)cc1 48563568 MYJOXBMKTBPNHN-UHFFFAOYSA-N 362.407 2.514 30 40 FFEB COc1cc(OC)c(/C=N/n2c(S)nnc2-c2ccccn2)c(OC)c1 6004261 MBDVYQJNRQXFGA-VXLYETTFSA-N 371.422 2.537 30 40 FFEB COC[C@@H](NS(=O)(=O)c1cccc(C)c1C#N)c1cccc(OC)c1 585091926 KLUGTQXZEWDNHZ-QGZVFWFLSA-N 360.435 2.541 30 40 FFEB CCN(CC)S(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1 6497070 YSYJWOZCSKKWMS-INIZCTEOSA-N 357.435 2.602 30 40 FFEB N#Cc1cccnc1N1CCN(c2cc(C(F)F)nc(C3CC3)n2)CC1 1888856633 NCEFFRUYPSBSMS-UHFFFAOYSA-N 356.380 2.885 30 40 FFEB N#Cc1ccc(CC(=O)N2CCc3ncnc(-c4cccnc4)c3C2)cc1 1565556615 XFLNLEMJAYMJGB-UHFFFAOYSA-N 355.401 2.538 30 40 FFEB C=CCn1nnc(NC(=O)c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)n1 10148873 YBLFEXXTPHBCHO-UHFFFAOYSA-N 354.326 2.588 30 40 FFEB Cc1nc(O)nc(SCC(=O)Nc2ccc(F)cc2Cl)c1C#N 12813792 HAAWZOPLMJCNJV-UHFFFAOYSA-N 352.778 2.886 30 40 FFEB Cn1cnc(-c2cccc(NC(=O)NCc3cc(C#N)ccc3F)c2)n1 96013053 IHRHSZSYUBVTSD-UHFFFAOYSA-N 350.357 2.815 30 40 FFEB N#Cc1c(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)sc2c1CCC2 14500377 YPVRZIGCXZWFCB-STQMWFEESA-N 371.462 2.612 30 40 FFEB C=CCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2C)c1 408558757 SUOWKWYSYGAFAA-UHFFFAOYSA-N 360.435 2.720 30 40 FFEB CCn1c(C)cc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1C 27103423 AXAICIBXGICHTE-UHFFFAOYSA-N 350.466 2.955 30 40 FFEB COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccc(OC)c1 8743841 QOXBDTPFVFTYPS-QGZVFWFLSA-N 371.389 2.903 30 40 FFEB COC1=C[C@@H](/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)CC[C@@H]1O 72187470 HZSBKDOTUYISNN-OAJXKZLPSA-N 372.417 2.800 30 40 FFEB CS/C(N)=N/N=C\c1cc(Br)cc(Br)c1O 73173776 XQMJSDXMUFHKER-PQMHYQBVSA-N 367.066 2.929 30 40 FFEB COc1ncccc1C(=O)NCC#CCOc1cccc(C(F)(F)F)c1 85474036 RFKAXXQLZKOFMS-UHFFFAOYSA-N 364.323 2.921 30 40 FFEB CCOC(=O)CCC(=O)NCC#CCOc1cccc(C(F)(F)F)c1 85474048 NDORPZGEBWLNTA-UHFFFAOYSA-N 357.328 2.547 30 40 FFEB CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@]21C 257350118 UWMKPWKZGHRUQC-PQSBJRAQSA-N 358.478 2.831 30 40 FFEB C=CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN1C(C)=O 19696464 ZLPSFSSITSBSRG-HXUWFJFHSA-N 353.422 2.567 30 40 FFEB C=C(C)Cn1c(=O)c2c(nc3n(CCCCCC)c(C)cn23)n(C)c1=O 5076253 MMXGEZWGNDBPDS-UHFFFAOYSA-N 357.458 2.614 30 40 FFEB N#Cc1cccc(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)c1 11373285 DHJDOVQUBPCEGP-UHFFFAOYSA-N 363.826 2.519 30 40 FFEB Cc1ccc([C@H]2C3=C(Nc4[nH]c(=O)[nH]c(=O)c42)c2ccccc2C3=O)cc1 780026 DMDWLIHJUHOUNE-AWEZNQCLSA-N 357.369 2.537 30 40 FFEB COc1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2ccc(C)cc2)cc1OC 19138829 RXUVQXVLEHOKNG-QGZVFWFLSA-N 353.374 2.878 30 40 FFEB CCCCCCCCCCCC(=O)N[C@H](CCC(N)=O)C(=O)NCC 101433122 QEERFALAEHUVDI-MRXNPFEDSA-N 355.523 2.794 30 40 FFEB N#Cc1ccsc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 52034238 QCBVFCGYWHYWOW-UHFFFAOYSA-N 352.419 2.740 30 40 FFEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CC(=O)O)[C@@H]2c2ccccc2)cc1 102873948 ICWKYINAQVXVEO-GROYHEBESA-N 351.358 2.501 30 40 FFEB N#Cc1cccnc1N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 23995678 ZVNDRHFDTPLABA-UHFFFAOYSA-N 354.282 2.975 30 40 FFEB C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1Br 4065321 XEBWWAYBQBKZRC-CYBMUJFWSA-N 351.200 2.806 30 40 FFEB COC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)c([N+](=O)[O-])c1 7735074 NBGKPPGBEULJLY-NSHDSACASA-N 369.333 2.659 30 40 FFEB COc1ccc(/C=N/OCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1OC 107445667 SPACYFSIIMZRTO-YLEJWDQTSA-N 360.454 2.995 30 40 FFEB C[C@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)C(=O)Nc1sccc1C#N 12563901 YGRLLECLMLZSHJ-UWVGGRQHSA-N 356.407 2.778 30 40 FFEB Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1sc2c(c1C#N)CCCCC2 2729099 FOGRUPBLILNMKA-UHFFFAOYSA-N 359.411 2.941 30 40 FFEB C[C@@H](c1ccccc1)n1cnnc1SCC(=O)N[C@](C)(C#N)C1CC1 48355988 FMEYYWIJFJEUJH-SCLBCKFNSA-N 355.467 2.788 30 40 FFEB C=CCN(CC=C)C(=S)Nc1cc(S(=O)(=O)N(C)C)ccc1C 5559603 WPAJADFWMXLYPH-UHFFFAOYSA-N 353.513 2.616 30 40 FFEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(F)c3)[C@@]2(C#N)C(=O)O)cc1 218441283 IJMPGUAVXGJYOI-XYJFISCASA-N 359.378 2.668 30 40 FFEB CCOC(=O)/C(=C1/NC(=O)C=C(c2ccccc2)S1)[n+]1ccccc1 38191457 CKFSTTIVNQMCED-UHFFFAOYSA-O 353.423 2.567 30 40 FFEB COc1ccccc1N1CCO[C@@H]1c1cn(Cc2ccc(C#N)cc2)nn1 216763504 AUCDTOQJFNHALX-HXUWFJFHSA-N 361.405 2.742 30 40 FFEB N#Cc1ccc(OC2CCN(C(=O)Cn3ccc4ccccc43)CC2)nc1 90607610 CNNDRSSTMNBFQJ-UHFFFAOYSA-N 360.417 2.978 30 40 FFEB C=CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)SC1=S 13563502 CGAVUXHBLWXYCO-BJMVGYQFSA-N 367.364 2.596 30 40 FFEB N#Cc1cnc(N2CC(Cn3cc(Br)cn3)C2)c(Cl)c1 1888860074 YNSBWPFZHXBNGY-UHFFFAOYSA-N 352.623 2.702 30 40 FFEB C=CCOc1ccc(C(=O)N2CCC3(CC(NC(=O)N(C)C)C3)C2)cc1 2056214973 FERFPTSQPWYTGA-UHFFFAOYSA-N 357.454 2.517 30 40 FFEB N#Cc1cccnc1N1CC(n2nc(-c3ccc(Cl)cc3)ccc2=O)C1 1775974344 XZMBYWBSLIUZMJ-UHFFFAOYSA-N 363.808 2.892 30 40 FFEB COc1cc(C)c(CN(C)S(=O)(=O)c2cccc(C#N)c2)cc1OC 7668106 NFXZJMZCULNEPJ-UHFFFAOYSA-N 360.435 2.705 30 40 FFEB COc1cc2[nH]c3c(=O)n(/N=C/c4cccc(F)c4)cnc3c2cc1OC 5065856 QQJAHYJMJYWAPZ-LSFURLLWSA-N 366.352 2.916 30 40 FFEB COCc1cc(C)nc(N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)c1C#N 4797925 HWJYOGGMKLHEOR-DJKKODMXSA-N 355.354 2.771 30 40 FFEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(N2CCCC2)c(F)c1 409408808 RQLNJPKUHVQAMC-DFEHZGFQSA-N 353.397 2.567 30 40 FFEB O=C[C@@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCO2 218186881 XFKTYRPAPSMLMI-RRQGHBQHSA-N 364.806 2.824 30 40 FFEB Cc1noc([C@H]2CN(c3nc(C(F)(F)F)ccc3C#N)C[C@@H](C)O2)n1 599153532 DYIDJRROWGCTCG-LDYMZIIASA-N 353.304 2.630 30 40 FFEB N#Cc1c(NC(=O)[C@H]2CC(c3ccccc3O)=NO2)sc2c1CCC2 13123887 OIYIIBRONOKKIA-OAHLLOKOSA-N 353.403 2.946 30 40 FFEB aggregator COc1ccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)c(C)c1 20100713 XPTPPFVYOXLPRQ-UHFFFAOYSA-N 353.407 2.902 30 40 FFEB N#Cc1c(-c2ccco2)nc(SCc2ccc(C(=O)O)cc2)[nH]c1=O 31773914 XIYVSMYOKMXTNW-UHFFFAOYSA-N 353.359 2.892 30 40 FFEB C=CCOc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCC)n3C)cc1 4944506 YQZORHYLGIMDJU-CQSZACIVSA-N 371.462 2.931 30 40 FFEB CN(CCCC(=O)Nc1cccc(C#N)c1)S(=O)(=O)c1cccs1 11374063 MCLGEGINWJCXMV-UHFFFAOYSA-N 363.464 2.659 30 40 FFEB C[C@@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)Nc1ccc(N(C)C)cc1 12609609 OAMFPWANUJENEW-LLVKDONJSA-N 366.450 2.592 30 40 FFEB COc1cccc(OC)c1C(=O)OCC(=O)N(CCC#N)c1ccccc1 3316310 VUUGZWWSYGGNAB-UHFFFAOYSA-N 368.389 2.807 30 40 FFEB CCC(C)(C)C1CCC(NC(=O)Cn2nc(C)c(C)c(C#N)c2=O)CC1 7385555 LZOZVPOGMMURGT-UHFFFAOYSA-N 358.486 2.843 30 40 FFEB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1ccc(C#N)cc1 3456920 MIQLCBVDBNIAKD-UHFFFAOYSA-N 355.825 2.990 30 40 FFEB C=CCn1c(SCC(=O)NCCC)nnc1[C@H]1COc2ccccc2O1 6852644 HUKYZPRHVFIAJI-OAHLLOKOSA-N 374.466 2.595 30 40 FFEB Cc1[nH]c(=O)nc(SCC(=O)N[C@H](c2cccs2)C(C)C)c1C#N 32858424 NSXPNCDPFGOIIC-AWEZNQCLSA-N 362.480 2.617 30 40 FFEB N#Cc1ncn(CC(=O)Nc2nc(-c3cc4ccccc4o3)cs2)n1 12972208 NZOGFRWGWBBGHZ-UHFFFAOYSA-N 350.363 2.658 30 40 FFEB N#Cc1c(N2CCCC2)nn2cc(C(=O)c3cc(Cl)ccc3O)cnc12 14160692 IRLASVALLLQWLI-UHFFFAOYSA-N 367.796 2.791 30 40 FFEB O=C1Oc2ccccc2C(=O)/C1=C\NCC[C@H]1C(=O)Nc2ccc(F)cc21 1547200860 LVXMVFJXWPYKDV-JXCQQFQQSA-N 366.348 2.527 30 40 FFEB C=CCOc1ccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1 218339924 HTDFWVKVQYJESI-UHFFFAOYSA-N 360.435 2.900 30 40 FFEB C=CCNC(=O)COc1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1 13584872 WHFFFHLDFIVDCO-UHFFFAOYSA-N 374.462 2.583 30 40 FFEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1cccnc1 959814 PBTAOTCVFDCJLX-ZDUSSCGKSA-N 354.435 2.841 30 40 FFEB COc1cc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc(OC)c1OC 77024214 DOJWHYZLQYXSFN-UHFFFAOYSA-N 357.322 2.694 30 40 FFEB C[C@H](NC(=O)CSCC#N)c1cc2c(cc1Br)OCCO2 55784676 SODDNCRIKORUQJ-VIFPVBQESA-N 371.256 2.654 30 40 FFEB C=CCN(CCc1ccccc1)C(=O)NCc1cccnc1-n1cncn1 58283644 DWTFKWPXNNKYOK-UHFFFAOYSA-N 362.437 2.603 30 40 FFEB COC[C@@H]1CCCN1C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@@H]21 106588739 REILRXPTAKYZGI-YLWQIKDNSA-N 363.498 2.624 30 40 FFEB biogenic Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(C)o3)[C@H]2c2cccnc2)no1 102482118 XQQAILFBQIPCTN-IBOXJLQUSA-N 365.345 2.906 30 40 FFEB COc1cc(C)c(CN(C)C[C@@H](O)COc2ccc(C#N)cc2)cc1OC 9375938 WRWPSDZKDVPDKB-GOSISDBHSA-N 370.449 2.756 30 40 FFEB Cc1cc(C)nc(Sc2ccc(/C=N/n3cnnc3)cc2[N+](=O)[O-])n1 14137384 QVVQPBSKOGIZCV-CNHKJKLMSA-N 355.383 2.627 30 40 FFEB CC/N=C1\S[C@@H](CC(=O)Nc2ccc(OC(F)F)cc2)C(=O)N1CC 16809807 UASCXDMRKLYMSO-GQDWROFLSA-N 371.409 2.956 30 40 FFEB Cc1cc(C)c(C#N)c(SCC(=O)NC(=O)NCCc2cccs2)n1 17143804 RHSOZYAAJXORNU-UHFFFAOYSA-N 374.491 2.792 30 40 FFEB Cc1ccc(C/N=C2\NC(=O)[C@H](CC(=O)NCc3ccccc3)S2)cc1 8491887 ZUQXYYSCVLENMT-KRWDZBQOSA-N 367.474 2.789 30 40 FFEB C=C(C)CN(CC)C(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 58216100 AOFFSPCPJXMSHS-MSOLQXFVSA-N 367.449 2.685 30 40 FFEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 5516408 ULZMFLOMHBUJAE-OJVXUPTESA-N 372.899 2.742 30 40 FFEB CCc1ccc(-c2nnn(CC(=O)[C@H](C#N)c3nc(C)cs3)n2)cc1 23107004 KAQRPQZBUDYPNW-AWEZNQCLSA-N 352.423 2.544 30 40 FFEB CCOc1cccc2c1O[C@H](COS(=O)(=O)c1ccc(C)cc1)CO2 4963479 JTJVBBCZDKFBPJ-AWEZNQCLSA-N 364.419 2.939 30 40 FFEB CCOC(=O)C(=O)/C(=C/n1c(=S)[nH]c2cc(C)ccc21)C(=O)OCC 8651974 PAAFPUBFBJFOOY-LUAWRHEFSA-N 362.407 2.544 30 40 FFEB C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2ccc(F)cc2)CC1 58158075 GWSDRTJLJKHRDK-OAHLLOKOSA-N 352.413 2.847 30 40 FFEB CCOc1ccc2nc(N/C(=N\C(=O)CC)NC(=O)CC)nc(C)c2c1 2270310 DDUJOTTVTSZYAB-UHFFFAOYSA-N 357.414 2.568 30 40 FFEB C[C@H](OC(=O)c1cccc(S(=O)(=O)NCCC#N)c1)c1ccccc1 12791695 HJVNEGLQPTUIDG-AWEZNQCLSA-N 358.419 2.797 30 40 FFEB Cc1cc(=O)n(-c2ncc(C(F)(F)F)cc2Cl)c(/N=C/N(C)C)n1 4091326 RCDQAAMRXFRZGK-IFRROFPPSA-N 359.739 2.830 30 40 FFEB C[C@]1(C(=O)NC(=S)N(CCC#N)Cc2cccnc2)CC1(Cl)Cl 9373197 QSOSSPMYMQHVQZ-CQSZACIVSA-N 371.293 2.782 30 40 FFEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1C=Nc1ccccc1Cl 408536152 PZIZOBCUWVGWRH-JUFZMCDQSA-N 359.813 2.926 30 40 FFEB CCOC(=O)/C=C/c1ccc(S(=O)(=O)N(C)C2(C#N)CCCC2)cc1 95995651 XNPXTGMTBRTIPV-DHZHZOJOSA-N 362.451 2.720 30 40 FFEB CC12CN3CN(C1)CC(C)(C3)C2=N/N=C/c1ccc(Br)cc1 26896239 LWDYNOXLECVPBP-SGBSNPDMSA-N 361.287 2.839 30 40 FFEB N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)/C=C/c2ccccc2)CC1 70462159 XRSWEXCKHPBOLH-RMKNXTFCSA-N 362.389 2.828 30 40 FFEB CC1(C)CC(=O)C2=C(C1)Nc1c(C#N)cnn1[C@H]2c1ccc(O)c(O)c1 49544159 LCLWZRBVUJLKJZ-KRWDZBQOSA-N 350.378 2.824 30 40 FFEB CN(C(=O)NCc1ccc(C#N)c(F)c1)[C@H]1CCO[C@@H]1c1cccnc1 574900872 XSIGIBPOFKBWFA-ZWKOTPCHSA-N 354.385 2.764 30 40 FFEB CCOC(=O)Cc1csc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)n1 11168256 RILIHLNSMQLMQK-NSHDSACASA-N 359.407 2.526 30 40 FFEB CSc1nc(C2CC2)cc(N2CCN(c3ccc(C#N)cn3)CC2)n1 1888860429 FEIOASHSKFBWMK-UHFFFAOYSA-N 352.467 2.669 30 40 FFEB Cc1ccc(Cl)cc1N1CC(=O)C(c2nc3ccccc3c(=O)[nH]2)=C1N 939952 IDWGJQBZLGWZFD-UHFFFAOYSA-N 366.808 2.602 30 40 FFEB C=CCNC(=O)[C@@H](C)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 58264262 CZBXZYOPAOZTNI-MRXNPFEDSA-N 363.461 2.921 30 40 FFEB COc1cc(OC)c(OC)cc1/C=N/NC(=S)NCCc1ccccc1 3361472 YEVKATXFCGXLKG-FYJGNVAPSA-N 373.478 2.753 30 40 FFEB C/C(=N\Nc1nc2ccccc2nc1NN)c1cc2ccccc2oc1=O 68601396 YJAPWACTQKCWCN-BHGWPJFGSA-N 360.377 2.858 30 40 FFEB O=S(=O)(/N=C(/NCCCn1ccnc1)c1ccccc1)c1ccccc1 5588702 LYGWLFGOJFADCG-UHFFFAOYSA-N 368.462 2.699 30 40 FFEB N#Cc1cnc(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nc1N 6978207 LSZKCJFMBZHMOL-OAHLLOKOSA-N 353.451 2.776 30 40 FFEB CN(C)C(=O)CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 72041239 PHCSVRCYZSZGNI-UHFFFAOYSA-N 352.394 2.950 30 40 FFEB N#CCc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(Cl)cc2)cc1 224710298 PKOFJBYYZSBLAH-UHFFFAOYSA-N 364.810 2.686 30 40 FFEB C#CCCC1(CCC(=O)NCc2ccc(-n3nc(C)cc3C)nc2)N=N1 1615612189 CCUHTFCJPRMAKY-UHFFFAOYSA-N 350.426 2.856 30 40 FFEB C#CCN1CCC(C(=O)NCc2cccc(OCC(F)(F)F)c2)CC1 40158622 TWMPVRRTFGWFPE-UHFFFAOYSA-N 354.372 2.589 30 40 FFEB C[C@H]1CCc2c(sc(NC(=O)CSc3nnc(N)s3)c2C#N)C1 32838699 CETYTLGJVFHHFI-ZETCQYMHSA-N 365.509 2.909 30 40 FFEB C/N=c1/scc(C)n1/N=C/c1ccccc1I 103458277 IGYGKIANVBQGEX-KXRYEMJQSA-N 357.220 2.875 30 40 FFEB CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 104308285 AVCLBKRMLKWNBQ-LVHCJKAXSA-N 361.467 2.794 30 40 FFEB COc1cc(/C=C2\S/C(=N\c3ccc(C(=O)O)cc3)NC2=O)ccc1O 6490552 MPSNBSGANLFRLW-DHDCSXOGSA-N 370.386 2.991 30 40 FFEB C[C@@H]1C[C@@](O)(C#CCOc2ccc(Br)cc2)[C@H](C)CN1C 1885209 BZEJSCRBMDUORW-CPUCHLNUSA-N 352.272 2.923 30 40 FFEB N#CC1(C(=O)N[C@H]2CCc3nnc(Cc4ccccc4)n3C2)CCCCC1 95998214 CDIQSHLBEGMSRZ-KRWDZBQOSA-N 363.465 2.774 30 40 FFEB C[C@H](Sc1nc2sccc2c(=O)[nH]1)C(=O)Nc1ccccc1C#N 9456272 ZSAKTLVSEOCELV-VIFPVBQESA-N 356.432 2.976 30 40 FFEB N#CCCN(C(=O)COc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 7779687 UDUMALXMBALDCI-UHFFFAOYSA-N 363.373 2.655 30 40 FFEB C=CCN1C(=O)c2ccc(C(=O)N(C)Cc3ccccc3F)cc2C1=O 8026509 QXVMMXYJRWZVHZ-UHFFFAOYSA-N 352.365 2.880 30 40 FFEB CN(C)CCN=c1[nH]c(Cl)c(C#N)c2c1CN(Cc1ccccc1)CC2 22864358 DJMKKINNBJZVPY-UHFFFAOYSA-N 369.900 2.560 30 40 FFEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)c(F)c1 32635402 JUXDGROOCZMEKO-GGNAOWBESA-N 370.471 2.536 30 40 FFEB CCOc1ccc(CN2C(=O)/C(=N\O)c3cc([N+](=O)[O-])ccc32)cc1OC 46084753 SWHMADPPZTVNHD-ZPHPHTNESA-N 371.349 2.727 30 40 FFEB OC(COCC(F)(F)C(F)(F)F)COCC(F)(F)C(F)(F)F 103537840 XBLIEVASSCGQPI-UHFFFAOYSA-N 356.156 2.776 30 40 FFEB N#Cc1cc(N2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)ccn1 1888888099 HOQSWCAEPXMVLO-UHFFFAOYSA-N 360.396 2.876 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1ccc(F)cc1 102881763 XSIMNALKYKVQHW-UYTDBDHRSA-N 359.353 2.795 30 40 FFEB Cc1ccc(C(=O)N2CCN(C(=O)Nc3cccc(C#N)c3)CC2)cc1F 47338302 KQZUIWLUYILTQE-UHFFFAOYSA-N 366.396 2.996 30 40 FFEB COc1ccc(S(=O)(=O)N/N=C\c2c(O)ccc3ccccc23)cc1 17073580 KDAQLDLDENTJJQ-UNOMPAQXSA-N 356.403 2.866 30 40 FFEB C#CCOc1ccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1OC 409204687 IGUSQMOTGZUSDM-ATVHPVEESA-N 362.385 2.800 30 40 FFEB CCOc1cc(/C=N/NC(=S)Nc2ccc(C(=O)OC)cc2)ccc1O 1085620 LXOVUQQPSXBKMU-YBFXNURJSA-N 373.434 2.898 30 40 FFEB C=CCN1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O 2421960 CEUQVGNMZWHRAX-GZTJUZNOSA-N 367.380 2.881 30 40 FFEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1c(C)cccc1CC 16741117 ZZKLTXOGZYBTEF-LKXWOGMASA-N 366.508 2.569 30 40 FFEB CCOc1cc(C#N)ccc1OC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 42379645 JDMQBDIHUYNWIK-INIZCTEOSA-N 371.437 2.790 30 40 FFEB COc1ccc(-c2nc(-c3ccccn3)nc(N3CCOCC3)c2C#N)cc1 3041125 ITHIWIWDSGWKLW-UHFFFAOYSA-N 373.416 2.922 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)/C=C/c2ccco2)[C@H]1c1ccccc1 16741873 VZRAVMKWSLHAHQ-QZEKMECESA-N 353.374 2.904 30 40 FFEB C=CCn1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c2ccccc21 409393325 QFVGCGBKWYVHCD-SFQUDFHCSA-N 372.384 2.889 30 40 FFEB Cc1ccc(S(=O)(=O)NN=C2CCN(Cc3ccccc3)CC2)cc1 35999919 SVVGSQKKHVNDOL-UHFFFAOYSA-N 357.479 2.925 30 40 FFEB CCOC(=O)c1ccc(NC(=O)COc2ccc(C#N)cc2OC)cc1 2761746 PWCRFNDHNJSIJH-UHFFFAOYSA-N 354.362 2.761 30 40 FFEB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc(CC#N)cc3)ccc21 223846455 FJQCCEGDYFTFBD-UHFFFAOYSA-N 369.446 2.853 30 40 FFEB C=CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225033017 JOQXLVJPWLJFTP-UHFFFAOYSA-N 363.351 2.884 30 40 FFEB N#Cc1cccc(C(=O)N2CCc3ncnc(-c4ccncc4)c3CC2)c1 96255252 SXDWXIJNLGBYKL-UHFFFAOYSA-N 355.401 2.651 30 40 FFEB O=C(O)COc1ccccc1C=NN1CCN(c2ccc(Cl)cc2)CC1 254309274 QYDWXDOTHCLNMX-UHFFFAOYSA-N 373.840 2.960 30 40 FFEB C=CCn1c2cc(C)sc2c2cnn(CC(=O)N3CCCCC3)c(=O)c21 12113486 CRODMRUHTQIFCC-UHFFFAOYSA-N 370.478 2.920 30 40 FFEB N#Cc1ccc(CN[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)cc1F 500438143 QTNABIRNFXZFRG-QUCCMNQESA-N 350.397 2.687 30 40 FFEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(OC)cc1 4944612 CNXWJRPJINYAEW-ZDUSSCGKSA-N 357.435 2.541 30 40 FFEB CC(C)Cn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1ccccc1C#N 101113623 LHHMPDQOYUMZPE-HKOYGPOVSA-N 361.405 2.990 30 40 FFEB CN(CC(=O)Nc1ccccc1Cl)C(=O)COc1ccccc1C#N 3618373 HKXPXQXHZNMKHS-UHFFFAOYSA-N 357.797 2.688 30 40 FFEB CCS(=O)(=O)c1ccc(N2CCC(Nc3ncccc3C#N)CC2)cc1 63992814 XROYKZDVNIDJHF-UHFFFAOYSA-N 370.478 2.828 30 40 FFEB CCOC(=O)[C@@H]1C(=O)C=C(C)[C@@H](C(=O)OCC)[C@@H]1c1ccc(OC)cc1 4369020 AVFICRAHJIFRSB-FGTMMUONSA-N 360.406 2.666 30 40 FFEB Cc1ccc(OCCOCCOc2ccc(/C=N/NC(N)=S)cc2)cc1 6213439 FMQDQUBYOLXFCG-KGENOOAVSA-N 373.478 2.637 30 40 FFEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 104137259 RNCHUHNVDOWFHK-UYTDBDHRSA-N 368.345 2.655 30 40 FFEB O=C1CCCN1c1ccc(C/C(O)=N/c2nc(-c3ccccn3)n[nH]2)cc1 40154819 MBLGCVVWYJYSNZ-UHFFFAOYSA-N 362.393 2.824 30 40 FFEB CN(CCC(=O)Nc1sccc1C#N)C[C@H]1COc2ccccc2O1 31183528 LWYBQGPNOROVKQ-AWEZNQCLSA-N 357.435 2.720 30 40 FFEB COc1ccc(OC)c(S(=O)(=O)N/N=C(/C)c2c[nH]c3ccccc23)c1 32578361 YLOKFLJYCSAEGU-NDENLUEZSA-N 373.434 2.888 30 40 FFEB N#Cc1ccc(N2CCN(Cc3csc(-c4ccco4)n3)CC2)nc1 32771229 BNMKKDYTYFOBQC-UHFFFAOYSA-N 351.435 2.992 30 40 FFEB COC(=O)c1ccccc1S(=O)(=O)/N=C(O)/C=C/c1cccc(C#N)c1 48460477 GLLPUXXNIOFRTH-MDZDMXLPSA-N 370.386 2.703 30 40 FFEB COc1ccc(S(=O)(=O)/N=C(\O)[C@@H](C)Oc2ccccc2C#N)cc1C 66887512 IZVSNPPFHIMCSC-CYBMUJFWSA-N 374.418 2.988 30 40 FFEB Cc1nn(CC(=O)c2ccc(NC(=O)CC(C)C)cc2)c(=O)c(C#N)c1C 7384554 YDKXYKAKTBTNDH-UHFFFAOYSA-N 366.421 2.599 30 40 FFEB C=CCn1cnnc1S[C@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C 7634185 LRTGHUHFHZPLKC-GFCCVEGCSA-N 371.466 2.709 30 40 FFEB Cc1nnc(N/N=C/c2sc(Nc3ccccc3)nc2Cl)[nH]c1=O 8044977 QYXDQZMDXOZODO-FRKPEAEDSA-N 361.818 2.773 30 40 FFEB O=C(CSCc1ccccc1)NCC#CCOc1ccc2c(c1)OCO2 90730791 FCWDHNBGLYVDAE-UHFFFAOYSA-N 369.442 2.847 30 40 FFEB COC(=O)/C=C1\S/C(=N\C(=O)c2ccc(-c3ccccc3)cc2)NC1=O 12570030 NHUUVADCJDTZSS-PTNGSMBKSA-N 366.398 2.770 30 40 FFEB C=C[C@@H](CC(=O)N1CCC(c2nc(N(C)C)n[nH]2)CC1)c1ccccc1 555543153 OPNIZCFQKDOKND-HNNXBMFYSA-N 353.470 2.937 30 40 FFEB N#Cc1cccc(S(=O)(=O)Nc2cccc(N3CCCCC3=O)c2)c1 24956845 ZEUYCGYUOJKHFL-UHFFFAOYSA-N 355.419 2.876 30 40 FFEB CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\Cc3ccco3)NC2=O)cc1 21224288 IQBCHVSZAGRMJU-HNNXBMFYSA-N 371.418 2.599 30 40 FFEB CCCCCS(=O)(=O)OCCCCOS(=O)(=O)CCCCC 100315353 FFHSFMQKJSCHEP-UHFFFAOYSA-N 358.522 2.840 30 40 FFEB N#Cc1ccc(Cl)cc1NC(=O)CN1CCN(c2ccccc2)CC1 58152195 DBSZYEDBKJTHFQ-UHFFFAOYSA-N 354.841 2.972 30 40 FFEB C=CCN(CC(=O)Nc1ccccc1C)S(=O)(=O)c1ccccc1F 12617612 GAAQJUVOLAFANH-UHFFFAOYSA-N 362.426 2.950 30 40 FFEB N#CCSc1nc2ccsc2c(=O)n1Cc1ccc2c(c1)OCO2 2909044 MIPVRSFJWKUFTQ-UHFFFAOYSA-N 357.416 2.851 30 40 FFEB N#Cc1ccccc1CN1CCC(NS(=O)(=O)c2cccs2)CC1 12821893 LZUBGIFPNAXKID-UHFFFAOYSA-N 361.492 2.563 30 40 FFEB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3)cc2)cc1 14117836 OPQYMSOZPJDPQP-UHFFFAOYSA-N 371.462 2.647 30 40 FFEB CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 32506223 CKUCNCSPEPZPDZ-UICBKRPASA-N 366.508 2.724 30 40 FFEB C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1sccc1C1CC1 610704942 IWKIOAVUZTWEHW-LBPRGKRZSA-N 353.451 2.638 30 40 FFEB N#Cc1cnn2c(O)cc(CSc3ccc4c(c3)OCCCO4)nc12 42118022 PCZSTXKAXWHZCS-UHFFFAOYSA-N 354.391 2.760 30 40 FFEB C=CCN(Cc1ccccc1)C(=O)c1cccc(CN2C(=O)CNC2=O)c1 24500114 YTAXNGXUJJSISP-UHFFFAOYSA-N 363.417 2.567 30 40 FFEB C=CCN1CCO[C@H]2CN(C(=O)c3cc(OC)ccc3Cl)CC[C@H]2C1 1565550618 CPKGCQPJGICPQU-KSSFIOAISA-N 364.873 2.698 30 40 FFEB CCc1cc2c(N3CCN(c4cc(C#N)ccn4)CC3)ncnc2s1 24202561 STBSJYOMYQAOKG-UHFFFAOYSA-N 350.451 2.847 30 40 FFEB N#Cc1cccc(CS(=O)(=O)NC(=O)c2csc(-c3ccoc3)n2)c1 108625770 AODINFHEYDBQNH-UHFFFAOYSA-N 373.415 2.535 30 40 FFEB Cc1c(C#N)c(NC(=O)CN2C[C@H](C)O[C@H](C)C2)n(Cc2ccco2)c1C 12566993 SNJKMHWEPOCUNU-OKILXGFUSA-N 370.453 2.666 30 40 FFEB N#Cc1ccccc1N1CCN(C(=O)[C@H]2CCN(C3CCCCC3)C2)CC1 178179632 BNYVAINOOVCOMR-IBGZPJMESA-N 366.509 2.861 30 40 FFEB N#Cc1ccsc1NC(=O)C1CCN(C(=O)COc2ccccc2)CC1 36390690 VXZIAISLIOCLGO-UHFFFAOYSA-N 369.446 2.876 30 40 FFEB Cc1c(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c2ccccc2n1C 100982601 JMKLJPSHWBKORH-IMCCJCPGSA-N 359.429 2.874 30 40 FFEB Cc1ccc(-c2csc3nc(Cn4cnc(C#N)n4)[nH]c(=O)c23)s1 14144061 DYAJNCNLBPWQRL-UHFFFAOYSA-N 354.420 2.533 30 40 FFEB COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1S/C(=N/C2CC2)NC1=O 7126690 XAKPQAHGKFLQEV-CYBMUJFWSA-N 367.858 2.736 30 40 FFEB O=C(COc1ccc(/C=N\c2ccc([N+](=O)[O-])cc2)cc1)N1CCOCC1 409240300 GJHYQDJQCHADLV-MOSHPQCFSA-N 369.377 2.583 30 40 FFEB CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccccc2OC)C1=O 409090114 LAZYPNRECKNPFA-RAXLEYEMSA-N 361.419 2.653 30 40 FFEB C=CCN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc(OC)cc1 224869138 RYIOSCDXUFLMQF-UHFFFAOYSA-N 361.419 2.863 30 40 FFEB C/C(CC(=O)Nc1ccccc1C)=N\NS(=O)(=O)c1ccc(C)cc1 5809937 WJXIJKIQGFAWPZ-HMMYKYKNSA-N 359.451 2.986 30 40 FFEB Cc1ccc(N2/C(=N/C(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1C 16741163 CJUNPTAMUJDFHU-WTIYMYMHSA-N 366.508 2.561 30 40 FFEB CS(=O)(=O)c1ccc(CC(=O)Nc2sc3c(c2C#N)CCC3)cc1 9596924 FDWZNTDUMXRDBI-UHFFFAOYSA-N 360.460 2.693 30 40 FFEB C#CCn1/c(=N/C(=O)COc2ccccc2)sc2cccc(OC)c21 100910470 FGFXNPHULKWTKS-VXPUYCOJSA-N 352.415 2.851 30 40 FFEB CCc1nc(CN2CCN(C(=O)Nc3cccc(C#N)c3)CC2)cs1 56518921 FOQNYTVNUKALEK-UHFFFAOYSA-N 355.467 2.927 30 40 FFEB CC[C@@]12OC(=N)[C@](C#N)([C@H]1C)C(C#N)(C#N)[C@H](c1ccc([N+](=O)[O-])cc1)O2 101016940 OIUQJVXWKRBEHP-TWLYDYHNSA-N 365.349 2.960 30 40 FFEB CCOC(=O)c1sc(N)c(C#N)c1CSc1nnc2ccccn12 3340702 NWDVCKWTNOTUPZ-UHFFFAOYSA-N 359.436 2.714 30 40 FFEB CCOc1ccc(C=Nn2c(O)nc3ccccc3c2=O)c(OCC)c1 409366152 ZNFYRBYLVIZALW-UHFFFAOYSA-N 353.378 2.782 30 40 FFEB C[C@@H]1CCN(C(=O)COC(=O)CNc2ccc(C#N)cc2)[C@@H]2CCCC[C@H]12 84697829 PCWGDZWRAKKZBL-ATZDWAIDSA-N 369.465 2.941 30 40 FFEB CCOc1cc(C#N)ccc1OCC(=O)c1ccc2c(c1)NC(=O)CO2 16670498 UIQMECYPLIMMTC-UHFFFAOYSA-N 352.346 2.550 30 40 FFEB C=CCSc1nnc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)s1 224548041 OQYDHXZSRASXPR-UHFFFAOYSA-N 370.481 2.575 30 40 FFEB C=CCOc1ccc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 223736928 YIPNNZFBNBYGOI-UHFFFAOYSA-N 362.407 2.980 30 40 FFEB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)C=O)cc1 225637594 NUBHEBBYQNIHIF-FHWLQOOXSA-N 355.415 2.652 30 40 FFEB CN(CN(C)/N=C/c1cccc([N+](=O)[O-])c1)/N=C/c1cccc([N+](=O)[O-])c1 5599786 DOWPVCSHTXJOQX-GDAWTGGTSA-N 370.369 2.692 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1/N=C/c1cccc(Br)c1 4305355 VOZDCUJQJWMUDR-VHRAMJRJSA-N 359.223 2.980 30 40 FFEB Cc1nc2ccccc2c(=O)n1CC1CCN(c2cccc(C#N)n2)CC1 1888879111 KFCMSDSFFDDQOT-UHFFFAOYSA-N 359.433 2.888 30 40 FFEB O=C1C(=O)N(CCCn2ccnc2)[C@H](c2ccco2)/C1=C(\O)c1ccco1 104199586 ALNPDTCANZKKBE-IBOXJLQUSA-N 367.361 2.581 30 40 FFEB CCCCN1C(=O)C[C@H](/C(O)=N/c2ncn[nH]2)[C@H]1c1ccc(OC)cc1 23140864 JWMIFMMZCYSSAP-GOEBONIOSA-N 357.414 2.791 30 40 FFEB CCN(CC)C(=O)CSc1nc2cc3c(cc2cc1C#N)OCCO3 1354925 HDJHANLLPMQKEJ-UHFFFAOYSA-N 357.435 2.838 30 40 FFEB CC(C)(C)OC(=O)C1=C(N)N(Cc2ccccc2)[C@]2(C)C=CC(=O)C=C12 1857065 GHDPQASUEGDVNY-OAQYLSRUSA-N 352.434 2.838 30 40 FFEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccco1 4427662 CABLVWBFQVGBHF-DPEHCCBOSA-N 360.435 2.715 30 40 FFEB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)C=O)cc1 218104137 NUBHEBBYQNIHIF-GBESFXJTSA-N 355.415 2.652 30 40 FFEB C[C@@H](C/N=C(/O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)S(N)(=O)=O 331237388 MVOGSWMNVHFFKK-NSHDSACASA-N 370.515 2.969 30 40 FFEB CCOC[C@]1(C#N)[C@@H](c2ccc(Br)cc2)[C@H]1S(C)(=O)=O 252514332 CKGXFOMIYWVMJF-BFHYXJOUSA-N 358.257 2.506 30 40 FFEB O=C1Nc2cc(N3CCCC3)ccc2/C1=N\Nc1ccc(C(=O)O)cc1 43903313 UMXDXNYFTYFELU-UHFFFAOYSA-N 350.378 2.753 30 40 FFEB Cc1c(C#N)c(SCC(=O)Nc2sccc2C(N)=O)nc2c1CCC2 22121686 TWSXDVCEZZFHFX-UHFFFAOYSA-N 372.475 2.642 30 40 FFEB O=C(CSC/C(O)=N/c1ncn[nH]1)Nc1cccc(Br)c1 53799804 UUUZDJNJXADGGO-UHFFFAOYSA-N 370.232 2.527 30 40 FFEB C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(CCc2ccccc2)CC1 22933678 ZDOUHCGWTAFKOE-SFHVURJKSA-N 362.477 2.746 30 40 FFEB O=S(=O)(/N=C(\O)Cc1ccc(F)cc1)c1ccc2c(c1)OCCCO2 42338974 DBNSLIDFSXUIAK-UHFFFAOYSA-N 365.382 2.875 30 40 FFEB C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C(=O)c2ccccc2C1=O 3221365 XBLSZKLRRVILRA-JTQLQIEISA-N 365.414 2.732 30 40 FFEB CN1CCN(CC(=O)NCc2ccc(C#N)cc2)c2ccc(Cl)cc21 599693136 WPKKMSPIYZYJLM-UHFFFAOYSA-N 354.841 2.784 30 40 FFEB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC#N)cc3)C2=O)cc1 5745845 XBGRUKWSHLFZMH-SFQUDFHCSA-N 361.357 2.564 30 40 FFEB C#CCNC(=O)c1ccccc1NC(=O)COc1ccc(C(=O)CC)cc1 40146302 NZVAHHQFPYTMLW-UHFFFAOYSA-N 364.401 2.660 30 40 FFEB COc1cccc([C@@H]2C3=C(CCCC3=O)Nc3c(C#N)cnn32)c1OC 40288515 HSYNTKUPXGEALI-QGZVFWFLSA-N 350.378 2.794 30 40 FFEB N#CCc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1 52537560 PIUZPHQJLQDMJJ-UHFFFAOYSA-N 352.413 2.652 30 40 FFEB N#Cc1ccccc1NC(=O)CSc1nc(=O)cc(O)n1C1CCCC1 102796608 COHJCOOBLFLCAW-UHFFFAOYSA-N 370.434 2.666 30 40 FFEB O=C1CNC(=O)c2cc(/N=C\c3cc(Br)ccc3O)ccc2N1 104213872 DULGNKARXGBTNR-WSVATBPTSA-N 374.194 2.587 30 40 FFEB C[C@H](C(=O)N(C)C1(C#N)CCCCC1)N1CCN(c2ccccc2)CC1 57352463 PUWIHAOZAUDICS-GOSISDBHSA-N 354.498 2.882 30 40 FFEB CCOCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 100583995 DAHJLJDIQUXYSV-QKLQHJQFSA-N 356.527 2.874 30 40 FFEB CCC(=O)C1=C(c2ccc(OC)cc2)N(C(=O)CC)n2cnnc2S1 4518275 CFSMJRZJSIZYQU-UHFFFAOYSA-N 358.423 2.615 30 40 FFEB COc1ccc(/C=C2\SC(N/N=C/c3ccccc3O)=NC2=O)cc1 5558623 VVBRNCOBMAIGNK-WJEOPBEZSA-N 353.403 2.995 30 40 FFEB N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccccc2F)CC1 6719911 LKYMDPUTYODIMR-UHFFFAOYSA-N 366.352 2.908 30 40 FFEB CSc1cccc(N(C(=O)c2cnn(C)c2C#N)C2CCN(C)CC2)c1 522053390 QOMKKCUIOKGLSN-UHFFFAOYSA-N 369.494 2.755 30 40 FFEB CN(C(=O)/C=C/c1ccc(I)o1)C1(C#N)CCC1 49314252 XQSOJNJWROKHGN-GQCTYLIASA-N 356.163 2.802 30 40 FFEB CN(/N=C/c1ccc(O)c(/C=N/N(C)c2ccccn2)n1)c1ccccn1 5549729 AOMWJYYZXINVIA-MSKUYSOUSA-N 361.409 2.518 30 40 FFEB N#C/C(=N\Nc1ccc(S(=O)(=O)O)cc1)c1nc2ccccc2s1 4281104 MMJPRTHFLGOVBZ-CPNJWEJPSA-N 358.404 2.883 30 40 FFEB CC/C(=N\NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(O)cc1 102399455 BSYQBYFRDJIZDX-BMRADRMJSA-N 363.395 2.701 30 40 FFEB CCn1c(S)nc2cc(C(=O)NCc3ccc(C#N)cc3)ccc2c1=O 103064477 SVORZKFCNTYKAL-UHFFFAOYSA-N 364.430 2.507 30 40 FFEB C[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 104813030 QVCWJNCHLIPKAB-KGLIPLIRSA-N 369.425 2.826 30 40 FFEB C[C@@H](Oc1ccccc1C#N)C(=O)NCC(C)(C)NC(=O)OC(C)(C)C 72305459 RPDQAYCDGYEHLR-CYBMUJFWSA-N 361.442 2.745 30 40 FFEB N#Cc1cccc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)c1 12543480 ULZYJBKRZPDSOA-UHFFFAOYSA-N 354.841 2.972 30 40 FFEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1c(C)cc(C)cc1C 5377842 IQPSRUQXEKMBSI-YQTDRKPDSA-N 366.508 2.623 30 40 FFEB N#Cc1cccc(NC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)c1 7265500 QXHYHOWVELUKQY-UHFFFAOYSA-N 355.438 2.696 30 40 FFEB N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)CC2)nc1 171742612 CQHGROSTFCOIAM-JKSUJKDBSA-N 368.387 2.684 30 40 FFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)[C@@]2(C#N)C(=O)O)cc1 218436702 FSORBNMCXYQMGS-LZLYRXPVSA-N 359.378 2.668 30 40 FFEB C=CCOc1cccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 13688900 ZFBQGGPOORTKFN-CALCHBBNSA-N 354.406 2.531 30 40 FFEB COc1ccccc1/N=N/c1c(N)nn2c(SC)c(C#N)c(N)nc12 6182583 GGTVDIIHMZNGRJ-QZQOTICOSA-N 354.399 2.911 30 40 FFEB CN(C)C[C@H](CNC(=O)Nc1ccc(C#N)cc1)[C@@H](O)c1ccccc1 40088344 AFULFGCSWGBZJM-HKUYNNGSSA-N 352.438 2.591 30 40 FFEB O=C1N[C@@H](c2ccc([N+](=O)[O-])cc2)/C(=C(\O)c2ccc(Cl)cc2)C1=O 102801894 SGGOCXDSLPJAMS-MRPLLJTBSA-N 358.737 2.958 30 40 FFEB CN(Cc1cccc(C#N)c1)C(=O)c1cc(S(C)(=O)=O)ccc1Cl 25293859 DHNDDAYYZCNUOK-UHFFFAOYSA-N 362.838 2.887 30 40 FFEB Cc1ccc(O)c(C(=O)c2cnn(C(=O)COc3ccccc3C#N)c2)c1 2652835 XSZQROXKEHVYJQ-UHFFFAOYSA-N 361.357 2.719 30 40 FFEB COc1ccc(/N=C2\S[C@H](C(N)=O)CC(=O)N2Cc2ccccc2)cc1 13424331 SHEQBWWVSOYZFN-XOMICKMZSA-N 369.446 2.702 30 40 FFEB N#Cc1ccc(NC(=O)COCC(=O)N[C@@H]2CCCc3ccccc32)cc1 4682622 ILRYXPALJSCLSG-LJQANCHMSA-N 363.417 2.707 30 40 FFEB COc1ccccc1CNC(=O)[C@H](C)O/N=C/c1ccc(OC)c(OC)c1 15392107 ZWUVSRLXAOHFJV-OFJBCHTGSA-N 372.421 2.768 30 40 FFEB C[C@]12CCC(=O)C[C@H]1C[C@@H](N1CCC[C@@H](N)C1)[C@@H]2Oc1ccc(C#N)cc1 1772572890 ZHIVJKLMVJUNNQ-HFQQBTNDSA-N 367.493 2.877 30 40 FFEB CC1=NN(C(N)=S)C(=O)/C1=N\Nc1cc(C(F)(F)F)ccc1Cl 13110660 QNEKLMVLOPVNKQ-OCKHKDLRSA-N 363.752 2.588 30 40 FFEB C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@H]3[C@](C)(C(=O)C=C[C@@]3(C)CO)[C@H]1C2 514288139 QRLARCRZOSOGMO-NLSZVMIXSA-N 360.450 2.925 30 40 FFEB biogenic,in-vitro C=CCn1cc(CNC(=O)N2CCn3c(cc4c(Cl)cccc43)C2)nn1 573240625 JZDIQBCSRACUOW-UHFFFAOYSA-N 370.844 2.798 30 40 FFEB N#CCNC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 2298032 UOROIWJMLWQMTD-UHFFFAOYSA-N 351.313 2.730 30 40 FFEB N#Cc1ccccc1OC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 6303594 VMOFPHIKIRMVQP-UHFFFAOYSA-N 356.403 2.562 30 40 FFEB N#Cc1cccc(Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)c1 67260780 DBNGAXIJPAFGNY-UHFFFAOYSA-N 370.368 2.812 30 40 FFEB N#CCCN(CCC#N)C(=O)c1cccc(I)c1 8378294 FPXQFLDLGOTPMW-UHFFFAOYSA-N 353.163 2.561 30 40 FFEB CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cnn(C)c1 17073838 XAFGOMCUDNTVHL-UHFFFAOYSA-N 357.483 2.693 30 40 FFEB CCOC(=O)c1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)cc1 18195662 BWBRWFMEOQBREX-AWEZNQCLSA-N 353.378 2.857 30 40 FFEB C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1cnn(C)c1 95953625 PGOANZIFTAJFOW-AWEZNQCLSA-N 357.483 2.885 30 40 FFEB C=CCN1CCC2(CC1)C[C@@H](NC(=O)c1ccnnc1)c1ccccc1O2 96242782 SSKHZVBXDZQZTF-GOSISDBHSA-N 364.449 2.751 30 40 FFEB N#Cc1ccc(OCCNC(=O)N2CCC[C@H]([C@H]3CCCCO3)C2)cc1 595526122 JULFNHSAAWKFJN-PKOBYXMFSA-N 357.454 2.928 30 40 FFEB N#C[C@H](C1=NS(=O)(=O)c2ccccc21)c1nc2cc([N+](=O)[O-])ccc2o1 6864674 XVRKSBDYXQDMBH-LLVKDONJSA-N 368.330 2.535 30 40 FFEB Cc1ccc(S(=O)(=O)N/N=C\c2c[nH]nc2-c2ccc(F)cc2)cc1 32575708 NAQIDCRTUHOJDW-JAIQZWGSSA-N 358.398 2.837 30 40 FFEB C#CCOc1ccc([C@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)cc1OC 6678819 JHTIURZMAFDTSM-BDJLRTHQSA-N 357.435 2.902 30 40 FFEB N#Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 3609087 RNHUVQUMWVUJHL-UHFFFAOYSA-N 369.446 2.985 30 40 FFEB CCOc1cc(/C=N/NCc2ccccc2OC)ccc1OCC(=O)O 20763147 HCBCNSXKKYCXKF-RGVLZGJSSA-N 358.394 2.681 30 40 FFEB Cc1cc(C)n(-c2ccc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nn2)n1 8754484 CPCPZRREWIBJGS-KDOFPFPSSA-N 372.498 2.814 30 40 FFEB O=S(=O)(/N=C(\O)CCc1cccs1)c1ccc2c(c1)OCCO2 84442212 MCFGVFDBQIBAAW-UHFFFAOYSA-N 353.421 2.797 30 40 FFEB CCCC[C@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(=O)O 98001347 SYCCWKIXSQFYSK-YFKPBYRVSA-N 359.213 2.917 30 40 FFEB N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3cnc4c(c3)CCCC4)C2)nc1 563787614 NWRFLLAZURZPQN-QGZVFWFLSA-N 363.421 2.912 30 40 FFEB COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 5961499 OYDWLBSXHHTCIA-LJZVVVFJSA-N 368.341 2.972 30 40 FFEB biogenic C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 23437173 PHGAYRKDDFNBPE-KRWDZBQOSA-N 374.444 2.542 30 40 FFEB CCOC(=O)c1cc(C#N)c(N2CCN(C)CC2)nc1-c1ccccc1 1404274 NGXDEHLJEPUDCL-UHFFFAOYSA-N 350.422 2.549 30 40 FFEB C#CCOc1cccc(CN2C[C@@H]3CCC[C@@H](C2)C3N2CCOCC2)c1 100769021 CZLIPYPWHAEPOG-PMACEKPBSA-N 354.494 2.631 30 40 FFEB CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 118933639 UJCIAYKVFFBSLE-QKSWPAOXSA-N 364.457 2.757 30 40 FFEB Cc1nn(Cc2csc(COc3ccc(F)cc3)n2)c(=O)c(C#N)c1C 12777866 GBXQSZCKLZNVEY-UHFFFAOYSA-N 370.409 2.955 30 40 FFEB C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(N)=O 3490988 OUUXXGFXNBCXBF-JTQLQIEISA-N 352.847 2.662 30 40 FFEB CCCS(=O)(=O)c1ccccc1/C(O)=N/S(=O)(=O)c1cccs1 48449614 ZXFAIOWMXRFXRY-UHFFFAOYSA-N 373.477 2.625 30 40 FFEB N#C[C@@H](c1ccccc1)N1CCN(C(=O)COc2ccc(F)cc2)CC1 14157644 HCXAPWVZGRTZTO-IBGZPJMESA-N 353.397 2.614 30 40 FFEB C/C(=N\c1cc(C)nn1Cc1ccc(C)cc1)c1c(O)[nH]c(=O)sc1=O 95101227 WPHXAPFAMFHGHO-XDHOZWIPSA-N 370.434 2.505 30 40 FFEB O=C1N/C(=N\c2cccc(O)c2)S/C1=C/c1cc([N+](=O)[O-])ccc1O 12032385 CCOIXIFSGJDXBZ-VGOFMYFVSA-N 357.347 2.898 30 40 FFEB N#Cc1cnn(-c2ccccc2NS(=O)(=O)c2ccccc2Cl)c1N 24578491 AJIYDLCDVRFYRV-UHFFFAOYSA-N 373.825 2.780 30 40 FFEB CCOC(=O)C1=C(Nc2ccccc2)O/C(=C\c2c(C)n[nH]c2C)C1=O 40114091 KQFVCZCYRGHFEE-GDNBJRDFSA-N 353.378 2.854 30 40 FFEB N#C[C@H](C(=O)c1ccc(COc2ccc(F)cc2)o1)C(=O)N1CCCC1 103502715 NRNVFYFFKYMIBW-MRXNPFEDSA-N 356.353 2.943 30 40 FFEB COC(=O)C[C@@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccccc1 12875951 GOQCAEBNTIRUMB-KBXCAEBGSA-N 352.390 2.746 30 40 FFEB N#CCC(=O)Nc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 7954650 HXAPZULWBKRSJC-UHFFFAOYSA-N 366.396 2.640 30 40 FFEB C=C1[C@H]2CC[C@]3([C@H]1O)[C@H]1C[C@H]4[C@@]5(CCC[C@@]4(C)CN(CCO)[C@@H]5O1)[C@@H]3C2 35391948 RLXRCZIALRMBJR-PGHAXGSJSA-N 359.510 2.549 30 40 FFEB biogenic,in-vitro Cc1c(CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)cccc1[N+](=O)[O-] 40116382 MCYWCNVHPOOCHI-LJQANCHMSA-N 364.361 2.742 30 40 FFEB CC(=O)NC(C)(C)/C(N)=N/OCc1cc(-c2ccc(Cl)cc2)no1 78670459 RRKOAZNYVVWIFU-UHFFFAOYSA-N 350.806 2.699 30 40 FFEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1 102494121 JOSBVQBWPCMIGR-SELCWUDQSA-N 350.418 2.670 30 40 FFEB C#CCOc1cc(Br)c(CN[C@@H](CC)CO)cc1OCC 4670865 YYKFSMGTYODDCK-ZDUSSCGKSA-N 356.260 2.720 30 40 FFEB COCc1nc(/C(O)=N/S(=O)(=O)C2=Cc3ccccc3CC2)cs1 58043284 USYBVJJHNBDTPK-UHFFFAOYSA-N 364.448 2.911 30 40 FFEB N#Cc1ccc(N2CC[C@H](N3CCO[C@H](c4ccc(F)cc4)C3)C2=O)cc1 46864151 YLOSCGVJNURRFI-PMACEKPBSA-N 365.408 2.876 30 40 FFEB CCN(CC)C1=C(C(=O)c2ccccc2)NS(=O)(=O)c2ccccc21 4812363 OBKSXZCPNZROAN-UHFFFAOYSA-N 356.447 2.872 30 40 FFEB C/N=C1/S/C(=C/c2cc(OC)c(OC)cc2Br)C(=O)N1C 408929776 NZUBAJLHWGSAHR-VQGSKFNHSA-N 371.256 2.998 30 40 FFEB C#CC(CC)(CC)NC(=O)CCc1c(C)nc2nc(SC)nn2c1C 8919358 CXHSVFCCVFTHOC-UHFFFAOYSA-N 359.499 2.704 30 40 FFEB C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 83888639 JWYYISUHQNANQH-GOEBONIOSA-N 365.437 2.658 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccccc2)cc1OC 5408723 ADWUYKVYPVYGOD-QGZVFWFLSA-N 353.374 2.912 30 40 FFEB Cc1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c(C#N)c1C 52088530 UFPDUTGCNMNTQC-UHFFFAOYSA-N 373.819 2.720 30 40 FFEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)[C@@H]1c1ccccc1 102494890 VBBQJQSFLHGPNM-GHNGSUTGSA-N 368.408 2.809 30 40 FFEB N#Cc1cc(F)ccc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 78254824 QEIQCBFFFNYLAR-HXUWFJFHSA-N 364.424 2.625 30 40 FFEB COC(=O)c1cccc(S(=O)(=O)/N=C(O)/C=C/c2ccccc2C#N)c1 58188401 WHNIJBXRVKROJD-MDZDMXLPSA-N 370.386 2.703 30 40 FFEB CCOc1ccc(S(=O)(=O)N/N=C/c2cccc(OCC)c2O)cc1 2654262 MRTDAHNHYRCCJY-LDADJPATSA-N 364.423 2.502 30 40 FFEB COc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)NC2=O)cc1 13893827 NYYRGTLYEPFZPJ-OAHLLOKOSA-N 355.419 2.943 30 40 FFEB CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)ccc1OC 408729253 YQNUEENICSVLQD-YUUNAMAGSA-N 366.417 2.625 30 40 FFEB N#Cc1cnc(SCC(=O)Nc2ccc(Cl)cc2Cl)nc1N 4935413 GVXHBUKOGUWDCG-UHFFFAOYSA-N 354.222 2.968 30 40 FFEB Cc1nn(CC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c(=O)c(C#N)c1C 7384839 HAVZVZBOLXOEGL-UHFFFAOYSA-N 366.421 2.599 30 40 FFEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@@H]1/C=N\[C@@H]1C[C@H]2CC[C@H]1C2 408532510 IHCSIUBWGFVWBJ-GCSRZEOCSA-N 359.813 2.798 30 40 FFEB CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CCC2)cc1 40134671 WOEWADTZTWXHJV-UXPDKRSESA-N 361.467 2.794 30 40 FFEB CCCCn1c(C#N)cc(N)c1N1CCN(c2ccc3c(c2)OCO3)CC1 225871254 FQTDFZCXFBYRKT-UHFFFAOYSA-N 367.453 2.797 30 40 FFEB Cc1cc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc2n[nH]cc12 577820003 KILVPJCZFZOGEG-HNNXBMFYSA-N 362.393 2.823 30 40 FFEB N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1 1776000989 SPVHRJDUCGWQFU-QGZVFWFLSA-N 353.397 2.952 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1cccc(Br)c1)C31CC1 1058628 DFIHFGBEVIWCDN-MMNWFBIOSA-N 371.234 2.980 30 40 FFEB CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(F)c(Br)c2)C(=O)O1 22344501 AQWWBRBVGFZMMC-KQIUPUNMSA-N 353.143 2.816 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 6295784 QMVZQXDSQBCKAI-OAHLLOKOSA-N 363.417 2.594 30 40 FFEB CSc1nc(N)nc(SCC(=O)N[C@@H](C)c2ccccc2)c1C#N 1773267 KYALAVJYXRSEQX-JTQLQIEISA-N 359.480 2.622 30 40 FFEB C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 8810787 GAQKMHCEKMBQLE-UHFFFAOYSA-N 352.362 2.681 30 40 FFEB N#Cc1cc([N+](=O)[O-])cn(Cc2ccc(F)cc2Br)c1=O 10909122 LXDZTWICODINCO-UHFFFAOYSA-N 352.119 2.578 30 40 FFEB Cc1c(C#N)c(NC(=O)CN(C)Cc2ccco2)n(C[C@H]2CCCO2)c1C 12601221 IXHTXLRBNUREQF-QGZVFWFLSA-N 370.453 2.819 30 40 FFEB COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H](C)CC#N 62580470 DHSGSNJQUBAMIW-ZETCQYMHSA-N 367.652 2.692 30 40 FFEB Cc1ccc(/C=N/N2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)o1 3579822 LMNUYEWUGRNQAQ-WZIKDTQPSA-N 363.320 2.991 30 40 FFEB COc1ccc2[nH]/c(=N\N=C3/C(=O)N=C(C)N3c3ccccc3)sc2c1 4498454 JKGVPVYEJCEMLS-LTGZKZEYSA-N 365.418 2.917 30 40 FFEB C=CCN/C(=N/C#N)SCC(=O)Nc1ccc(OC(F)(F)F)cc1 4655501 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FREHXPGHMPXHEJ-YRNVUSSQSA-N 367.199 2.632 30 40 FFEB CN(C)c1ccc(/C=N\N=C2/NC(=O)[C@@H](Cc3ccccc3)S2)cc1 8450264 JNOSHHQFNJELSS-VJOZSWGJSA-N 352.463 2.917 30 40 FFEB N#Cc1cc(F)cc(C(=O)N2CCO[C@]3(CCCC[C@@H]3N3CCCC3)C2)c1 306141866 WIQXGDOQVJCVFJ-PZJWPPBQSA-N 371.456 2.947 30 40 FFEB C[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1cncnc1 574744719 JQDGMOKOKNSOPN-CYBMUJFWSA-N 354.385 2.661 30 40 FFEB CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2C#N)CC1 89212820 NVSHISLFEZMWSB-UHFFFAOYSA-N 350.440 2.731 30 40 FFEB CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224806253 WJWYNXORCHLKTH-UHFFFAOYSA-N 360.435 2.985 30 40 FFEB CCCCCCCCn1c(C)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12 96019431 LJNKDCDJBKPWGQ-UHFFFAOYSA-N 359.474 2.664 30 40 FFEB COc1ccc(C(=O)/N=C(\S)Nn2c(C)nnc2SC)cc1Cl 33762947 GZVRYTZTCXPWIZ-UHFFFAOYSA-N 371.875 2.640 30 40 FFEB COC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 218093304 LHANWPREMRHUET-GBESFXJTSA-N 357.431 2.791 30 40 FFEB C=C[C@H](CC)CC(=O)N1CCOC[C@H]1CNC(=O)C(C)(C)c1ccccc1 1775990278 FJLZNMCGXLQPAA-IEBWSBKVSA-N 372.509 2.910 30 40 FFEB C=CCN(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 5934559 DPYPQEJDXYLDMT-UHFFFAOYSA-N 365.842 2.550 30 40 FFEB C=C(Cl)COC(=O)[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(C)C 22988082 FQJREPAHCAEGMF-FEAKQIBJSA-N 357.859 2.897 30 40 FFEB COc1cccc([C@H]2O[C@]3(C)OC(=N)[C@]2(C#N)C(C#N)(C#N)[C@H]3C)c1OC 100938806 HMNONSNRPYFUCY-VCWVEYATSA-N 366.377 2.678 30 40 FFEB N#Cc1ccc(N2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)nc1 48302443 SQTHIWIHYVCLLD-UHFFFAOYSA-N 372.432 2.994 30 40 FFEB COCc1cc(C)n(CC(=O)Nc2ccc(Cl)c(C)c2)c(=O)c1C#N 5001089 CUKJVLQSVOFAIP-UHFFFAOYSA-N 359.813 2.775 30 40 FFEB CN(C[C@@H]1CCCOC1)C(O)=Nc1cnn(C/C(O)=N/C2CCCC2)c1 330012873 LGWDDJVBFWNYCC-AWEZNQCLSA-N 363.462 2.686 30 40 FFEB O=C(O)C[C@@H]1S/C(=N/N=C/c2ccco2)N(c2ccc(F)cc2)C1=O 2769619 QLQPMTNUNYPAMW-BQINVYPXSA-N 361.354 2.732 30 40 FFEB CN(CC1CCN(c2nccc(C#N)n2)CC1)c1ncnc(C2CC2)c1F 1888863935 GUTZCWLBIUGDKD-UHFFFAOYSA-N 367.432 2.508 30 40 FFEB N#Cc1ccc(N2C[C@@H]3[C@H](CCN3C(=O)c3ccccc3Cl)C2)nc1 1889138998 WZJPAYLNTRQTNH-RHSMWYFYSA-N 352.825 2.958 30 40 FFEB COc1cc(C#N)ccc1OS(=O)(=O)N1CCC(C(C)(C)C)CC1 95443889 ONZVLTGUYBHSKW-UHFFFAOYSA-N 352.456 2.949 30 40 FFEB N#Cc1ccc(/C=C/C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 7988415 DIGSWGQDHDAKQE-BQYQJAHWSA-N 351.431 2.618 30 40 FFEB CCc1ccccc1N=C[C@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O 408537254 UTZRNQHYZLDHFX-QEWYBTABSA-N 353.422 2.835 30 40 FFEB CC(C)CN1CCO[C@@]2(CCCC[C@@H]2NC(=O)c2ccc(C#N)cc2)C1 306126357 DTKGWZIZGFZSKQ-FPOVZHCZSA-N 355.482 2.958 30 40 FFEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1C=Nc1ccc(Cl)cc1 408534571 MIUSMKZHKJHNON-UOVKNHIHSA-N 359.813 2.926 30 40 FFEB Cc1ccc(-n2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)n2)cc1 256046309 FEAWIHDEBNOHNH-UHFFFAOYSA-N 358.449 2.770 30 40 FFEB COc1cc(C(=O)[C@]2(C)O[C@@]2(C)C(=O)c2ccc(O)c(OC)c2)ccc1O 49181268 ZDJWTWORZULMCQ-PMACEKPBSA-N 372.373 2.728 30 40 FFEB biogenic,in-vitro N#Cc1ccc(-c2ccncc2)nc1SCC(=O)Nc1nncs1 15082494 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COc1ccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1Cl 5009262 FADISIAYCGVDKH-UHFFFAOYSA-N 354.797 2.942 30 40 FFEB CCOc1cc(/C=C/c2nc(O)c(C#N)c(COC)c2[N+](=O)[O-])ccc1O 409203143 WKYJMTKPIUVKLP-GQCTYLIASA-N 371.349 2.988 30 40 FFEB CC(C)=C1C[C@@H]2[C@](C)(O)[C@H](OC(=O)[C@]3(C)O[C@H]3C)CC[C@]2(C)CC1=O 31165557 COBSHSDADSYWJI-QVNFGNLOSA-N 350.455 2.942 30 40 FFEB biogenic,in-vitro CC(C)/C(O)=N/c1ccc2c([C@H](C(=O)O)N3CCN(C)CC3)c[nH]c2c1 36353431 YAUKWCAFVXQPRX-QGZVFWFLSA-N 358.442 2.785 30 40 FFEB CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C[C@]12O[C@@H]1[C@H](O)C(CO)=C[C@@H]2O 253388190 VBZYLQJSPMDPOO-XXWNAYEUSA-N 362.510 2.967 30 40 FFEB biogenic,in-vitro Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c1 3502842 ZAFOZSFHHKXFJF-UHFFFAOYSA-N 371.349 2.908 30 40 FFEB Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1/C=N/N=C(N)N 57816029 ITAYWDCVCVMHEJ-PTXOJBNSSA-N 359.648 2.807 30 40 FFEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)cc(C)c1 101309327 ZHRHMSXBYWSJRA-WPIBOPBSSA-N 366.508 2.705 30 40 FFEB COc1cc(/C(O)=N/S(=O)(=O)c2ccc(C#N)cc2)cc(OC)c1C 48497289 FVFSNNCHUKWBFS-UHFFFAOYSA-N 360.391 2.577 30 40 FFEB CCCCCCCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C 48520853 SWFAOHRAVRZPNH-AWEZNQCLSA-N 374.489 2.551 30 40 FFEB C=CCn1c(SCC(=O)Nc2cccnc2)nnc1-c1ccncc1 72191587 CMCWMTYMFRGXDS-UHFFFAOYSA-N 352.423 2.652 30 40 FFEB Cc1nc([C@@H]2CN(/C(O)=N/[C@H]3C[C@H](c4cccc(F)c4)C3)CCO2)no1 328601894 GHTKCGYLROXSJS-BPUTZDHNSA-N 360.389 2.751 30 40 FFEB CC(C)(C)OC(=O)N1CCC[C@H](S(=O)(=O)c2cccc(C#N)c2)C1 89212823 HTWOQLOVFJMCEU-HNNXBMFYSA-N 350.440 2.731 30 40 FFEB N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)NCc2ccc(F)cc2)CC1 253394301 GKNDVXAUGPVGMI-WKILWMFISA-N 369.400 2.677 30 40 FFEB N#Cc1ccncc1N1CCC[C@@H](COc2ncc(Br)cn2)C1 1888853050 ZHKZYZPZGSLENC-GFCCVEGCSA-N 374.242 2.801 30 40 FFEB COC(=O)c1cc(NCC(=O)NC2(C#N)CCCCC2)c(F)cc1F 45734524 LWVVCQBEFCUXRK-UHFFFAOYSA-N 351.353 2.506 30 40 FFEB CCN(CC)c1ccc(/C=N\N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 100229852 ZJFAFNLKQZZYEM-XPAQQFOOSA-N 363.461 2.920 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@@H]1c1cccnc1 6308967 RDLWCECMSSDIRI-YXBWYFRISA-N 364.401 2.706 30 40 FFEB N#CC1(NC(=O)COC(=O)CSc2ccccc2F)CCCCC1 5419027 DAECFGZRXPMENP-UHFFFAOYSA-N 350.415 2.804 30 40 FFEB CCc1ccc(-n2c(=O)c(C#N)cc3c(=O)n4cccc(C)c4nc32)cc1 6809455 YSWDWNZXQAAUBH-UHFFFAOYSA-N 356.385 2.741 30 40 FFEB N#Cc1cccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)c1 68362201 BDERKEVOFBHDSF-MRXNPFEDSA-N 355.394 2.851 30 40 FFEB COc1cccc([C@H]2C3=C(Nc4[nH]nc(O)c42)c2ccccc2C3=O)c1O 18196267 FRNNYYGNBXSYKX-ZDUSSCGKSA-N 361.357 2.995 30 40 FFEB CCOc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1OCC 409354426 FHWORPSLCRRUNO-UHFFFAOYSA-N 353.378 2.782 30 40 FFEB O=C(O)c1ccc(-n2cccc2/C=N/Nc2ncccc2[N+](=O)[O-])cc1 409103988 XVNLRJVJFDNVOX-YBFXNURJSA-N 351.322 2.925 30 40 FFEB N#Cc1ccc(CNC(=O)CSc2nncn2-c2ccccc2F)cc1 515058134 JVDVMBIWWBOZKA-UHFFFAOYSA-N 367.409 2.687 30 40 FFEB CC(C)N(C)Cc1ncn2c1CN(C(=O)c1ccc(C#N)cc1)CCC2 96259233 MHWJAGSZWNWESS-UHFFFAOYSA-N 351.454 2.641 30 40 FFEB CC1(C)OB(C2=CCN(C(=O)N[C@@H]3CCO[C@H]3C3CC3)CC2)OC1(C)C 1776007631 QJNKGNXHFSWIPO-CVEARBPZSA-N 362.279 2.527 30 40 FFEB C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1=O 5806629 IXPPQYVVUXXZBA-UHFFFAOYSA-N 371.437 2.849 30 40 FFEB CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1[C@@H](O)[C@H](F)C2 1848349790 GTHLUQQEKIJSME-DYVFJYSZSA-N 365.357 2.821 30 40 FFEB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCc2ccccc2C#N)c1 27788853 MPYYGNCYJJMUFF-UHFFFAOYSA-N 351.362 2.832 30 40 FFEB C=CCc1cc(C(=O)O[C@@H](C(N)=O)c2ccccc2)cc(OC)c1OC 10764441 HIXUIDGPDAFKBD-GOSISDBHSA-N 355.390 2.816 30 40 FFEB N#Cc1ccc(OCC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 11002172 LBKJODUYGUEVKG-QGZVFWFLSA-N 363.417 2.814 30 40 FFEB Cn1ncc(C#N)c1NC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 11226345 VKOOJBRWNQWAEQ-UHFFFAOYSA-N 368.397 2.833 30 40 FFEB COc1ccc([C@H](CC(=O)Nc2ccc(CC#N)cc2)NC(C)=O)cc1 14188753 VGTGZWJFDMRWBY-IBGZPJMESA-N 351.406 2.967 30 40 FFEB O=S(=O)(Cc1ccccc1)N/N=C/c1cc(Br)ccc1O 4705094 JJYYQEPUQAUGDM-CXUHLZMHSA-N 369.240 2.608 30 40 FFEB N#Cc1cccc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 25210828 WSJPKMDXAOSHMB-UHFFFAOYSA-N 351.381 2.732 30 40 FFEB CCc1n[nH]c(=S)n1/N=C/c1cc(Br)cc(OC)c1O 41214280 PFVBRDMZMLUXIY-MKMNVTDBSA-N 357.233 2.862 30 40 FFEB N#CCOc1ccc2ccccc2c1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409408429 QOJDDGRNHKMOSZ-HZVDNRATSA-N 371.396 2.883 30 40 FFEB CC(C)Oc1ccc(/C=N/Nc2c([N+](=O)[O-])nn(C)c(=O)c2Cl)cc1 11990458 SZCHPLKZRYIPBI-CAOOACKPSA-N 365.777 2.575 30 40 FFEB COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2Cc2cccnc2)c(OC)c1 870978 QIGXONBHYZRFFT-GOSISDBHSA-N 368.389 2.583 30 40 FFEB COC(=O)c1cc2ccccc2cc1OCC(=O)N[C@](C)(C#N)C1CC1 40159118 WPBWCGVCEHVWGX-HXUWFJFHSA-N 352.390 2.814 30 40 FFEB C=CCNC(=O)COC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 47732006 RSHDZYZPAUMVAB-UHFFFAOYSA-N 353.422 2.736 30 40 FFEB C=CCNC(=O)NC(=O)CSc1ncnc2sc3c(c12)CCCC3 3516219 PNKUOZNWDGVVBF-UHFFFAOYSA-N 362.480 2.674 30 40 FFEB O=c1c2[nH]c3ccc(F)cc3c2ncn1/N=C/c1cccc([N+](=O)[O-])c1 5164684 WTGVLYJKVOIZBX-DNTJNYDQSA-N 351.297 2.807 30 40 FFEB Cc1nc(C)c(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)o1 174427884 ZXJZGTFGLACPOT-UHFFFAOYSA-N 361.405 2.674 30 40 FFEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)O 408914384 XSYDDLJLIROQDN-ZDLGFXPLSA-N 359.338 2.903 30 40 FFEB C=CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(NC(C)=O)cc1 224894754 MEOOEXBJJIXTBJ-UHFFFAOYSA-N 374.418 2.755 30 40 FFEB C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 594335419 NLJJXUBYZBNUIU-KXBFYZLASA-N 361.445 2.938 30 40 FFEB COc1ccc(CN(C)Cc2nc3ccccc3c(=O)n2CC#N)cc1F 40012082 RRNSJEYYMWPHQR-UHFFFAOYSA-N 366.396 2.700 30 40 FFEB Cc1c([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc(C#N)n1C 32814652 GFVQCONQIFIFBM-DNVCBOLYSA-N 350.422 2.951 30 40 FFEB C[C@@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)N(C)CCC#N)o1 22471426 DLGNDUBXQCWNLL-LLVKDONJSA-N 364.402 2.813 30 40 FFEB Cc1ccc(S(=O)(=O)NNC2=CC(=O)C[C@@H](c3ccccc3)C2)cc1 849588 FIZKTZWMHQASSG-INIZCTEOSA-N 356.447 2.809 30 40 FFEB C[C@H]1CN(C(=O)c2ccc(CNc3ccc(C#N)cn3)cc2)C[C@@H](C)O1 58180359 WHQSCLBCOPHABT-GASCZTMLSA-N 350.422 2.815 30 40 FFEB Cc1ccc2[nH]c3c(=O)n(/N=C/c4ccc(N(C)C)cc4)c(O)nc3c2c1 2296103 FZHGVBXPZXROKU-SRZZPIQSSA-N 361.405 2.840 30 40 FFEB COc1ccc(NC(=O)[C@H](C)Sc2ncc(C#N)c(N)n2)cc1Cl 14086749 MTULOVQQCMUIRJ-QMMMGPOBSA-N 363.830 2.712 30 40 FFEB CC/N=C1/S/C(=C/c2cc([N+](=O)[O-])c(OC)cc2OC)C(=O)N1CC 408929676 MMINZILPUGELMT-NUALOOOOSA-N 365.411 2.924 30 40 FFEB COc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(C)cc3C)C2=O)cc1 408534895 MWDVWWRDXTXECD-INIZCTEOSA-N 365.389 2.914 30 40 FFEB C[C@H]1COCCN1c1ccc(C(=O)Nc2cccc(C#N)c2)cc1[N+](=O)[O-] 32829985 NFNXJSQZQOISFS-ZDUSSCGKSA-N 366.377 2.944 30 40 FFEB CCN(CC)c1ccc(/C=N/NC2=NS(=O)(=O)c3ccccc32)cc1 4123784 PCWPVKINGCGEDG-CPNJWEJPSA-N 356.451 2.605 30 40 FFEB C=CCOc1ccc(C(=O)N2CC[C@H]3C[C@H](c4n[nH]c(C)n4)O[C@@H]3C2)cc1 2055756409 LZSDJRTVYODJQT-CGTJXYLNSA-N 368.437 2.670 30 40 FFEB C=CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2Cl)c1=O 51316018 SSZCTYAGFFXQCD-UHFFFAOYSA-N 369.808 2.641 30 40 FFEB CC1(C)CC(=O)C([C@](O)(C(=O)O)C(F)(F)F)=C(NCc2ccccc2)C1 101411764 BQHROQKTNQNITG-KRWDZBQOSA-N 371.355 2.797 30 40 FFEB C[C@@H](C(=O)NC1(C#N)CCCCC1)n1nnc(-c2ccc(Cl)cc2)n1 23939041 VTKZTCDXHCZLDH-LBPRGKRZSA-N 358.833 2.897 30 40 FFEB N#Cc1cc(NCC(=O)NCC(F)(F)F)ccc1OCC(F)(F)F 55849753 QZBQERXPOBIDPK-UHFFFAOYSA-N 355.238 2.590 30 40 FFEB C#CCN(Cc1ccc(C)cc1)C(=O)Cn1cccc(C(F)(F)F)c1=O 58003812 VPZYQEVISYEVDO-UHFFFAOYSA-N 362.351 2.838 30 40 FFEB CCOc1nnc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)s1 58167185 DFMUTEAXGPVCPF-UHFFFAOYSA-N 357.483 2.516 30 40 FFEB C=CCn1c(S[C@@H]2CCCCNC2=O)nc2cc(Cl)ccc2c1=O 11501290 NLQXZPSFEAQKKU-CQSZACIVSA-N 363.870 2.997 30 40 FFEB O=C1C(=O)N(CCO)[C@@H](c2ccc(F)cc2)/C1=C(O)/C=C/c1ccccc1 102883592 PFVZWFJNZINDAF-GNOYKPRDSA-N 367.376 2.796 30 40 FFEB CN1CCN(CC(=O)N(C)C2(C#N)CCCCC2)[C@H](c2ccccc2)C1 95469108 ZWCFENGPGMEJJH-IBGZPJMESA-N 354.498 2.660 30 40 FFEB Cc1ccc(S(=O)(=O)OC[C@H](O)[C@@H]2CCc3cc(F)ccc3O2)cc1 65748880 SRYHEPKRXGABEM-WMZOPIPTSA-N 366.410 2.594 30 40 FFEB in-vitro N#CC1(NC(=O)COC(=O)/C=C/c2nc3ccccc3s2)CCCC1 6176301 DVNHOJDVOIZAQK-BQYQJAHWSA-N 355.419 2.805 30 40 FFEB N#Cc1cccc(C(=O)N2CC3(CC[C@H](CN4CCCCC4)CO3)C2)c1 575404651 PAXIEJDDDPRIMD-GOSISDBHSA-N 353.466 2.665 30 40 FFEB COC(=O)c1ccc(/C=N/O[C@@H](C)C(=O)NCCc2ccccc2)cc1 15367956 FSTCQJCZIUCEJG-WXUSHSQQSA-N 354.406 2.571 30 40 FFEB CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)c1 4119694 FNVHUGOUKCCNFE-RCQQVGEISA-N 369.343 2.693 30 40 FFEB C=CCNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 5374770 HDINEWKDRHARHV-UHFFFAOYSA-N 369.446 2.582 30 40 FFEB C=CCSc1ccccc1NC(=O)CN1CCN(c2ncccn2)CC1 57392128 FMKYVRVXHIXPKS-UHFFFAOYSA-N 369.494 2.515 30 40 FFEB N#CC(=O)c1ccccc1N1CC[C@@H](NC(=O)c2ccc(F)cc2F)C1 101204226 XIYLMSNJRMRNJJ-CYBMUJFWSA-N 355.344 2.680 30 40 FFEB C=CCN1C(=O)N[C@H](c2ccc(C(=O)OC)cc2)C(C(=O)OCC)=C1C 3418894 UQAFIFOOVNKBMN-MRXNPFEDSA-N 358.394 2.563 30 40 FFEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1cc2c(cc1Cl)OCO2 408728175 IRZOYDNAYWDVLX-SQAKYQCPSA-N 358.781 2.600 30 40 FFEB COc1ccc(NC(=S)N/C(N)=N/c2nc(C)c3ccccc3n2)cc1 13598590 YIJBKFVBAAGOKC-UHFFFAOYSA-N 366.450 2.880 30 40 FFEB CSc1ncccc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 14232320 VTXPQLRMYHNBPL-QGZVFWFLSA-N 352.463 2.826 30 40 FFEB O=C1COc2ccc(C3=NN/C(=N\c4ccccc4F)SC3)cc2N1 15403924 NDGLAUKKIONDOZ-UHFFFAOYSA-N 356.382 2.885 30 40 FFEB N#CCC[C@H](C#N)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 7195903 YXEFZPYDELOGSD-MRXNPFEDSA-N 358.401 2.926 30 40 FFEB COC(=O)c1c(-n2c(C)cc(/C=N/NC(N)=S)c2C)sc(C)c1C 409196797 ZARYCDBFGHKTFD-CNHKJKLMSA-N 364.496 2.726 30 40 FFEB CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2cccc(C#N)c2)CC1 89212827 HDGOTGHJOSVHDL-UHFFFAOYSA-N 350.440 2.731 30 40 FFEB O/C(=N/Cc1nc(-c2ccncc2)cs1)C1(N2CCOCC2)CCC1 329325086 IMQBXXGPOTYRJN-UHFFFAOYSA-N 358.467 2.917 30 40 FFEB CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F 599543442 ARTLDICUTPBCGJ-KBRIMQKVSA-N 369.387 2.565 30 40 FFEB O=C1C[C@H](/C(O)=N/c2nc(C(F)(F)F)n[nH]2)CN1c1ccccc1F 40071134 CKRKUWFDONMRQG-ZETCQYMHSA-N 357.267 2.604 30 40 FFEB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 104033605 PZKGNMPLKFLOCC-TVSILOOVSA-N 363.439 2.992 30 40 FFEB N#Cc1c(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)sc2c1CCC2 102440340 YPVRZIGCXZWFCB-CHWSQXEVSA-N 371.462 2.612 30 40 FFEB N#CCCN(C(=O)CSc1nnc2ccccn12)c1ccc(F)cc1 2619734 QUASTVOOHKKTCF-UHFFFAOYSA-N 355.398 2.907 30 40 FFEB N#CC1(NC(=O)CSc2nncn2-c2ccccc2F)CCCCC1 6129322 CUDRWAUMXBMQSU-UHFFFAOYSA-N 359.430 2.841 30 40 FFEB C=C(C)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 9304570 HDTVNMLAKMRKNO-KGLIPLIRSA-N 356.900 2.991 30 40 FFEB CC(C)N1/C(=C/c2ccc(O)c(O)c2)C(=O)c2ccccc2S1(=O)=O 8990180 LYVORBHBPVMDQV-NTEUORMPSA-N 359.403 2.734 30 40 FFEB C#Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)c1 40060287 IQBOQJZBNGUTHJ-HNNXBMFYSA-N 364.401 2.677 30 40 FFEB Cc1nc(C(=O)N(c2ccccc2S(C)(=O)=O)C(C)C)ccc1C#N 75094342 DNXIDZOCPDPMCX-UHFFFAOYSA-N 357.435 2.720 30 40 FFEB CCOC(=O)COc1ccc(/C=N/Nc2nc3ccccc3n2C)cc1 408647246 BJTAUXKBEDMQNO-UDWIEESQSA-N 352.394 2.961 30 40 FFEB C#CCn1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)c2ccccc21 409091078 SYZQUOSFTLLBPI-SEJMYLSOSA-N 368.414 2.872 30 40 FFEB C=CCOc1cccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 223737800 RFUMCYWZFPWTOS-UHFFFAOYSA-N 362.407 2.980 30 40 FFEB C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)N1CCNC1=O 58179785 VXPATVVVUQNLMU-ZDUSSCGKSA-N 350.378 2.703 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccccc1F 5045107 QVRDXNUIXPPGCZ-MRXNPFEDSA-N 359.353 2.952 30 40 FFEB C#CCOc1c(CC=C)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1OC 409091355 PPZTYYFUBQNZRE-LFIBNONCSA-N 370.430 2.542 30 40 FFEB NC(=S)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 408753424 MRHMOTJABBEGHV-DJKKODMXSA-N 362.842 2.525 30 40 FFEB C=C(C)CN1CCN(C(=O)c2cc(-c3ccc(OCC)cc3)n[nH]2)CC1 43286250 XCFPALXSJORKEH-UHFFFAOYSA-N 354.454 2.809 30 40 FFEB C=CCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCC2)n1 225924023 BKHNGNDTYHBQPE-UHFFFAOYSA-N 360.531 2.930 30 40 FFEB CN1CCN(c2ccc(NC(=O)c3ccccc3SCC#N)cn2)CC1 1115831859 RXOXWJQGTGFQDG-UHFFFAOYSA-N 367.478 2.701 30 40 FFEB CCN1CCC[C@@H]1CNC(=O)c1ccc(Oc2ccncc2C#N)cc1 685937880 YNHYXVJWYPBJMG-QGZVFWFLSA-N 350.422 2.960 30 40 FFEB C/N=C1/S/C(=C\c2cc(Br)c(O)c(OC)c2)C(=O)N1C 5480274 KTOHRQJPPMHQCX-SHFOXUSYSA-N 357.229 2.695 30 40 FFEB C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)c3ccccc3)cc2C1=O 15089858 BDTBDGWPFXRSIS-ZDUSSCGKSA-N 363.369 2.897 30 40 FFEB CC(C)(C)C(=O)NC1CCN(c2ncc(Br)cc2C#N)CC1 2087121175 BKYDORBQYLYSER-UHFFFAOYSA-N 365.275 2.847 30 40 FFEB CC(C)(C)C(=O)N[C@@H]1CCCN(c2ncc(Br)cc2C#N)C1 450314519 BRIYBSSLJHMQNS-CYBMUJFWSA-N 365.275 2.847 30 40 FFEB C=CCn1c(SCC(=O)N[C@H](C)c2ccco2)nc2ncccc2c1=O 32885505 UAPJQMQLGWXOOH-GFCCVEGCSA-N 370.434 2.540 30 40 FFEB N#Cc1ccc(NCc2cccnc2N2CCC(C(N)=O)CC2)cc1Cl 78619353 RXYGXSWFNJZNHG-UHFFFAOYSA-N 369.856 2.920 30 40 FFEB C/C(=N\Nc1ccccn1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 12531649 JKGISZAAMTYVNE-KGENOOAVSA-N 370.434 2.989 30 40 FFEB Cc1nnc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)c(C#N)c1C 58172295 NVGSFZXYGSOVFQ-UHFFFAOYSA-N 366.421 2.854 30 40 FFEB COc1ccc(OC)c(/C(O)=N/S(=O)(=O)Cc2ccc(Cl)nc2)c1 58152336 RQJSLDIVACCNEI-UHFFFAOYSA-N 370.814 2.587 30 40 FFEB CCCNC(=O)c1c(/N=C/c2ccc(OC(F)F)c(OC)c2)cnn1C 2797943 WJCAHBAKDKQYRN-ZVBGSRNCSA-N 366.368 2.921 30 40 FFEB Cc1csc2nc(CSCC(=O)Nc3ccc(C#N)cc3)cc(=O)n12 12622426 HRIQYIKDUKXIPA-UHFFFAOYSA-N 370.459 2.808 30 40 FFEB COc1ccccc1CNC(=O)[C@H](C)O/N=C/c1cccc([N+](=O)[O-])c1 15332478 MIFJUTGXSIEGOD-HSWQHBDASA-N 357.366 2.659 30 40 FFEB N#CCC[C@@H](C#N)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 7195899 YXEFZPYDELOGSD-INIZCTEOSA-N 358.401 2.926 30 40 FFEB CCOc1cccc(/C=N\NC(=S)Nc2ccccc2)c1OCC(=O)O 409209162 GCWGDXHUIVTLCO-ODLFYWEKSA-N 373.434 2.869 30 40 FFEB CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C 33734551 PYQFGJLGGFHFNC-RGVLZGJSSA-N 358.467 2.699 30 40 FFEB N#C[C@]1(CO)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242614923 PMDUAGOOQXJPRP-ZACQAIPSSA-N 365.813 2.921 30 40 FFEB N#CC1(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)CCOCC1 95363551 LVEJDHZSJVPSKC-PKOBYXMFSA-N 371.456 2.569 30 40 FFEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(Br)cc1)[C@H]1C=C[C@@H]2C12CC2 5023948 QMTDZAVNWVAJSX-BHPARCMQSA-N 371.234 2.980 30 40 FFEB CCc1ccc(S(=O)(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 30359118 DFIKMESKAOOZME-UHFFFAOYSA-N 373.453 2.771 30 40 FFEB Cc1nn(CC(=O)N[C@@H](C)c2cccc3ccccc23)c(=O)c(C#N)c1C 12864716 KCRGECMJLFPNGX-HNNXBMFYSA-N 360.417 2.762 30 40 FFEB Cc1nn(C)c(C)c1S(=O)(=O)/N=C(\O)CCc1cccc(Cl)c1 48534623 GJYHXVHGGHESEW-UHFFFAOYSA-N 355.847 2.968 30 40 FFEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1C 5377784 QQJIOFACVSBDBZ-WTIYMYMHSA-N 366.508 2.705 30 40 FFEB CC(C)=C1C[C@@H]2[C@](C)(O)[C@H](OC(=O)[C@@]3(C)O[C@@H]3C)CC[C@]2(C)CC1=O 31165568 COBSHSDADSYWJI-MOSDKIRPSA-N 350.455 2.942 30 40 FFEB biogenic,in-vitro N/C(=N\OC(=O)c1cccnc1Cl)c1ccc(-c2csnn2)cc1 4280765 ZPQMTDQFQYPEML-UHFFFAOYSA-N 359.798 2.731 30 40 FFEB Cc1nc(C(C)(C)C)nc(N2CCN(c3ccc(C#N)cn3)CC2)c1F 1888860062 VXIKWNHEFRQEMR-UHFFFAOYSA-N 354.433 2.815 30 40 FFEB C=CCN1CCO[C@H]2CN(C(=O)c3cccc(OC(C)C)c3)CC[C@@H]2C1 1565550768 FASDWJALOOEXSJ-QUCCMNQESA-N 358.482 2.823 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C\c1ccc(Br)cc1 100200558 URPZHFWDRVPDSQ-ZWJKAZIXSA-N 371.234 2.836 30 40 FFEB CCOc1cc(/C=N\Nc2nncn2N)ccc1OCc1ccccc1F 28630261 ZYRDHJSFUGWDQT-FBHDLOMBSA-N 370.388 2.555 30 40 FFEB CN(CCC#N)C(=O)COC(=O)c1ccc(OCc2ccccc2)cc1 3281063 GAZXYTQRWQNULO-UHFFFAOYSA-N 352.390 2.794 30 40 FFEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)[C@H]2Oc3ccccc3[C@H]2C)s1 83150503 KBCWSCLVGMJIFD-OQPBUACISA-N 352.437 2.970 30 40 FFEB C[C@@H](OC[C@@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCCC2 69284193 DLJOOBLZZOTTOQ-CJNGLKHVSA-N 367.467 2.795 30 40 FFEB N#Cc1cc(F)cc(C(=O)N2CCO[C@@]3(CCCC[C@H]3N3CCCC3)C2)c1 306141864 WIQXGDOQVJCVFJ-CTNGQTDRSA-N 371.456 2.947 30 40 FFEB COc1cc(/C=N/n2c(C)nnc2S)cc(Br)c1OC 408848508 QVPQMEHBKNAZDI-MKMNVTDBSA-N 357.233 2.537 30 40 FFEB N#Cc1cc2cc3c(cc2nc1NCCNC(=O)c1ccccc1)OCO3 35311313 ZBHLZLDODLQDTP-UHFFFAOYSA-N 360.373 2.677 30 40 FFEB COc1ccc(Br)cc1/C=N/NS(=O)(=O)c1ccccc1 862932 MDTZYOWZYFEBJI-MHWRWJLKSA-N 369.240 2.770 30 40 FFEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccco2)cc1 104187792 AVEZYXIEEUYHLF-GHNGSUTGSA-N 368.433 2.961 30 40 FFEB Cc1c(-c2ccccc2)nn(OS(=O)(=O)N(C)C)c1-c1ccccc1 3051253 OIIQXUVRLCJKIS-UHFFFAOYSA-N 357.435 2.761 30 40 FFEB Cc1cc([N+](=O)[O-])nn1CCCC(=O)Nc1sc2c(c1C#N)CCC2 3896258 RYSJRMCVEMVPMN-UHFFFAOYSA-N 359.411 2.941 30 40 FFEB C=CCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 3328617 MUEZXBGKLZWOGD-UHFFFAOYSA-N 370.902 2.966 30 40 FFEB COc1cc(N2CCCC2)ccc1C=Nn1c(O)nc2ccccc2c1=O 409349350 QAPCZMZUQLEJBW-UHFFFAOYSA-N 364.405 2.593 30 40 FFEB CS(=O)(=O)c1ccc(NC(=O)CNc2ccc(Cl)c(C#N)c2)cc1 14095731 IXPVASLGXXYQKM-UHFFFAOYSA-N 363.826 2.666 30 40 FFEB CC(C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl 5377330 KQTIDLDDQCRDPU-TWWIOWFMSA-N 372.899 2.597 30 40 FFEB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(C#N)cc2)c1 5636191 SQOYAXKDEVNNOA-UHFFFAOYSA-N 357.435 2.841 30 40 FFEB Cc1ccc(N2C(=O)N(CC(=O)Nc3ccccc3C#N)C(=O)[C@@H]2C)cc1 6841290 MGHHOECRUGEXIM-AWEZNQCLSA-N 362.389 2.663 30 40 FFEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccccc2)cc1 15920053 JKHSUNXTCWHBRB-GOSISDBHSA-N 367.401 2.656 30 40 FFEB COc1cc(/C=N/n2c(S)nnc2C(F)F)ccc1OC(F)F 8470973 GRVLFWOHDPACLW-YAXRCOADSA-N 350.297 2.997 30 40 FFEB COc1ccc(NC(=O)NCCNc2cccc(F)c2C#N)c([N+](=O)[O-])c1 32934654 VXEVOFMWQOPCRZ-UHFFFAOYSA-N 373.344 2.848 30 40 FFEB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)C(=O)O)cc1 218403231 QDOYOONKAUQSQX-AOIWGVFYSA-N 355.415 2.783 30 40 FFEB C=C1C[C@@H]2OC(=O)C(=C)[C@@H]2[C@@H](OC(=O)/C(C)=C\C)C[C@@]2(C)OC1=CC2=O 252504439 BITFKDUCQOBZDL-ADHSBMLZSA-N 358.390 2.554 30 40 FFEB biogenic,in-vitro CCOc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C)C#N)cc3C2=O)cc1 3471382 KEZKGCAJJOFQDQ-GFCCVEGCSA-N 364.357 2.955 30 40 FFEB CN(c1cccnc1C#N)C1CN(c2ccc(-c3ccc(F)cc3)nn2)C1 1888897512 MKXDARMFNFLVFC-UHFFFAOYSA-N 360.396 2.874 30 40 FFEB CCCCOC[C@@H](O)C[N+](C)(C)CC(=O)c1ccc(Br)cc1 3151237 QPUNXBWVYHQJHB-INIZCTEOSA-N 373.311 2.886 30 40 FFEB COc1cccc(C(=O)C2=C(O)C(=O)N[C@H]2c2cc(OC)ccc2OC)c1 6282958 WOCPISROZMYACX-KRWDZBQOSA-N 369.373 2.578 30 40 FFEB C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)N1CCNC1=O 58160275 IWKRYMFIQVSVME-CYBMUJFWSA-N 350.378 2.703 30 40 FFEB CC1CCN(C[C@@H]2CCCN(C(=O)COc3ccc(C#N)cc3)C2)CC1 58268487 WBYMYJQKAUUAGG-IBGZPJMESA-N 355.482 2.908 30 40 FFEB N#CC(=O)c1ccccc1N1CC[C@H](NC(=O)c2ccc(F)c(F)c2)C1 101198464 KUDFKMNUQJXDKN-ZDUSSCGKSA-N 355.344 2.680 30 40 FFEB CC(=O)Nc1ccc(S(=O)(=O)/N=C2/C=CC(=O)c3ccccc32)cc1 104394077 YSKDJLPOIHGCTK-JZJYNLBNSA-N 354.387 2.576 30 40 FFEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1C 5516227 DLUWRMPUTQEMSV-OVJMFRMASA-N 372.899 2.660 30 40 FFEB C[C@H](Sc1nnnn1C)C(=O)Nc1sc2c(c1C#N)CCCCC2 8313081 NPKVPMJHMSSMHH-VIFPVBQESA-N 362.484 2.531 30 40 FFEB CC(C)Oc1ccc(C(=O)N2CCN(c3ccc(N)cc3C#N)CC2)cc1 70462142 NWGVMFDBJAZHPP-UHFFFAOYSA-N 364.449 2.890 30 40 FFEB CC(C)(C)OC(=O)/N=C(\N=C(/O)OC(C)(C)C)NCCCCC(=O)O 34569712 PDHAIWOFMLXREX-UHFFFAOYSA-N 359.423 2.851 30 40 FFEB Cc1nc(C/C(N)=N\OCC(=O)N2c3ccccc3CC[C@@H]2C)cs1 63456841 SQBCOEIXSFDEBE-LBPRGKRZSA-N 358.467 2.651 30 40 FFEB CC(C)(C)OC(=O)N1CCC[C@@H](S(=O)(=O)c2ccc(C#N)cc2)C1 89212867 HBLAYEBRAVDDJK-OAHLLOKOSA-N 350.440 2.731 30 40 FFEB Cc1cc(N2CC[C@]3(NC(=O)c4cncs4)CCC[C@@H]23)c(C#N)cn1 1615610536 DKQWCWHJCCWRTB-SJLPKXTDSA-N 353.451 2.650 30 40 FFEB C[S@](=O)[C@@H]1CCCC[C@]1(O)CSc1nc2c(cc1C#N)CCCC2 5353527 FWTFALTUGIYPJQ-SDWUMEBZSA-N 364.536 2.976 30 40 FFEB N#Cc1ccc(CN2CC[C@H](NC(=O)c3sccc3Cl)C2=O)cc1 565041371 FLQSWICNDUDZKK-AWEZNQCLSA-N 359.838 2.804 30 40 FFEB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)COc1ccc(C#N)cc1 6083073 DROVKHCFSZCXGW-UHFFFAOYSA-N 357.797 2.688 30 40 FFEB CN1C(=O)C[C@@H](C(=O)O)S/C1=N/c1ccc(OC(F)(F)Cl)cc1 100092589 SNTDSRXXMBLHDI-NXVNHVPESA-N 364.757 2.891 30 40 FFEB O=C(O)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(F)cc1 102529930 QWQMQFVFVHVSAM-HVESIFNPSA-N 369.348 2.722 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(OC)cc1 102805021 PEGCOXLRPHPLMA-SELCWUDQSA-N 367.401 2.763 30 40 FFEB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)c1C 3479975 WWPSCTXVHQLMAP-ZDUSSCGKSA-N 353.378 2.890 30 40 FFEB N#CCC(=O)Nc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1 3495800 MTJWIVGVAXXOHZ-UHFFFAOYSA-N 364.405 2.628 30 40 FFEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1/C=N\Cc1ccccc1 408538237 ZLDWEVVIUJVFGO-PFHZTYADSA-N 355.781 2.810 30 40 FFEB Cc1nc(C/C(N)=N/OCc2cc(Cl)c3c(c2)OCCO3)cs1 72037213 DNWQBWMGOOQHEX-UHFFFAOYSA-N 353.831 2.908 30 40 FFEB COc1ccc(CN2CNC(=Nc3nc(C)c4ccccc4n3)NC2)cc1 19320864 MJIULSZYLLJONS-UHFFFAOYSA-N 362.437 2.544 30 40 FFEB COc1cc(/C=N\c2ccc(O)c(C(=O)O)c2)ccc1O[C@H](C)C(=O)O 409017486 WXSGSTMHKCFULO-DWOMLUCJSA-N 359.334 2.702 30 40 FFEB COc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2c(C(N)=O)cnn21 40268074 NVUUYERFTKWAHQ-KRWDZBQOSA-N 366.421 2.649 30 40 FFEB CC(C)c1cc(C(=O)Nc2cccc(C#N)c2)nc(N2CCOCC2)n1 96100995 FIZJTSJFPRVQQX-UHFFFAOYSA-N 351.410 2.561 30 40 FFEB CNc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(F)cc1 32828752 GLZVCFQQJQCKSX-HNNXBMFYSA-N 356.382 2.849 30 40 FFEB Cc1ccc(COC(=O)c2cccc(S(=O)(=O)NCCC#N)c2)cc1 24728512 CHQHERBSAUEKCJ-UHFFFAOYSA-N 358.419 2.544 30 40 FFEB C=CCn1c(C)cc(C(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c1C 6607380 TXSJKKVRQLEIOW-UHFFFAOYSA-N 365.389 2.567 30 40 FFEB N#Cc1c(N)n(CCNC(=O)c2cccs2)c2nc3ccccc3nc12 2306437 ONLZOEOBFXLYRS-UHFFFAOYSA-N 362.418 2.530 30 40 FFEB C=CCOc1ccc(CN(C)C(=O)CN2C(=O)c3ccccc3C2=O)cc1 3409406 HCVKKZFBNXQVQL-UHFFFAOYSA-N 364.401 2.506 30 40 FFEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@H]2CCCN(c3ncccn3)C2)cc1C 48474262 NUCQWBZWUCVGHV-HNNXBMFYSA-N 374.466 2.655 30 40 FFEB Cc1nc(COc2ccccc2/C=C/C(O)=N/S(C)(=O)=O)cs1 48480501 CFYKMFYXSQEBAU-BQYQJAHWSA-N 352.437 2.960 30 40 FFEB C=CCN1C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(C(=O)OC)=C1C 12979281 VXPPCZBVAFKMII-AWEZNQCLSA-N 352.337 2.987 30 40 FFEB C/C(=N\NC(=S)[C@@H]1COc2ccccc2O1)[C@H]1COc2ccccc2O1 5215485 IXXRBARQCKUKDD-SLCIEKFFSA-N 370.430 2.959 30 40 FFEB C/C(=N\NS(=O)(=O)c1cc(C)ccc1C)c1ccc2c(c1)OCCO2 6931466 JDOJJSILDXNMFD-XMHGGMMESA-N 360.435 2.777 30 40 FFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1 7538671 JNFUFYGMDSXPCX-AUUYWEPGSA-N 364.401 2.889 30 40 FFEB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)O/N=C(\N)c1ccccc1Cl 8986260 FZHIMSAMYSFHIT-CQSZACIVSA-N 363.801 2.551 30 40 FFEB CCOC(=O)[C@@]1(C#N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 218032400 CTHVNZYEIIDUDK-AOIWGVFYSA-N 355.415 2.699 30 40 FFEB CCCCNc1oc(-c2cc(S(=O)(=O)N(C)C)c(C)o2)nc1C#N 40287055 QUELBTSIGCUJMN-UHFFFAOYSA-N 352.416 2.577 30 40 FFEB CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(C#N)c2)cc1 222848812 SRPRUVKUVDRQQC-UHFFFAOYSA-N 371.462 2.816 30 40 FFEB C=CCN1CCC[C@]12CCCN(S(=O)(=O)c1ccc(C)c(F)c1)C2 96214835 WSOCGGHDMUSXNZ-GOSISDBHSA-N 352.475 2.939 30 40 FFEB CN(C(=O)CN1CCN(c2ccccc2F)CC1)C1(C#N)CCCCC1 57369378 AFICQYVBZMSJJS-UHFFFAOYSA-N 358.461 2.633 30 40 FFEB N#CC1(NC(=O)COC(=O)/C=C/c2c(F)cccc2Cl)CCCC1 6590855 BDRDMROCNLWQQV-VOTSOKGWSA-N 350.777 2.988 30 40 FFEB Cc1nnc(N/N=C/c2ccc(-c3ccc(Br)cc3)o2)n1N 4187843 YZNZXSXYYZMSLQ-CAOOACKPSA-N 361.203 2.769 30 40 FFEB COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3CN(C)C)C2=O)cc1 13653849 FUJJZSAXFKBQJA-YVLHZVERSA-N 353.374 2.857 30 40 FFEB Cc1ccc([C@@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)o1 5595834 FBWAFTDDFQGCKV-GROYHEBESA-N 372.396 2.710 30 40 FFEB C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O 58200992 DWPFQFRROBTUHL-IBGZPJMESA-N 367.792 2.862 30 40 FFEB CCOc1cc(/C=N/NCc2ccccc2OC)ccc1OCC(=O)OC 20763152 XFHKXCSZQRDAGB-CIAFOILYSA-N 372.421 2.769 30 40 FFEB COc1cc2c(cc1OC)CN(C(=O)COc1cccc(C#N)c1)CC2 45747995 BMYJQLMYDZMINP-UHFFFAOYSA-N 352.390 2.539 30 40 FFEB CN(C)CCN1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N 3320350 VKVQBCVOKMILPS-UHFFFAOYSA-N 362.886 2.537 30 40 FFEB COc1ccc(/C=N/Nc2ncnc3ccccc23)c(C(=O)O)c1OC 4387667 CUIUEZJZJZDTJD-ZVBGSRNCSA-N 352.350 2.791 30 40 FFEB Cc1nnc(=O)[nH]c1N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 4422710 XOGATPHASJYUMB-KEBDBYFISA-N 353.357 2.637 30 40 FFEB C=C(C)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)=O)cc1 6719134 YFBCMBBDBQMASI-HZPDHXFCSA-N 364.492 2.540 30 40 FFEB C=CCN(CC1=C(C(=O)OCC)[C@@H](CC)NC(=O)N1)Cc1cccs1 23324346 JBHXGLVYYDXUPU-CQSZACIVSA-N 363.483 2.645 30 40 FFEB N#C[C@@]1(C(=O)O)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218381762 ZMDWMBXXSXOTSK-HLLBOEOZSA-N 361.806 2.874 30 40 FFEB Cc1ccc(NC(=O)c2c(O)n(-c3ccc(C)cc3)n[n+]2CCC#N)cc1 5274765 QQTRCWKCYSECCE-UHFFFAOYSA-O 362.413 2.648 30 40 FFEB CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1[C@@H](O)[C@@H](F)C2 1848349791 GTHLUQQEKIJSME-GUYCJALGSA-N 365.357 2.821 30 40 FFEB C[C@@H](C(=O)N1CCCCCC1)N1CCCN(Cc2ccc(C#N)cc2)CC1 21406367 MQUVHEDNGFTCBK-IBGZPJMESA-N 368.525 2.857 30 40 FFEB COC(=O)/C(C(C)=O)=C1\N=C(NC(=O)c2cccc(C)c2)c2ccccc21 1889102 BDXINDPRNQFQEH-ZCXUNETKSA-N 362.385 2.658 30 40 FFEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cnc(Cl)c(Cl)c1 39587408 DWNPTHPVEICNLM-RFAUZJTJSA-N 358.225 2.988 30 40 FFEB CCOc1ccccc1N/C=c1/c(C)c(C#N)c2nc3ccccc3n2c1=O 5020288 DGWOJMJBWYMQPN-SSZFMOIBSA-N 370.412 2.996 30 40 FFEB O=S(=O)(/N=C(\O)OC[C@@H]1CCCN2CCCC[C@H]12)c1ccc(F)cc1 19857514 PPYNBSFRXMRRLN-XJKSGUPXSA-N 370.446 2.710 30 40 FFEB C=CCNC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 8271318 RNOQUVHRMPUYHI-UHFFFAOYSA-N 363.508 2.789 30 40 FFEB C[C@@H](OC[C@@H]1CCCCO1)/C(O)=N/S(=O)(=O)c1ccc(F)cc1F 64099534 OSAZFYMQSCWNAC-PWSUYJOCSA-N 363.382 2.584 30 40 FFEB C=CCN(C(=O)OCC)n1c(C)nc2ccc(NC(=O)OCC)cc2c1=O 255187344 CWHZZXFOCJZOFR-UHFFFAOYSA-N 374.397 2.554 30 40 FFEB C=CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1(F)CC1)C2 585107554 ZNYITTGIJFCGJW-HXUWFJFHSA-N 352.413 2.808 30 40 FFEB Cc1nc2c(C#N)cnn2c(O)c1CC(=O)Nc1nc(C(C)(C)C)cs1 40114783 WVSDQRKEBLXALH-UHFFFAOYSA-N 370.438 2.550 30 40 FFEB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)[C@H]1CC(=O)N(C(C)C)C1 102125990 ZXCPWXBZVXZXEQ-ZFWWWQNUSA-N 351.406 2.625 30 40 FFEB COc1ccc([C@@H]2/C(=C(/C)O)C(=O)C(=O)N2Cc2cccnc2)cc1OC 102731345 GWBIZICMOMDHGV-XCMFGDQWSA-N 368.389 2.583 30 40 FFEB C[C@H]1C/C(=N\Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC(C)(C)C1 5019509 DTBSEVMQCAVQJL-SMBGSVLFSA-N 354.432 2.856 30 40 FFEB CCOC(=O)C1CCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 14188717 SBZSUVOOZNLNDX-LBPRGKRZSA-N 363.845 2.814 30 40 FFEB N#Cc1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 7375774 IAHLGRIMTJWWRX-UHFFFAOYSA-N 364.430 2.847 30 40 FFEB CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C 36638707 YAIUEQOOISCNKR-HNDXHMJSSA-N 366.508 2.643 30 40 FFEB CCc1nccn1[C@H]1CCCN(/C(O)=N/Cc2cn3ccccc3n2)C1 329304721 OLPYYVHMBRIWAF-INIZCTEOSA-N 352.442 2.844 30 40 FFEB COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3ccc(C#N)cc3)C2)c1 5030251 RVPOSFRNPHPZTD-GOSISDBHSA-N 351.362 2.707 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccnc1 19138763 WLPOCMLYEXBSEZ-KRWDZBQOSA-N 352.390 2.615 30 40 FFEB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2ccc(C#N)cc2F)C1 548337701 RCGHVCPHLSFEII-GOSISDBHSA-N 358.442 2.700 30 40 FFEB N#Cc1cccc(COc2cccc(NC(=O)CN3CSCC3=O)c2)c1 32289299 HKSFBUCVGVFKGV-UHFFFAOYSA-N 367.430 2.609 30 40 FFEB C#CCONC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 3029428 YEZRQGJIPFVUDS-UHFFFAOYSA-N 371.233 2.863 30 40 FFEB C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(c2ccc(F)cc2)CC1 57024384 IBKBNVWNQGJUFK-INIZCTEOSA-N 358.461 2.679 30 40 FFEB N#CCSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 3572719 QUIXWUCRPMZKHN-UHFFFAOYSA-N 364.452 2.527 30 40 FFEB Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(N)nc(=O)c32)cc1 4385819 SHUHKTRZAXBVBG-AWEZNQCLSA-N 350.422 2.861 30 40 FFEB CCN1C(=O)C(CC(=O)O)=C(C(=O)c2ccccc2Cl)[C@H]1SC 62716323 BDPVVLUWPGJWHJ-MRXNPFEDSA-N 353.827 2.845 30 40 FFEB C[C@]12CC[C@@H]3c4ccc(O)cc4C(=NOCC(=O)O)C[C@H]3[C@@H]1CC[C@@H]2O 263620251 AWARIMYXKAIIGO-XQRBHQRSSA-N 359.422 2.872 30 40 FFEB in-vitro COC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1OC)C2=O 2098285 DIZQYAMTKRLFQH-LSCVHKIXSA-N 370.357 2.872 30 40 FFEB biogenic N#Cc1nccnc1N1CCC(CNC(=O)c2ccc(Cl)s2)CC1 206601944 LYMRWKVXCRTOSX-UHFFFAOYSA-N 361.858 2.710 30 40 FFEB CC1(C)CC(=O)C2=C(C1)Oc1ncn(CCO)c(=N)c1[C@H]2c1ccccc1 101163560 UGOJFJSYMZOUSB-INIZCTEOSA-N 365.433 2.522 30 40 FFEB Cc1c([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc(C#N)n1C 32814647 GFVQCONQIFIFBM-HNAYVOBHSA-N 350.422 2.951 30 40 FFEB COc1cc2c(cc1OC)CN(C(=O)COc1ccc(C#N)cc1)CC2 2628340 NEURXGVHLYGDCK-UHFFFAOYSA-N 352.390 2.539 30 40 FFEB COc1ccc(OC/C(O)=N/S(=O)(=O)c2cc(F)ccc2F)cc1 46929023 MASZBQXIMFJHOW-UHFFFAOYSA-N 357.334 2.698 30 40 FFEB CN(CCC#N)C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6343624 QMQFPUDLMQWDCD-UHFFFAOYSA-N 361.398 2.612 30 40 FFEB N#Cc1ccccc1COC(=O)CCNC(=O)CCC(=O)c1ccccc1 16699186 MFRFAIKZSMRVMK-UHFFFAOYSA-N 364.401 2.771 30 40 FFEB N#CN/C(=N\c1ccccc1)S[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 13573242 YDKDIRYCDAJTKD-HNNXBMFYSA-N 368.393 2.949 30 40 FFEB Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)n(Cc2ccco2)c1C 23479803 SNJKMHWEPOCUNU-ZIAGYGMSSA-N 370.453 2.666 30 40 FFEB CN(Cc1ccsc1)C(=O)CN1C(=O)CS/C1=C\C(=O)C(C)(C)C 24986807 YCGXFNUNADRFHJ-APSNUPSMSA-N 366.508 2.739 30 40 FFEB C=CCN1C(=O)N[C@H](c2ccccc2OC(F)F)C(C(=O)OC)=C1C 7550928 NMLFTJKGPRERAK-CQSZACIVSA-N 352.337 2.987 30 40 FFEB C[C@H]1CN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@@H]5[C@H]23)C[C@@H](C)O1 100743647 ADDHZWLTSYXUMP-JZFBGEJGSA-N 363.498 2.621 30 40 FFEB S=C(N/N=C/C=N/NC(=S)Nc1ccccc1)Nc1ccccc1 101397331 PBZVFTLDLRWLHO-JYFOCSDGSA-N 356.480 2.931 30 40 FFEB Cc1ccc(C(=O)NCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)no2)cc1 12699442 VKBDVIHURUOUIY-QGZVFWFLSA-N 374.400 2.960 30 40 FFEB N#Cc1cccc(S(=O)(=O)/N=C(\O)c2csc(-c3ccco3)n2)c1 48608424 VKEAZEXZBYVJJJ-UHFFFAOYSA-N 359.388 2.968 30 40 FFEB COc1ccc(OC)c(N2CC(=O)C(c3nc4ccc(C)cc4[nH]3)=C2N)c1 5182827 OJNZPVOUZGRUSP-UHFFFAOYSA-N 364.405 2.605 30 40 FFEB COc1ccc(NC(=O)C[C@H]2S/C(=N\C3CC3)N(C3CC3)C2=O)cc1 4681862 OHEHBPBNJOLUDG-MEUCICPISA-N 359.451 2.649 30 40 FFEB N#CC1(C(=O)N[C@@H]2CCc3nnc(Cc4ccccc4)n3C2)CCCCC1 95998213 CDIQSHLBEGMSRZ-QGZVFWFLSA-N 363.465 2.774 30 40 FFEB Cc1ccc(N/C(=N\OC(=O)c2ccc(C)cc2)c2nonc2N)cc1 5004858 OKIVDBFBKXSUEM-UHFFFAOYSA-N 351.366 2.899 30 40 FFEB N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CCCc3ccccc32)cc1 40128562 GJIFGKIZLVKFLU-IBGZPJMESA-N 368.458 2.667 30 40 FFEB C#CCOc1c(Cl)cc(/C=C2\NC(=S)N(CCC)C2=O)cc1OC 3662687 RVGOVKMAPHNPST-LCYFTJDESA-N 364.854 2.828 30 40 FFEB CN(CCC#N)C(=O)CSc1nc(N)c2c3c(sc2n1)CCCC3 9367718 UAZPDTOWDVDYLR-UHFFFAOYSA-N 361.496 2.616 30 40 FFEB N#Cc1c(NC(=O)COC(=O)c2n[nH]c3ccccc23)sc2c1CCC2 6370730 FGHVATWATZAHLN-UHFFFAOYSA-N 366.402 2.780 30 40 FFEB CC[C@@H](c1ccccc1)N(CC(=O)OC)S(=O)(=O)c1cccc(C#N)c1 95445391 HAFKGUWHVSGDCE-SFHVURJKSA-N 372.446 2.873 30 40 FFEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(CN3CCOCC3)cc2)c1O 4699766 PDBPRRICVWHYMV-UDWIEESQSA-N 371.393 2.892 30 40 FFEB N#Cc1ccc(C(F)(F)F)nc1N1CCN(c2ncccc2F)CC1 90144381 BKAWXPBLQRIPKY-UHFFFAOYSA-N 351.307 2.833 30 40 FFEB COc1cccc(S(=O)(=O)/N=C(\O)[C@@H](C)Oc2ccccc2C#N)c1 69365872 ORBVYOQMJYDQGN-GFCCVEGCSA-N 360.391 2.680 30 40 FFEB CS(=O)(=O)Cc1cccc(C(=O)N(c2ccc(C#N)cc2)C2CC2)c1 89842369 IYEBSFZZQTYWIT-UHFFFAOYSA-N 354.431 2.912 30 40 FFEB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 118929733 VZDIQCCVBGYEMW-RGDQPOFZSA-N 374.452 2.843 30 40 FFEB C#CCN(Cc1ccccc1)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1O 257318775 VPGZUHAVOSHLRH-SFTDATJTSA-N 364.445 2.504 30 40 FFEB N#CCc1cccc2c1CCN(CC(=O)N1CCC(c3ccccc3)=N1)C2 599686369 RNBPCEYCUODZES-UHFFFAOYSA-N 358.445 2.747 30 40 FFEB CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)Cc2ccc(Cl)s2)CC1 91515931 XPJFAUSFFWRNKG-HNNXBMFYSA-N 368.934 2.526 30 40 FFEB C/C(C[C@@H](C[N+](=O)[O-])c1ccccc1)=N\c1ccc(S(N)(=O)=O)cc1 5612743 OCLYZSRTSIADOB-SJPXOZHESA-N 361.423 2.877 30 40 FFEB N#Cc1cnc(N2C[C@@H]3CN(c4cc(C5CC5)ncn4)C[C@H]3C2)c(Cl)c1 1888849570 YDEAPRRPSGMAOZ-GJZGRUSLSA-N 366.856 2.847 30 40 FFEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1cccs1 8771827 UYRNCUNPWMIHHP-IDTYTIONSA-N 360.435 2.715 30 40 FFEB CS[C@H]1C(C(=O)c2ccc(F)cc2)=C(CC(=O)O)C(=O)N1CC(C)C 62716442 LGSFBSAYBSRDMG-SFHVURJKSA-N 365.426 2.967 30 40 FFEB CC(C)CN1CCO[C@]2(CCCC[C@@H]2NC(=O)c2ccc(C#N)cc2)C1 306126358 DTKGWZIZGFZSKQ-PZJWPPBQSA-N 355.482 2.958 30 40 FFEB COC(=O)C(C)(C)c1ccc(N2CC(=O)C(c3ccccc3)=C2N)cc1 28114487 QTODBEFXKVGMJW-UHFFFAOYSA-N 350.418 2.854 30 40 FFEB CN(CCC#N)C(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1 23107359 OVFAXXUFXOIPPX-UHFFFAOYSA-N 368.462 2.591 30 40 FFEB Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3cccc(C#N)c3)CC2)c1 24167848 OTXMHRYPDJIOTM-UHFFFAOYSA-N 369.490 2.682 30 40 FFEB N#Cc1nc(COc2ccc3c(c2)OCO3)oc1NCCCn1ccnc1 31808063 YJXGBJMIEQNCFA-UHFFFAOYSA-N 367.365 2.553 30 40 FFEB N#Cc1c(NC(=O)CN2CCN(c3ccccc3)CC2)sc2c1CCC2 34867533 WVGRTYCCARDHGG-UHFFFAOYSA-N 366.490 2.869 30 40 FFEB CCc1nn2c(nnc3c(=O)n(CCS)ccc32)c1-c1ccc(F)cc1 40391611 BCJYMVFEGNDBNN-UHFFFAOYSA-N 369.425 2.738 30 40 FFEB CN(C)S(=O)(=O)c1cccc(NC(=S)N/N=C/[C@@H]2CC=CCC2)c1 13682999 WCYAIURDYHCKOE-LVLBFHFTSA-N 366.512 2.565 30 40 FFEB CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(N(C)C)cc1 870976 ULAKIRYGFYPIRC-GOSISDBHSA-N 351.406 2.632 30 40 FFEB C#CCN(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(c2ccc(CC)cc2)C1 40152440 NFYDNCRNAYFZPT-AWEZNQCLSA-N 352.356 2.626 30 40 FFEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3c(C#N)cnn32)cc1OC 40284801 REISELMLWYVPDI-SFHVURJKSA-N 350.378 2.794 30 40 FFEB C=CCON1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(Cl)C[C@]2(Cl)C(Cl)=C1Cl 104085529 OUJMQUZNSJGMOH-KUGABMNMSA-N 357.020 2.767 30 40 FFEB O=[N+]([O-])c1ccc([C@@H](O)/C(=N\O)c2nc3ccc(Cl)cc3nc2O)cc1 104295146 BUNZELLKAVADAP-CTFRJJSNSA-N 374.740 2.809 30 40 FFEB COc1cccc(NC(=S)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1 3248279 UDHFZHYPEQCTCT-CAOOACKPSA-N 374.378 2.653 30 40 FFEB CN(C)c1ccc(C(=O)OCC(=O)N(CCC#N)c2ccccc2F)cc1 2634358 ZPSFZKSPKWVVKU-UHFFFAOYSA-N 369.396 2.995 30 40 FFEB N#Cc1c(-c2ccccc2)nc(SCC(=O)N2CCCCCC2)[nH]c1=O 5238219 FLHBQJWLJHIKHH-UHFFFAOYSA-N 368.462 2.803 30 40 FFEB CS(=O)(=O)N1CCCc2cc(C(=O)COc3ccc(C#N)cc3)ccc21 8448707 HUKMUCPUVRQXBM-UHFFFAOYSA-N 370.430 2.532 30 40 FFEB C=CCc1ccc(OCC(=O)NCc2ccc3c(c2)OCCO3)c(OC)c1 8937606 GTLWREXUWFOKDW-UHFFFAOYSA-N 369.417 2.890 30 40 FFEB COc1ccc(/C=C/C(=O)c2ccccc2NS(C)(=O)=O)cc1OC 95939610 JLBYWXHQYQKGEP-CSKARUKUSA-N 361.419 2.971 30 40 FFEB C[C@H](NC(=O)CON=C1CCC2(CC1)OCCO2)[C@H]1C[C@H]2CC[C@H]1C2 108064906 QQKRUEYSXFGKKG-QBYUYEEZSA-N 350.459 2.617 30 40 FFEB Cc1cc(C=O)c(O)c(/C=N/CC/N=C/c2cc(C)cc(C=O)c2O)c1 2273682 BTCUSZGCBDOBJH-VGENTYGXSA-N 352.390 2.878 30 40 FFEB C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)[C@H](O)C[C@@H]3C(C)(C)[C@H](O)CC[C@]3(C)[C@H]1C2 514288081 NJXOESIYMRITAI-HQTAEVLYSA-N 364.482 2.939 30 40 FFEB biogenic,in-vitro CC1=C2[C@H]3OC(=O)[C@H](CN4C[C@H](C)O[C@@H](C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O 35361842 GDXMPYQBACNJOM-ZJKVHLFESA-N 359.466 2.509 30 40 FFEB biogenic CC[C@]12OC(=N)[C@](C#N)([C@H]1C)C(C#N)(C#N)[C@@H](c1cccc([N+](=O)[O-])c1)O2 102720549 IAGWJPOMLYEFDO-XWGGXCHLSA-N 365.349 2.960 30 40 FFEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 101317256 ULZMFLOMHBUJAE-BREGNPSQSA-N 372.899 2.742 30 40 FFEB CN(CC(=O)NCCc1cccc2cccnc12)Cc1cccc(C#N)c1 46518450 LCZNOYJOKXHQLQ-UHFFFAOYSA-N 358.445 2.897 30 40 FFEB Cc1nc(C/C(N)=N/OCC(=O)Nc2ccc(F)c(Cl)c2)cs1 54391060 CNFFRGSKKZVIIZ-UHFFFAOYSA-N 356.810 2.714 30 40 FFEB Cc1[nH]c(=O)nc(SCC(=O)N[C@H](C)c2ccccc2Cl)c1C#N 12815477 HBMXFPUTGOEOQO-SECBINFHSA-N 362.842 2.573 30 40 FFEB C=CCNc1nc(C(=O)OCC(=O)c2ccc(OC)cc2OC)cs1 3601522 SWOWDFYUGTWWAI-UHFFFAOYSA-N 362.407 2.798 30 40 FFEB Cc1c(/C=N/NC(=S)Nc2ccccc2)c(=O)n(-c2ccccc2)n1C 6520288 NJCAMQLQKZHGIJ-DEDYPNTBSA-N 365.462 2.805 30 40 FFEB Cc1nc(N(C)CCCc2n[nH]c(N)c2C#N)c2c3c(sc2n1)CCC3 15113742 DRJAJUQDBSBBRF-UHFFFAOYSA-N 367.482 2.734 30 40 FFEB Cc1cccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C#N)c1C 8152943 XLCXAZRJUPIPSY-UHFFFAOYSA-N 350.422 2.684 30 40 FFEB CCc1ccc(-c2n[nH]c(SCC(=O)N(CCC#N)CCC#N)n2)cc1 5179253 PMKSJLJZRQAGPT-UHFFFAOYSA-N 368.466 2.782 30 40 FFEB O=C(O)Cn1/c(=N/N=C\c2ccc([N+](=O)[O-])cc2)sc2ccccc21 5615204 ZOOHPIGIWTWRLC-FYQAFHSJSA-N 356.363 2.630 30 40 FFEB COCCO[C@@H]1CCN(C(=O)C2(C#N)CCCC2)[C@H]1Cc1ccccc1 1565555301 FSUPNRWMMVLHIL-RBUKOAKNSA-N 356.466 2.946 30 40 FFEB Cc1cc(N2C[C@H]3CN(c4nc5c(cc4C#N)CCCC5)C[C@H]3C2)ncn1 585615021 USJCUCJUHKDXRF-HDICACEKSA-N 360.465 2.503 30 40 FFEB N#CCCCN1C(=O)[C@@](O)(CC(=O)c2ccc(F)cc2)c2ccccc21 2341875 KTWIOMBAAGQQQG-HXUWFJFHSA-N 352.365 2.937 30 40 FFEB Cc1cccc(N2CCN(C(=O)c3ccc(NC(=O)CC#N)cc3)CC2)c1 12533748 QKKOXAPLMHXQDY-UHFFFAOYSA-N 362.433 2.810 30 40 FFEB CCN(C1CC1)S(=O)(=O)c1c(C)nn(Cc2ccccc2C#N)c1C 58226911 FATXJMKETZMYCX-UHFFFAOYSA-N 358.467 2.593 30 40 FFEB N#Cc1ccc(N2CCC(NS(=O)(=O)c3cccs3)CC2)c(F)c1 65538758 BBTKHRSTNHOLIS-UHFFFAOYSA-N 365.455 2.706 30 40 FFEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)cc(C)c1 5488870 ZHRHMSXBYWSJRA-MPOGACDISA-N 366.508 2.705 30 40 FFEB C=CCN1C(=O)/C(=N/N=C/c2ccc(OCC(=O)O)cc2)c2ccccc21 6683903 BMHQKNXDMPBDBQ-BRBPWCTISA-N 363.373 2.506 30 40 FFEB C=CCn1c(SCc2cc(O)n[nH]2)nc2sc3c(c2c1=O)CCC3 4911319 UNPOYUZOVFNHJL-UHFFFAOYSA-N 360.464 2.854 30 40 FFEB N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1 7284942 FJMQAQVHMHHIJG-UHFFFAOYSA-N 369.446 2.620 30 40 FFEB CC[C@H](C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)cc1 32504557 AOXKYAADJHMDHQ-ZHFIRJDFSA-N 366.508 2.643 30 40 FFEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cnc(Cl)c(Cl)c1 39587411 DWNPTHPVEICNLM-VFZGTOFNSA-N 358.225 2.988 30 40 FFEB Cc1cccnc1CN1C[C@H](OCc2nc3ccc(C#N)cc3[nH]2)[C@H](F)C1 96112296 SHOBJVLAZQMFGU-BEFAXECRSA-N 365.412 2.877 30 40 FFEB biogenic,in-vitro C#CCCCCCC(=O)N(C)C[C@H](O)CN(C)C(=O)[C@@H](CC)CC(F)F 1775988987 XPKVZFVSHVBGEK-HOTGVXAUSA-N 374.472 2.529 30 40 FFEB CC1CCN(c2oc(-c3ccc(S(=O)(=O)N(C)C)cc3)nc2C#N)CC1 12420998 GIZJPINORHFYTR-UHFFFAOYSA-N 374.466 2.700 30 40 FFEB Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC(=O)O)cc1 20394499 QLJYNKOYLGCXLQ-QGZVFWFLSA-N 351.358 2.658 30 40 FFEB COC(=O)Nc1ccc(CNC(=O)[C@H](C)Oc2ccccc2C#N)cc1 53595900 ABJOSDJDIGZSJF-ZDUSSCGKSA-N 353.378 2.820 30 40 FFEB COc1cccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)c1 1904738 ZYPOMSCGKBLXGQ-UHFFFAOYSA-N 356.403 2.913 30 40 FFEB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(Cl)c(C#N)c1 10514858 CHMJTFJEZAJCBC-UHFFFAOYSA-N 366.782 2.719 30 40 FFEB N#Cc1c(F)cccc1NCCNC(=O)c1cncc(Br)c1 47341185 STTSRUTYLJQRDE-UHFFFAOYSA-N 363.190 2.697 30 40 FFEB C[C@H](NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 12977267 YHYCIALVAREDMP-LSDHHAIUSA-N 361.405 2.784 30 40 FFEB C=CCSc1nnc(NC(=O)c2ccc(N3CCOCC3)cc2)s1 223386092 KPWLRGOCRJUWBV-UHFFFAOYSA-N 362.480 2.905 30 40 FFEB Cc1cncc(CN2CCC[C@@H]2c2c[nH]c(=Nc3ccc(C#N)nc3)cn2)c1 585294387 QNARDFILQCDXEG-HXUWFJFHSA-N 371.448 2.949 30 40 FFEB COC(=O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 5446293 WCIXCOCCCMEJTH-GOSISDBHSA-N 365.385 2.746 30 40 FFEB Cc1cc(-c2nnc(S)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)[nH]n1 13144054 VDCKSZZWECWFSY-GIDUJCDVSA-N 363.790 2.709 30 40 FFEB CC(=O)N1CCc2c(sc(NC(=O)c3ccccc3[N+](=O)[O-])c2C#N)C1 4275212 YUQUAJLFYUBIQZ-UHFFFAOYSA-N 370.390 2.685 30 40 FFEB COc1ccnc(N2CCN(c3ccc(C(F)(F)F)cc3C#N)CC2)n1 78990398 UDSBWERBIBIEAE-UHFFFAOYSA-N 363.343 2.702 30 40 FFEB CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)c1ccccc1 1873586 YGGLNZUXAWIXQH-UHFFFAOYSA-N 351.446 2.811 30 40 FFEB in-vitro C=C[C@@H](C)n1c(=O)c2c(nc3n(-c4ccccc4C)c(C)cn23)n(C)c1=O 13811619 MUDSIYIGGFZYDF-CYBMUJFWSA-N 363.421 2.502 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccncc1 4537360 WBYJONHISVSLCO-GOSISDBHSA-N 366.417 2.923 30 40 FFEB COc1cc(C)ccc1OC/C(O)=N/S(=O)(=O)c1ccccc1F 95352924 OZCBQKXABFIWKS-UHFFFAOYSA-N 353.371 2.867 30 40 FFEB CCN(CC)c1ccc(/C=N/c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c(O)c1 17701470 XKAXTSRMTXCIFR-RGVLZGJSSA-N 352.394 2.519 30 40 FFEB Cc1sc2[nH]c([C@H](C#N)C(=O)Nc3ccccc3F)nc(=O)c2c1C 89562884 OAIAJIQETOXKPO-JTQLQIEISA-N 356.382 2.986 30 40 FFEB C=CCN1CCN([C@@H](c2ccccc2F)c2nnnn2C2CCCC2)CC1 20139117 AVDCIPOIHIYWPD-IBGZPJMESA-N 370.476 2.820 30 40 FFEB C#CCn1c(C)c(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c2ccccc21 409226485 UGFDTNSKZNNKIY-FKYDJDFASA-N 357.413 2.724 30 40 FFEB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)C2(C#N)C#N)cc1 218103860 SAHCEUBHALDEOM-QZTJIDSGSA-N 352.415 2.977 30 40 FFEB N#C[C@@]1(CO)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218506688 PMDUAGOOQXJPRP-IXDOHACOSA-N 365.813 2.921 30 40 FFEB Cc1cc(NCc2ccccc2)nc(NCCN2CCOCC2)c1C#N 71280101 IFYXNQWJTWDSTR-UHFFFAOYSA-N 351.454 2.618 30 40 FFEB CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 103504582 IGUMSVNQTWNVAD-CRAIPNDOSA-N 367.449 2.687 30 40 FFEB N#Cc1oc2ccccc2c1NC(=O)COC(=O)c1n[nH]c2ccccc12 5827413 IZOAELMOPGVBRT-UHFFFAOYSA-N 360.329 2.976 30 40 FFEB C=CCn1c(=O)c2ccccc2n(Cc2nc(-c3cccc(C)c3)no2)c1=O 38652743 XCRHUWVIIHDSFQ-UHFFFAOYSA-N 374.400 2.756 30 40 FFEB C#C[C@@H](Cc1ccccc1)OC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 95444247 NQYROHFVTMTSMW-UXHICEINSA-N 362.429 2.722 30 40 FFEB COC(=O)c1ccc(NC(=S)N/N=C/c2ccc(NC(C)=O)cc2)cc1 6022541 NDAOQCYYKPFXBH-YBFXNURJSA-N 370.434 2.752 30 40 FFEB C=CCN(CC=C)C(=O)COC(=O)c1sc2nc(C)cc(C)c2c1N 10645015 YQKZDQIKFCGTSM-UHFFFAOYSA-N 359.451 2.853 30 40 FFEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1coc2ccc(Cl)cc2c1=O 104450495 SWRGUJZIXKHOAA-LOIDXCDYSA-N 368.776 2.587 30 40 FFEB CCOC(=O)N1CCN(C(=O)Nc2sc3c(c2C#N)CCCC3)CC1 6670067 BHAGKGMVGVWURO-UHFFFAOYSA-N 362.455 2.805 30 40 FFEB C=CCOc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1 16736064 LSYQPRMRKUQSNF-PTNGSMBKSA-N 351.387 2.524 30 40 FFEB Cc1ccc([C@H]2C3=C(Nc4c2c(=O)[nH]c(=O)n4C)c2ccccc2C3=O)cc1 18123024 VSXUDSMJXRZBPV-HNNXBMFYSA-N 371.396 2.547 30 40 FFEB biogenic O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 8740602 QYQSPCDCQWYYEN-MRXNPFEDSA-N 373.792 2.616 30 40 FFEB COc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(C)cc3)C2=O)cc1 408536254 QSPGWBCUNIQKDS-INIZCTEOSA-N 351.362 2.605 30 40 FFEB N#C[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218381851 ZMDWMBXXSXOTSK-ZOBUZTSGSA-N 361.806 2.874 30 40 FFEB C=CCN1C(=O)CCC[C@@]12CCCN(S(=O)(=O)Cc1ccccc1)C2 96229964 WMJHLYLMMCQOIA-IBGZPJMESA-N 362.495 2.550 30 40 FFEB C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccn1 5408875 LLSZTKOMAXZZBA-MEDUHNTESA-N 372.808 2.694 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1cccc(OC)c1 102803931 LXNRLPJGCRFLSO-HVESIFNPSA-N 371.389 2.665 30 40 FFEB N#CCC(=O)Nc1ccc(C(=O)NCCCn2cnc3ccccc32)cc1 12559813 HLHRHQQRTGOLAT-UHFFFAOYSA-N 361.405 2.709 30 40 FFEB O=C1/C(=C/c2cccnc2)Oc2cc(OC(=O)N3CCOCC3)ccc21 5219753 UNTYRDQZMDPDSN-YVLHZVERSA-N 352.346 2.529 30 40 FFEB Cc1ccc2c(c1)[C@](O)(CC(=O)/C=C\c1ccc3c(c1)OCO3)C(=O)N2 4544854 XHAFPHKTWHTOQO-MNKBLEIRSA-N 351.358 2.536 30 40 FFEB CC(=O)N[C@H]1C(=O)N2C(=C(C(C)=O)[C@@H]1c1ccccc1)Nc1ccccc12 9644771 NQDZTIURUQKLDQ-RBUKOAKNSA-N 361.401 2.548 30 40 FFEB N#C[C@@H]1COCCN1CC(=O)Nc1cccc(CSc2ccccn2)c1 76093240 WJQDHMVUUHHOKE-QGZVFWFLSA-N 368.462 2.537 30 40 FFEB Cc1nc(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)oc1C 1263851096 XCCSLPPUEMYGEY-UHFFFAOYSA-N 356.401 2.835 30 40 FFEB O=S(=O)(Cc1ccc(Cl)nc1)/N=C(\O)c1ccc2c(c1)COC2 50206967 ADFGGRZVPCANAO-UHFFFAOYSA-N 352.799 2.600 30 40 FFEB COc1ccc(-c2nnc(S)n2/N=C\c2ccc(C(=O)O)cc2)cc1 2327111 VITSTBJSRAANKA-ZDLGFXPLSA-N 354.391 2.823 30 40 FFEB CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C[C@]12O[C@@H]1[C@H](O)C(CO)=C[C@H]2O 253388189 VBZYLQJSPMDPOO-VGYLXGSLSA-N 362.510 2.967 30 40 FFEB biogenic,in-vitro C=CCn1cc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)c(C)n1 72339797 KETOUXISYSHMJZ-INIZCTEOSA-N 365.485 2.690 30 40 FFEB O/C(=N\c1nnc(N2CCOCC2)s1)c1ccccc1Br 51325991 KILSJARQEOITSP-UHFFFAOYSA-N 369.244 2.774 30 40 FFEB COC(=O)[C@H](Cc1ccc(OC)c([N+](=O)[O-])c1)/N=C/c1ccccc1O 1191853 RYKDXHVZKCKEAY-YRIIZNAFSA-N 358.350 2.512 30 40 FFEB COC(CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(C(C)(C)C)cc1)OC 813458 IIOODUAPEIADPP-QGZVFWFLSA-N 361.438 2.887 30 40 FFEB CN(CCC(F)(F)F)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 58179286 HXNNPLJYLCTWIO-UHFFFAOYSA-N 351.332 2.567 30 40 FFEB Cc1nc2ccccc2nc1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 58215355 LOILPFPOQFYACM-OAQYLSRUSA-N 371.400 2.777 30 40 FFEB C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Br)cc1 4017145 HIEIFLKJPJTTPT-ZDUSSCGKSA-N 351.200 2.806 30 40 FFEB C=CCSc1ccccc1NC(=O)CSc1ncc(C#N)c(N)n1 14094324 VKDWOOVBSYWZFF-UHFFFAOYSA-N 357.464 2.939 30 40 FFEB COc1cccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(C#N)cc3)CC2)c1 8243623 KQBVJSOGUGCZIT-MRXNPFEDSA-N 365.433 2.683 30 40 FFEB CCS[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(CC(=O)O)C(=O)N1C 62716286 RQYUROFHPMZMRM-INIZCTEOSA-N 353.827 2.845 30 40 FFEB N#Cc1ccccc1N=C[C@@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408528483 BJDBAWIBYXLNBK-CQSZACIVSA-N 366.764 2.813 30 40 FFEB C=CCOc1cc(Br)c(/C=N/NC(=S)NCC)cc1OC 33651695 JEANEOHVWXLXPC-RQZCQDPDSA-N 372.288 2.840 30 40 FFEB COCCCC/C(=N\OCCNCCN)c1ccc(C(F)(F)F)cc1 44699519 YBAOCNUGFGRFPC-XQNSMLJCSA-N 361.408 2.791 30 40 FFEB in-vitro C#CCNS(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@H](C)c2ccco2)c1 56182805 IOBVJVGXLPUDOI-CQSZACIVSA-N 372.446 2.557 30 40 FFEB CC1=C/C(=N\OS(=O)(=O)c2ccc(Br)cc2)C=CC1=O 16779861 RBYRGPDJQXKPIK-PTNGSMBKSA-N 356.197 2.596 30 40 FFEB C=CCOc1cccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c1 205873341 LJWUBMKJGFKBQL-FOWTUZBSSA-N 372.446 2.910 30 40 FFEB COc1cnc(OC2CCN(c3nc4ccccc4cc3C#N)CC2)nc1 1889191887 OELZKCZQQMQPCA-UHFFFAOYSA-N 361.405 2.953 30 40 FFEB O=C1C[N+]2(CCOCC2)C[C@@H](Cn2c3ccccc3c3ccccc32)O1 211070318 VOCBAYBWFWEXOY-MRXNPFEDSA-N 351.426 2.567 30 40 FFEB CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1COc2ccccc2O1 32654934 LQQSTWNDRYHDMF-OAHLLOKOSA-N 371.824 2.922 30 40 FFEB O=S(=O)(/N=C(O)/C=C/c1cc(Cl)c2c(c1)OCO2)c1cccnc1 42321952 KEVICRFVTDIXMG-ONEGZZNKSA-N 366.782 2.822 30 40 FFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2c(c1)NC(=O)CO2 24104831 QFBYNFYLGZPBMW-UHFFFAOYSA-N 362.345 2.834 30 40 FFEB Cc1c(CN[C@H](C)CCN2CCN(c3ccccc3)CC2)cc(C#N)n1C 58007722 NULUEPMTNLYVHI-GOSISDBHSA-N 365.525 2.896 30 40 FFEB CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Oc1ccccc1C#N 11400153 FDXZEBYBKQWTCS-OAHLLOKOSA-N 365.433 2.985 30 40 FFEB C[S@@](=O)[C@H]1CCCC[C@]1(O)CSc1nc2c(cc1C#N)CCCC2 5353535 FWTFALTUGIYPJQ-KEWLPNKHSA-N 364.536 2.976 30 40 FFEB C#CCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 8769701 AHQVRHGYGAUEMV-UHFFFAOYSA-N 357.753 2.864 30 40 FFEB CC1=NN(C(=O)COc2ccccc2C#N)[C@@](O)(c2ccc(F)cc2)C1 408564186 VXWQWGSGZOEVKB-IBGZPJMESA-N 353.353 2.530 30 40 FFEB CCOC(=O)[C@]1(C#N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218370051 ICDOBAHSDXGFIS-ZIFCJYIRSA-N 373.405 2.838 30 40 FFEB CC1CCC(NC(=O)CO/N=C/C(=O)Nc2ccc(F)cc2F)CC1 40156689 CJUWKDHUBZSHEA-AWQFTUOYSA-N 353.369 2.601 30 40 FFEB N#Cc1ccc(NC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)cc1Cl 15532772 WIPVMGVRVCGZBL-UHFFFAOYSA-N 374.828 2.795 30 40 FFEB COC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(OC)c1OC)C2=O 2154957 JMPXZACWRXRMJC-MFOYZWKCSA-N 370.357 2.872 30 40 FFEB biogenic N/C(=N/OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(Cl)c1 50514123 ZAROEGCROROEMI-UHFFFAOYSA-N 363.757 2.952 30 40 FFEB Cc1cc([C@H]2CCCN2C(=O)C2CCN(c3ccc(C#N)cn3)CC2)on1 48248706 YAYOEGQUSXSDPH-QGZVFWFLSA-N 365.437 2.830 30 40 FFEB C[C@@H]1C[C@H]2[C@@H]3CC[C@]4(OCC4=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 118936686 DASNFNKDVQBNIO-ZXROEPFJSA-N 356.462 2.849 30 40 FFEB Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccccc3C(=O)O)c2)c1 14139662 QLPJTDWFTXUYJT-UHFFFAOYSA-N 374.352 2.652 30 40 FFEB C#CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(CC)cc2)C1=O 408800626 OBABERHAKFFYIS-NBVRZTHBSA-N 374.396 2.927 30 40 FFEB N#Cc1cc(F)cc(C(=O)N2CCO[C@]3(CCCC[C@H]3N3CCCC3)C2)c1 306141867 WIQXGDOQVJCVFJ-TZIWHRDSSA-N 371.456 2.947 30 40 FFEB CCOC(=O)Cn1c(C)c(/C=N/n2cnnc2SC)c2ccccc21 408815249 UTRUIQZBCUJCCV-DJKKODMXSA-N 357.439 2.708 30 40 FFEB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(CC#N)cc3)ccc21 225688856 ANXIIVJNHBBBRP-UHFFFAOYSA-N 373.459 2.950 30 40 FFEB CCCCn1c(SC/C(O)=N/c2ncn[nH]2)nc2ccccc2c1=O 33175324 DGKVRLBEHVWCKV-UHFFFAOYSA-N 358.427 2.695 30 40 FFEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCOCC3)C2=O)cc1 22625775 GMIPTKQFYWYTKC-UNOMPAQXSA-N 367.401 2.849 30 40 FFEB C#CCN(C(=O)c1ccc2c(=O)n(C)c(S)nc2c1)C1CCCCC1 103958635 AGTSGKOOXORFMV-UHFFFAOYSA-N 355.463 2.630 30 40 FFEB C=CCN(C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)[C@@H]1CCS(=O)(=O)C1 58264498 YPMFQBFYNYPHIT-OAHLLOKOSA-N 372.490 2.862 30 40 FFEB N#Cc1ccc(S(=O)(=O)/N=C(\O)[C@H]2C[C@H]2c2cccc(C#N)c2)cc1 83146656 UODQWJCFTMNEFS-IRXDYDNUSA-N 351.387 2.879 30 40 FFEB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)COc1ccc(C#N)cc1 6277929 KLVASSAVXXGDHI-UHFFFAOYSA-N 373.359 2.702 30 40 FFEB N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)COc2ccc(F)cc2)CC1 14162667 LZABTTNWIHFZJA-LJQANCHMSA-N 371.387 2.753 30 40 FFEB COCc1cc(C)nc(SCC(=O)Nc2cccc(C(=O)O)c2)c1C#N 4932008 JTCCWHWVQSTZTA-UHFFFAOYSA-N 371.418 2.837 30 40 FFEB N#Cc1ccc(S(=O)(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1 8059751 FHZVILQROHXINT-HNNXBMFYSA-N 362.476 2.990 30 40 FFEB N#Cc1c(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)sc2c1CCC2 95948621 YDASLYCCMUOXTK-GFCCVEGCSA-N 353.451 2.754 30 40 FFEB CC(C)CCC(=O)N1C[C@@H]2OC[C@H](CCOc3ccc(C#N)cn3)[C@@H]2C1 575406681 QKKYJFFEIXRDNC-BZSNNMDCSA-N 357.454 2.632 30 40 FFEB CN1CCc2nc(SCC(=O)Nc3ccccc3F)c(C#N)cc2C1 19683179 JSHZFPOGFZLOMI-UHFFFAOYSA-N 356.426 2.811 30 40 FFEB N#Cc1cccnc1N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1 1889149313 NSPORWYWPHXLBX-UHFFFAOYSA-N 358.405 2.853 30 40 FFEB CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1F 40138955 SMUQIUCPXXNJSY-UHFFFAOYSA-N 354.429 2.971 30 40 FFEB COc1ccc(Br)cc1[C@@H]1C(C(C)=O)=C(C)Nc2ncnn21 959028 PSNBHQNLLGNKPJ-CQSZACIVSA-N 363.215 2.927 30 40 FFEB N#CC1(C(=O)OCc2cc(=O)n3c4c(sc3n2)CCCC4)CCCC1 24746683 HODZTLRJKBOWST-UHFFFAOYSA-N 357.435 2.762 30 40 FFEB COC(=O)c1cccc(S(=O)(=O)/N=C(\O)[C@@H](OC)c2ccccc2)c1 58189020 PNTUJVQPOKCNMC-HNNXBMFYSA-N 363.391 2.506 30 40 FFEB N#Cc1ccc(OCC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 58283341 ULEUVXYKPRUNGH-HNNXBMFYSA-N 371.387 2.858 30 40 FFEB O=C(C[C@H]1S/C(=N\CCc2ccccc2)NC1=O)NCc1ccccc1 21133442 NMXFPANNIPEGNS-QGZVFWFLSA-N 367.474 2.523 30 40 FFEB CN1CCN(/N=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 7930224 HCHJXZIJJVBFCL-HZHRSRAPSA-N 360.465 2.575 30 40 FFEB N#Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 8246052 OCVROSYSDIMBGY-MRXNPFEDSA-N 351.381 2.727 30 40 FFEB N#Cc1c(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)sc2c1CCC2 69610410 FSFJGJVLISXJBT-NSHDSACASA-N 355.419 2.689 30 40 FFEB Cc1ccc(N(CCC#N)S(=O)(=O)c2cc(C(=O)O)ccc2F)cc1 72703735 AVRGKMVNQSUFDT-UHFFFAOYSA-N 362.382 2.941 30 40 FFEB COc1ccc(OC)c([C@@H]2/C(=C(/C)O)C(=O)C(=O)N2Cc2cccnc2)c1 1772492256 KXXLFTLXQBQSQT-XCMFGDQWSA-N 368.389 2.583 30 40 FFEB CCN(CC)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)c1ccsc1 30435325 QKUASPGJOHPXKX-QGZVFWFLSA-N 363.508 2.981 30 40 FFEB O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(CCO)[C@@H]1c1cccc(F)c1 847019 HTBKEUPRVNJJFR-JBVUFVISSA-N 367.376 2.796 30 40 FFEB COc1ccc([N+](=O)[O-])cc1/C=N/N=C/c1cc([N+](=O)[O-])ccc1OC 2102586 UJMTXYZDFNJJLF-BEQMOXJMSA-N 358.310 2.973 30 40 FFEB COCc1ccc([C@@H]2CCCN2C(=O)C#Cc2ccc3c(c2)OCO3)o1 97147917 JEPSSCPZQGHBMA-INIZCTEOSA-N 353.374 2.870 30 40 FFEB CCCOc1cccc(C(=O)N2CCN(c3ccc(N)cc3C#N)CC2)c1 70462132 LDWLWDGDCZCULD-UHFFFAOYSA-N 364.449 2.892 30 40 FFEB Cn1cc(CC(=O)NCC#CCN2CCc3ccccc3C2)c2ccccc21 75164982 ATPSLLFLFSJVHP-UHFFFAOYSA-N 371.484 2.899 30 40 FFEB Cc1ccc2[nH]c3c(=O)n(/N=C/c4cccc([N+](=O)[O-])c4)c(O)nc3c2c1 17028340 GBZSQDOQIUKUQY-DJKKODMXSA-N 363.333 2.682 30 40 FFEB Cc1ccc(S(=O)(=O)N2CCCN(c3cccc(F)c3C#N)CC2)cc1 30763569 HTPQVFRHNDLLCH-UHFFFAOYSA-N 373.453 2.907 30 40 FFEB CN1C(=O)C(C)(C)c2cc(S(=O)(=O)Nc3ccc(C#N)cc3)ccc21 57280252 UFGBAWUPYBEIAU-UHFFFAOYSA-N 355.419 2.613 30 40 FFEB Cc1csc(N2CCCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)n1 58194033 DQDMSMNCXUFZMO-UHFFFAOYSA-N 369.494 2.864 30 40 FFEB CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)OCC(F)(F)C(F)F)s1 84651716 BKJCKGJKSJCIGF-LURJTMIESA-N 363.354 2.551 30 40 FFEB O=C1CS/C(=N/S(=O)(=O)c2ccc(F)cc2)N1c1ccccc1 100972698 BQVMCPXLORNDBG-BMRADRMJSA-N 350.396 2.650 30 40 FFEB Cc1ccc(-c2c(C#N)c(N)nc3nc(N4CCCCC4)[nH]c(=O)c23)cc1 22607262 KIDMCRVECNEBRV-UHFFFAOYSA-N 360.421 2.738 30 40 FFEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccncc2)[C@H]1c1cccs1 6419205 QSRYXDXMXTZHQK-IBOXJLQUSA-N 371.462 2.517 30 40 FFEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CCOc2ccccc2F)C1=O 14242299 DIQKRDJWKXYUQC-IBGZPJMESA-N 353.353 2.543 30 40 FFEB N#CCCNS(=O)(=O)c1ccc(C(=O)OCC2CCCCC2)cc1 5088417 WPWVQXMGJNOJCC-UHFFFAOYSA-N 350.440 2.616 30 40 FFEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)C)cc1 5265766 ZRZODZDQTRQKGZ-PLDZJGDPSA-N 366.508 2.821 30 40 FFEB COc1ccccc1OCCn1cc(/C=N/NC(N)=S)c2ccccc21 13496636 OLMKWJQFUHZPDW-CIAFOILYSA-N 368.462 2.896 30 40 FFEB CC(=O)c1ccc(S(=O)(=O)/N=C(\O)c2scnc2C2CC2)cc1 89963913 PLTHICBSYHSJJU-UHFFFAOYSA-N 350.421 2.917 30 40 FFEB CC1=C2[C@H]3OC(=O)[C@@H](CN4C[C@H](C)O[C@@H](C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O 36493790 GDXMPYQBACNJOM-CSJUTHJNSA-N 359.466 2.509 30 40 FFEB CN(C)c1ccc(/C=N\NC(=S)N/N=C\c2ccc(N(C)C)cc2)cc1 98064097 MBUQGKAMDXBKEA-NMGXZBPKSA-N 368.510 2.651 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(C)cc2)cc1OC 5409110 IXCPCWAAFZMDSV-KRWDZBQOSA-N 353.374 2.878 30 40 FFEB COC(=O)c1ccc(/C=N/NS(=O)(=O)c2ccc3ccccc3c2)cc1 4505801 LBYWLEHAMUPNJQ-DEDYPNTBSA-N 368.414 2.939 30 40 FFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](C(F)(F)F)C1 10288244 FVKMFXJNYRBNBO-LBPRGKRZSA-N 355.360 2.597 30 40 FFEB COc1cccc2cc(C(=O)NC(C)=O)/c(=N/c3cccc(C#N)c3)oc12 4507792 DTUCFSYVUJEQDA-ATJXCDBQSA-N 361.357 2.822 30 40 FFEB Cc1nc2ccccc2nc1N1CC[C@H]2CN(c3ccc(C#N)cn3)C[C@@H]21 2086889689 NTAZUSAJIVGZAI-LPHOPBHVSA-N 356.433 2.920 30 40 FFEB Cc1ccc(S(=O)(=O)/N=C2/C=CC(=O)c3ccccc32)cc1[N+](=O)[O-] 103720728 QPYWVGNCMFANMX-SDXDJHTJSA-N 356.359 2.834 30 40 FFEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1cccc(OC)c1 4944615 ARAVYJBXMTZTRE-CYBMUJFWSA-N 357.435 2.541 30 40 FFEB C=CCOC(=O)c1c(N)n(C[C@@H]2CCCO2)c2nc3ccccc3nc12 2248547 RJEYCFOEOVNBRY-LBPRGKRZSA-N 352.394 2.689 30 40 FFEB CCOc1ccc(/C=N/O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 3412310 QCNPGVAZQFRHMP-LVCXCXRVSA-N 370.405 2.869 30 40 FFEB COc1cc(C)c(CN(C)C[C@H](O)COc2ccc(C#N)cc2)cc1OC 9375937 WRWPSDZKDVPDKB-SFHVURJKSA-N 370.449 2.756 30 40 FFEB COc1ccc(S(=O)(=O)/N=C(\O)c2c(C)oc(C)c2C)cc1OC 48492372 FIJYVRSDXVTAPG-UHFFFAOYSA-N 353.396 2.916 30 40 FFEB COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(C#N)cc3)CC2)cc1 57369670 RHPSZWXWYZVEGR-INIZCTEOSA-N 364.449 2.716 30 40 FFEB COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC#N)cc(OC)c1OC 15022864 DTQHIYZOPBPETJ-MOXGXCLJSA-N 360.454 2.904 30 40 FFEB biogenic N#Cc1ccccc1NC(=O)CCn1nc(-c2ccc(F)cc2)oc1=O 32871275 SWDMFISQZBKDAI-UHFFFAOYSA-N 352.325 2.543 30 40 FFEB N#CC1(NC(=O)CN2CCCN(Cc3ccc(Cl)cc3)CC2)CCCC1 23009169 MYDKUDAKEWLPFK-UHFFFAOYSA-N 374.916 2.800 30 40 FFEB N#Cc1ccc([C@@H]2C([N+](=O)[O-])=C(N)Oc3c2c(=O)oc2ccccc32)cc1 1070316 ZKMSGLLJUTYOPH-AWEZNQCLSA-N 361.313 2.593 30 40 FFEB Cc1cccc(N2/C(=N\C(=O)CC(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c1 101312462 NOCJXLYVJCCLQX-YTRIFDNDSA-N 366.508 2.643 30 40 FFEB C=CCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 20765559 ODZCCRPPABVYGS-UHFFFAOYSA-N 356.447 2.744 30 40 FFEB C=CCNc1nc2ccccn2c(=O)c1/C=C1\SC(=O)N(CCC)C1=O 3640263 WHOSUOJCBCIWAU-QBFSEMIESA-N 370.434 2.739 30 40 FFEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccco1 5445172 IGXXFLBLZNMKGM-HVESIFNPSA-N 354.406 2.653 30 40 FFEB CC(=O)Nc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)cc1 15085089 DDYOIGHNQGSRTK-QGZVFWFLSA-N 351.410 2.895 30 40 FFEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)NCCC1=CCCCC1 408708521 JLJYYVADNXCKME-UHFFFAOYSA-N 355.438 2.548 30 40 FFEB CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 95915239 CKUCNCSPEPZPDZ-WPIBOPBSSA-N 366.508 2.724 30 40 FFEB O=C1C(=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)c2ccccc21 5590017 XRQMXZWAIVPYCO-UHFFFAOYSA-N 364.357 2.894 30 40 FFEB COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C[C@H](C)O)cc1 5800241 HTPPNAZXDXYEOT-UGSOOPFHSA-N 367.401 2.654 30 40 FFEB COc1ccc([C@@H]2c3c(nn(-c4ccccc4)c3O)NC(=O)[C@@H]2C#N)cc1 14163238 KDLLVZOUPLAZGN-CVEARBPZSA-N 360.373 2.810 30 40 FFEB CCCOC1(NS(=O)(=O)c2ccc(F)cc2)C(C)=CC(=O)C=C1C 16807603 LGTKJLQBMFPJLR-UHFFFAOYSA-N 353.415 2.702 30 40 FFEB CC/N=C1/S[C@H](CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])C(=O)N1CC 16809817 VZFTULQVARPGJQ-PHODEOQFSA-N 364.427 2.572 30 40 FFEB CC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N\Cc3ccco3)NC2=O)cc1 21224291 IQBCHVSZAGRMJU-OAHLLOKOSA-N 371.418 2.599 30 40 FFEB N#Cc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 23486740 MZBLVTITSLGBSZ-UHFFFAOYSA-N 360.339 2.934 30 40 FFEB C#CCN1CCCC[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 58420893 PFSLGUCLDZOBSE-LPHOPBHVSA-N 359.901 2.770 30 40 FFEB C=CCCO[C@@H](C)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 60307020 AFNZMXVBONEXRS-HNNXBMFYSA-N 362.495 2.724 30 40 FFEB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CNCc1ccncc1 12664318 GSJFJISMQUTKQT-WHHPXKAQSA-N 356.466 2.698 30 40 FFEB biogenic CC[C@@]1(C)NC(=O)N(/N=C/c2cc(Br)ccc2OC)C1=O 3308360 YJAHJWIHPNWGPT-UVYNJXETSA-N 354.204 2.512 30 40 FFEB Cc1ccc(C)c(-n2c(=O)c(C#N)cc3c(=O)n4cccc(C)c4nc32)c1 6809451 SJMGHMUQLFWGSS-UHFFFAOYSA-N 356.385 2.796 30 40 FFEB C=CCNc1nc(C(=O)OCC(=O)N[C@@H](C)c2ccc(F)cc2)cs1 7699058 JQRLGSAKDDSLAI-NSHDSACASA-N 363.414 2.914 30 40 FFEB C=CCN1CC[C@@]2(CN(Cc3cccnc3)C[C@@H]2c2nccs2)C1=O 306142880 XNDUIVNRQKODCG-APWZRJJASA-N 354.479 2.542 30 40 FFEB CC(C)Oc1cc(N(C)C)ccc1C=Nn1c(O)nc2ccccc2c1=O 409361895 QZYQDASNUNKYJO-UHFFFAOYSA-N 366.421 2.838 30 40 FFEB Cc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3cccc([N+](=O)[O-])c3)C2=O)cc1 408536210 QIXKCKLLWRSEEJ-OAHLLOKOSA-N 366.333 2.505 30 40 FFEB Cc1nnc(N2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)c(C#N)c1C 685940684 REGPHZAHLZSGPJ-LIRRHRJNSA-N 350.426 2.784 30 40 FFEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc3ccccc3n2)CC1 46623472 DGKPWEWVCALXKJ-UHFFFAOYSA-N 373.416 2.934 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(F)cc2)cc1OC 5408807 YIMNTXXYUHWJOM-INIZCTEOSA-N 357.337 2.709 30 40 FFEB Cn1c(Cc2ccccc2)c(C(=O)/C=C/c2ccccc2)c(=O)n(C)c1=O 17128475 MTVARCZPJJPNRA-BUHFOSPRSA-N 360.413 2.571 30 40 FFEB CN(C)c1ccc(C(=O)N2CCC[C@H](COc3cc(C#N)ccn3)C2)cc1 1775971824 NZUGDHQDCNXAFV-KRWDZBQOSA-N 364.449 2.950 30 40 FFEB C=CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2CC)c1=O 51316031 XLUOOSKJRQABRD-UHFFFAOYSA-N 363.417 2.550 30 40 FFEB C[C@H](OC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)Nc1sccc1C#N 32841155 ABOYGKPHZHTRKI-JTQLQIEISA-N 369.402 2.688 30 40 FFEB O=C1C(=O)N(CCO)[C@@H](c2ccccc2)/C1=C(\O)c1ccc(Cl)cc1 102866228 UNDSGSNUVKTHLR-UYTDBDHRSA-N 357.793 2.754 30 40 FFEB CS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(C#N)c3)sc2c1 3518801 SQBVOCLMMHQEQV-UHFFFAOYSA-N 357.416 2.824 30 40 FFEB Cc1cc(C)c(C#N)c(SC[C@H](O)C[S@](=O)Cc2ccccc2)n1 5587726 DJVXXVHSURCWCV-FYSMJZIKSA-N 360.504 2.972 30 40 FFEB C/C(O)=N/c1cccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 5665611 RZJFCXUVRKIWHH-UHFFFAOYSA-N 361.379 2.540 30 40 FFEB N#Cc1ccc(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)nc1 1888856588 CKAAGOAYUDTCSX-UHFFFAOYSA-N 356.380 2.885 30 40 FFEB C#Cc1cccc(NC(=O)CS[C@H]2CC(=O)N(c3ccccc3)C2=O)c1 40040653 BPPYPHUWOCLRQP-KRWDZBQOSA-N 364.426 2.672 30 40 FFEB COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 841931 CYIVTFANSFLSMR-HNNXBMFYSA-N 357.406 2.796 30 40 FFEB O=C(CCCCC(=O)OC[C@@H]1CC[C@@H]2O[C@@H]2C1)OC[C@H]1CC[C@@H]2O[C@@H]2C1 25723231 DJUWPHRCMMMSCV-YPLQCARHSA-N 366.454 2.768 30 40 FFEB COCCNC(=S)N/N=C/C1=Cc2cc(Cl)cc(Cl)c2OC1 36843778 YRAWEEXVNGAGHP-CNHKJKLMSA-N 360.266 2.866 30 40 FFEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccnc1 19927876 FNJLTWKSCXTBEN-SFHVURJKSA-N 365.433 2.612 30 40 FFEB C[C@H](Nc1ccc(N2CCOCC2)cc1)C(=O)NC1(C#N)CCCCC1 7738621 MJHQDHMMCGFCJA-INIZCTEOSA-N 356.470 2.666 30 40 FFEB C=CCn1c(SCC(=O)CC(=O)OCC)nc2sc(C)cc2c1=O 5017301 GPPGINJQLBIJIA-UHFFFAOYSA-N 366.464 2.567 30 40 FFEB Cc1cc(C)c(C#N)c(SC[C@@H](O)C[S@](=O)Cc2ccccc2)n1 5587730 DJVXXVHSURCWCV-GYCJOSAFSA-N 360.504 2.972 30 40 FFEB COc1ccccc1-c1n[nH]c(/N=C(\O)CCNC(=O)C2CCCC2)n1 40154210 QXPFUJWECUHSCS-UHFFFAOYSA-N 357.414 2.765 30 40 FFEB O=S(=O)(/N=C(\O)c1ccnc(Cl)c1)c1ccc2c(c1)OCCCO2 54427127 OZIVUJNDUZQUDP-UHFFFAOYSA-N 368.798 2.590 30 40 FFEB N#CCCN1C(=O)[C@@]2(CCC#N)CCCC[C@@]2(O)N=C1c1ccccc1 1611223 QVFHXGFEIQBMLG-PMACEKPBSA-N 350.422 2.742 30 40 FFEB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1sccc1C#N)C2=O 9387696 ZJYWPHDRFZRSMO-ZMZPIMSZSA-N 374.466 2.695 30 40 FFEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cccnc1SC(F)F 11270939 MXKUBMILCXZDGV-MGPLVRAMSA-N 371.409 2.996 30 40 FFEB COC(=O)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccccc1 12875958 GOQCAEBNTIRUMB-RDTXWAMCSA-N 352.390 2.746 30 40 FFEB Cc1cc(C)c(C#N)c(SCC(=O)NC[C@H]2COc3ccccc3O2)n1 6983507 MRTIPHCGYMEKIT-AWEZNQCLSA-N 369.446 2.618 30 40 FFEB O=C(O)CN1C2=C(C(=O)CCC2)C(c2ccccc2O)C2=C1CCCC2=O 409047536 URNKAYNYEBDRPG-UHFFFAOYSA-N 367.401 2.890 30 40 FFEB CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1cc2c(cc1[N+](=O)[O-])OCO2 12639626 GQXOVVQQQXKAKP-KNTRCKAVSA-N 367.321 2.514 30 40 FFEB Cc1ccc(NC(=O)[C@H]2CC(=O)N=C(N/N=C\c3ccco3)S2)cc1 13142458 DNLLHOPMMOFRON-FNHQQPGVSA-N 356.407 2.538 30 40 FFEB N#Cc1ccc(CS(=O)(=O)CC(=O)NC2(c3ccccc3)CCC2)cc1 40132009 GXEYFFQDPWVEEJ-UHFFFAOYSA-N 368.458 2.669 30 40 FFEB CCS(=O)(=O)c1ccc(/C=C/C=N\NC(=S)NCC(C)C)cc1 8652303 GAJGXBYKZDADFJ-CJCPEHGCSA-N 353.513 2.599 30 40 FFEB N#CCc1ccccc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3301248 MGINSLAUKBVUGB-UHFFFAOYSA-N 354.318 2.884 30 40 FFEB CCNC(=S)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 8681025 IHWZSOPQKAKEDH-CIAFOILYSA-N 370.478 2.830 30 40 FFEB C=CCOc1c(/C=C2/SC(=S)N(CC(=O)O)C2=O)cccc1OC 408535258 VNRFXUWSDHGIPQ-XYOKQWHBSA-N 365.432 2.546 30 40 FFEB O=C1CCCN1c1cccc(/C(O)=N/S(=O)(=O)c2ccc(F)cc2)c1 48454037 WWCCHIPCTMIAMI-UHFFFAOYSA-N 362.382 2.646 30 40 FFEB NC1=N/C(=N\N=c2\[nH]c(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc21 16806052 OXWCUTBQKHKZBC-UHFFFAOYSA-N 364.390 2.633 30 40 FFEB C=CCOc1ccc(C(=O)N2CC[C@H]3CN(C(C)C)CCO[C@H]3C2)cc1 1565545302 CWBXZUWNCSEBPU-ICSRJNTNSA-N 358.482 2.823 30 40 FFEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(O)cc1 103960861 LEXCUALCSLRXQM-SELCWUDQSA-N 367.401 2.850 30 40 FFEB N#Cc1c(SCC(=O)NCc2ccccc2)sc2c(O)cc(=O)[nH]c12 4945424 QICLUUMWIYBBRN-UHFFFAOYSA-N 371.443 2.575 30 40 FFEB CC1(C)Cc2c(sc(NC(=O)CCCN3CCOCC3)c2C#N)CO1 57434700 HDKDQKLPSVUZKI-UHFFFAOYSA-N 363.483 2.522 30 40 FFEB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccc(C#N)cc1)C2=O 3321664 FIUOZIPVILHHIR-RBZFPXEDSA-N 368.437 2.634 30 40 FFEB COC(=O)C1=C(C)N(c2cc(C)on2)C(=O)N[C@H]1c1cccc(C#N)c1 12974387 XXFIINDEKOFBQB-INIZCTEOSA-N 352.350 2.573 30 40 FFEB C#CC[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 89261551 SYYHVGAURTVSNC-SFHVURJKSA-N 354.431 2.614 30 40 FFEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 409180013 UIPIMCFWZIABEQ-MNRSNJDWSA-N 359.769 2.779 30 40 FFEB COc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3ccccc3Cl)C2=O)c1 408528421 BEHHKURUZWFYST-ZDUSSCGKSA-N 371.780 2.950 30 40 FFEB CCOc1ccccc1/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 408743064 ZCJIIMIRDWVWPW-PVGUKEHMSA-N 367.430 2.852 30 40 FFEB N#C[C@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 218599639 FNNGALRYOOUWSV-HRCADAONSA-N 350.802 2.640 30 40 FFEB CC(C)c1cc(C(=O)Nc2ccc(C#N)cc2)nc(N2CCOCC2)n1 96100960 PVWZVTHZFVSQHR-UHFFFAOYSA-N 351.410 2.561 30 40 FFEB CC(C)(C)OC(=O)N1CCn2nc(NC(=O)c3cc(C#N)cs3)cc2C1 1134415287 XDZLXXTYFIDRJC-UHFFFAOYSA-N 373.438 2.819 30 40 FFEB Cc1nnc(N2CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)c(C#N)c1C 57140799 ZGTMFSCJCHAYHX-OAHLLOKOSA-N 363.465 2.808 30 40 FFEB COc1cc(/C=N\n2cnnc2)c([N+](=O)[O-])cc1OCc1ccccc1 14137645 YDFBCSIKOMQBHT-UKWGHVSLSA-N 353.338 2.656 30 40 FFEB CCOc1cc(/C=N/NC(N)=S)ccc1OC(=O)c1ccc(C)cc1 658099 WQIDBJFOQQUTKC-RGVLZGJSSA-N 357.435 2.780 30 40 FFEB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1C(=O)C=CC(=O)[C@@H]12 1727592 DCGCFQBJRLWZID-IVQVNHIISA-N 372.031 2.588 30 40 FFEB COc1ccc(CN(C)C[C@H](O)COc2ccc(CC#N)cc2)cc1F 25867683 HHPMXTMXEVCQKA-KRWDZBQOSA-N 358.413 2.772 30 40 FFEB C/C(=N\NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C)o1 5603920 SNVBSPWDZNXMIF-OQLLNIDSSA-N 357.775 2.852 30 40 FFEB O=C(CCc1ccccc1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 15887151 QZIQIJWPGDYWGZ-UHFFFAOYSA-N 371.462 2.729 30 40 FFEB COCCN1CCN(C(=O)C[C@@H]2C[C@@H](C(C)C)[C@H](CC#N)C=C2C)CC1 30882427 DNZNJDLGPRZWOO-AABGKKOBSA-N 361.530 2.935 30 40 FFEB biogenic,in-vitro C[C@H](/N=C(/O)N1CC[C@](F)(CO)C1)c1ccc(OCC2CC2)c(F)c1 328704479 OVENNIVMKOQXHB-KPZWWZAWSA-N 354.397 2.996 30 40 FFEB C=CCSc1nnc(NS(=O)(=O)c2cc(F)ccc2OC)s1 223671089 YWFNLEQCQRMMSO-UHFFFAOYSA-N 361.445 2.765 30 40 FFEB COc1cc(C=N/N=C2\C(=O)Nc3ccc(Br)cc32)ccc1O 254870019 QZTFUCVKAFQMLQ-UHFFFAOYSA-N 374.194 2.939 30 40 FFEB COC(=O)c1cc(C#N)c(=O)n(CC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1 37207229 AMEKPINLECEOCZ-RRQGHBQHSA-N 374.437 2.511 30 40 FFEB COCc1cc(C)nc(N/N=C/Cc2ccc(C(=O)OC)cc2)c1C#N 4046416 ZYJMNANYCBKROO-ZVBGSRNCSA-N 352.394 2.835 30 40 FFEB CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(N(C)C)cc1 870975 ULAKIRYGFYPIRC-SFHVURJKSA-N 351.406 2.632 30 40 FFEB N#C[C@H](C(=O)NC1CC1)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 102145075 FVVQPWMLYKGVPL-INIZCTEOSA-N 362.433 2.878 30 40 FFEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccccc1OC 4944616 OGDQBERFLVYDLD-LBPRGKRZSA-N 357.435 2.541 30 40 FFEB CCN1C(=O)C(=NNc2ccc(SC(F)F)cc2)C(=O)N(CC)C1=O 103464450 VZJOPEPERVNMNA-UHFFFAOYSA-N 370.381 2.600 30 40 FFEB O=C(/N=C1\NCCS1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 46115263 LNAUVTBTRQFYDX-LBPRGKRZSA-N 372.277 2.817 30 40 FFEB Cc1nnc(NCCCc2nn(-c3ccccc3)c(N)c2C#N)c(C#N)c1C 47461110 NGQVJIPVOMYJCX-UHFFFAOYSA-N 372.436 2.649 30 40 FFEB O=S(=O)(/N=C(\O)COc1ccc(C(F)(F)F)cc1)c1cccnc1 48532567 SMQWAUATMQQIKX-UHFFFAOYSA-N 360.313 2.825 30 40 FFEB N#Cc1cccc(NC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)c1 12914641 OOLZMPSBZLQHON-UHFFFAOYSA-N 355.316 2.908 30 40 FFEB COC(=O)c1sc(NC(=O)c2ccc3c(c2)OCCO3)c(C#N)c1C 4537733 XOXKFOCXSQMHHE-UHFFFAOYSA-N 358.375 2.738 30 40 FFEB C=CCNC(=O)[C@@H](C)OC(=O)c1cc(Cl)c(OC(C)C)c(OC)c1 7480003 PXPYZTDWAUKYJH-LLVKDONJSA-N 355.818 2.983 30 40 FFEB CC(=O)Oc1ccc(Cl)cc1C=Nn1c(O)nc2ccccc2c1=O 409357617 JNRZVTGBRZOEDS-UHFFFAOYSA-N 357.753 2.563 30 40 FFEB N#C[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 218607563 YSUXMOJVPFRMHW-JYJNAYRXSA-N 350.802 2.640 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)N1/N=C/c1cccc(Br)c1 169690747 VOZDCUJQJWMUDR-NHAMYYISSA-N 359.223 2.980 30 40 FFEB CCNC(=S)N/N=C/c1cc(Cl)c(OC)c(Br)c1 6205736 PJKYZQDXZDVKCX-GIDUJCDVSA-N 350.669 2.929 30 40 FFEB C#CCN1CCN(Cn2ncc3c(OCc4ccccc4)cccc32)CC1 78876024 FAURXGYLNRKXOJ-UHFFFAOYSA-N 360.461 2.824 30 40 FFEB N#CC1(NC(=O)CNc2ccc(Cl)cc2C(=O)N2CCCC2)CCCC1 55866782 ZDNHVZXKWLMYSD-UHFFFAOYSA-N 374.872 2.940 30 40 FFEB CCOc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C)C#N)cc3C2=O)cc1 3471378 KEZKGCAJJOFQDQ-LBPRGKRZSA-N 364.357 2.955 30 40 FFEB C[C@@H]1CCCCN1C(=O)CO/N=C(\N)c1cc(Br)cs1 48640094 SZQMKMDYFIONOH-SECBINFHSA-N 360.277 2.549 30 40 FFEB C[C@@H](Sc1nnnn1Cc1ccccc1)C(=O)NC1(C#N)CCCCC1 16447730 YFHYHMPRCHEAOD-CQSZACIVSA-N 370.482 2.545 30 40 FFEB COCCOCC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 72029106 IUZAYSGTMMYFRK-UHFFFAOYSA-N 356.397 2.889 30 40 FFEB O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1/N=C/c1cccc(Br)c1 409181869 GFXDIRIUGLNLIP-RUSKEJFESA-N 371.234 2.836 30 40 FFEB CN(C)c1oc(-c2ccc(S(=O)(=O)N(C)c3ccccc3)o2)nc1C#N 71286184 VWRJANMXMCNMPW-UHFFFAOYSA-N 372.406 2.697 30 40 FFEB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1cccc(Br)c1 3117806 VOZDCUJQJWMUDR-DRGSZDLRSA-N 359.223 2.980 30 40 FFEB CCCOc1ccc(/C=N/NC(=S)NCCOC)c(OCCC)c1 5784784 RJHSXMZGOANICI-CPNJWEJPSA-N 353.488 2.709 30 40 FFEB CCCCN1C(=O)C[C@@H](/C(O)=N/c2ncn[nH]2)[C@H]1c1ccc(OC)cc1 23140869 JWMIFMMZCYSSAP-GDBMZVCRSA-N 357.414 2.791 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccc(OC)cc2)cc1 18142494 VWFXPEAKVPRGCC-QGZVFWFLSA-N 353.374 2.912 30 40 FFEB biogenic COC[C@H](C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2206562 RQUZPFIJXVFSRY-LSDHHAIUSA-N 368.437 2.805 30 40 FFEB CC(=O)Nc1ccc(S(=O)(=O)Oc2c(C)cc(/C=N/O)cc2C)cc1 256050295 DNKGXROWOBMPKH-VCHYOVAHSA-N 362.407 2.838 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccccc2OC)cc1OC 5408871 YEBYJFWZNGAIKL-KRWDZBQOSA-N 369.373 2.578 30 40 FFEB CC(=O)Nc1ccc(C#CC2(NC(=O)c3ccccn3)CCCCC2)cn1 12219589 HQMROXPYEJBALE-UHFFFAOYSA-N 362.433 2.919 30 40 FFEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O 20795392 HTNRMTHMEPYVDM-LJQANCHMSA-N 367.792 2.862 30 40 FFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1F 102798633 VFQZQYLIWUZXHF-GROYHEBESA-N 355.365 2.894 30 40 FFEB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(C#N)cc2F)cc1 6956392 HCBKLKWMGATWDX-UHFFFAOYSA-N 370.336 2.670 30 40 FFEB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)CC(=O)NCCC#N 27360350 DNFUZKNQTYKXQM-UHFFFAOYSA-N 373.888 2.663 30 40 FFEB CCCCc1nnc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)s1 22742548 ORFGSLLUPNRSQH-UHFFFAOYSA-N 359.455 2.629 30 40 FFEB N#Cc1cnc(Sc2nnc(-c3ccco3)n2-c2ccccc2)nc1N 4335093 JHSFWEKDQXIYBU-UHFFFAOYSA-N 361.390 2.922 30 40 FFEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)cc1C 5370109 JZQKUAAJOICTFM-MPOGACDISA-N 366.508 2.705 30 40 FFEB O=S(=O)(c1cccc(/N=C/c2ccc(F)c(F)c2)c1)N1CCOCC1 4964405 VAYKEGXAYNSOOM-UDWIEESQSA-N 366.389 2.736 30 40 FFEB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@@H]1/C=N/c1ccccc1O 408744194 ZBFPVURVDWDCJZ-DKSCHZSNSA-N 373.821 2.812 30 40 FFEB CC1(C)Cc2nc(OCC(=O)NCCc3ccccc3)c(C#N)cc2CO1 32093918 QVGQFQSULATJMQ-UHFFFAOYSA-N 365.433 2.542 30 40 FFEB COC(=O)c1cnn2c1NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccnc1 49551262 CPGQHJVPLZYMCY-MRXNPFEDSA-N 352.394 2.723 30 40 FFEB N#Cc1ccnc(OC[C@H]2CCCN(C(=O)c3ccc4nccnc4c3)C2)c1 1775969615 CMNPKOMSSQWNFZ-INIZCTEOSA-N 373.416 2.828 30 40 FFEB Cc1ccc(CN2C[C@@H](C(=O)N3CCc4ccc(C#N)cc43)CC2=O)cc1 95441517 SYYGJOFFOQSMBA-IBGZPJMESA-N 359.429 2.805 30 40 FFEB COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC#N)cc(OC)c1OC 15022859 DTQHIYZOPBPETJ-XFQXTVEOSA-N 360.454 2.904 30 40 FFEB biogenic N#CC1(C(=O)N2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)CCCC1 1565547219 MHYBPAQWLXOKPG-OAQYLSRUSA-N 366.465 2.507 30 40 FFEB COc1cc(/C(C)=N/Nc2ccccc2C(=O)O)ccc1S(C)(=O)=O 57781567 DLCRMXXBMFEQTH-WOJGMQOQSA-N 362.407 2.633 30 40 FFEB CC(C)(C)CN(CCC#N)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 95443184 JVBKTUIBVCPMBJ-UHFFFAOYSA-N 350.426 2.875 30 40 FFEB CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccn3)NC2=O)cc1 12786576 RLXXYLLVMBYKHC-AWEZNQCLSA-N 368.418 2.532 30 40 FFEB O=S(=O)(/N=C(\O)C1(c2ccc(F)cc2)CCOCC1)c1cccnc1 66002889 USLPMRIPUMAJQI-UHFFFAOYSA-N 364.398 2.614 30 40 FFEB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(C#N)cc2)c1 7156512 XZOHRCMNEMTQPP-UHFFFAOYSA-N 363.826 2.714 30 40 FFEB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C#N)c(O)c1 9515201 MRYQIBIUVWXKMQ-NSHDSACASA-N 369.333 2.665 30 40 FFEB CC(C)Oc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1[N+](=O)[O-] 409340658 AHIHYWNOHWOSTK-UHFFFAOYSA-N 368.349 2.680 30 40 FFEB C=CCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 408789467 LFTIDALOQAXXSA-UHFFFAOYSA-N 372.490 2.531 30 40 FFEB C=CCN1C[C@@H]2CN(C(=O)c3ccccc3C)CCC[C@]2(C(=O)OCC)C1 585108071 MVQMVYZBFDCDFX-GCJKJVERSA-N 370.493 2.898 30 40 FFEB CC1=CC(=O)/C(=C\Nc2ccc3ncn(CCC(C)C)c(=O)c3c2)C(=O)O1 1547201053 SKEWMDLFCWWPON-MHWRWJLKSA-N 367.405 2.768 30 40 FFEB COc1cc(OC)c(OC)cc1/C=N\N1CCN(Cc2ccccc2)CC1 15938941 ISEYRRUPUMHJJR-JCMHNJIXSA-N 369.465 2.864 30 40 FFEB CSc1c(C#N)c(N)nc2c(/N=N/c3cccc([N+](=O)[O-])c3)c(N)nn12 16248717 NWUMNLBHCOXCNJ-FMQUCBEESA-N 369.370 2.811 30 40 FFEB O=C1COc2ccc(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)cc2N1 7333656 NODTYVGNMJYEDH-XVNBXDOJSA-N 364.401 2.750 30 40 FFEB Cc1csc([C@H](C#N)C(=O)COC(=O)/C=C/c2ccccc2[N+](=O)[O-])n1 8344204 RLJOXLRBICHMDS-KTRBRXNASA-N 371.374 2.793 30 40 FFEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1C 5516118 FSJBRAVKEVQARD-YXEAAEFPSA-N 372.899 2.660 30 40 FFEB C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)on2)cc1 3893175 WPJLTXTZRZCIKT-UHFFFAOYSA-N 361.423 2.598 30 40 FFEB N#Cc1ccsc1NC(=O)COC(=O)c1ccc(-n2cccn2)cc1 21470428 IQAZCLBKSXIIHL-UHFFFAOYSA-N 352.375 2.601 30 40 FFEB N#Cc1c(CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cn2ccccc12 32825224 YFRHRKVBHBDQNN-INIZCTEOSA-N 369.446 2.593 30 40 FFEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccncc2)/C1=C(\O)c1ccco1 102860012 JDQPXZUXNJMDIS-GROYHEBESA-N 361.357 2.692 30 40 FFEB CC1CCN(S(=O)(=O)c2ccc(-c3nc(C#N)c(N(C)C)o3)cc2)CC1 12421249 NXUSGIMBAPZYCT-UHFFFAOYSA-N 374.466 2.700 30 40 FFEB N#CCc1ccc(OC[C@@H](O)CSc2nc(N)c3ccsc3n2)cc1 9221275 IDMIHUOWJJMQIM-GFCCVEGCSA-N 372.475 2.872 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1 6238977 PKEZJHPBWCOXJB-GOSISDBHSA-N 367.401 2.920 30 40 FFEB N#Cc1cc(C(F)(F)F)ccc1NC(=O)Cn1c(=O)cnc2ccccc21 95997618 CEJRJJLUIIDWAG-UHFFFAOYSA-N 372.306 2.926 30 40 FFEB CCc1cccc(CC)c1NC(=O)CN1CCN([C@H](C#N)C(C)C)CC1 95394539 JKOCPWMOCWVJTL-LJQANCHMSA-N 356.514 2.916 30 40 FFEB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1cccc(Br)c1 409181867 GFXDIRIUGLNLIP-NJQYJPLRSA-N 371.234 2.836 30 40 FFEB N#Cc1cccc(C(=O)N2Cc3cccn3C[C@@H](OCc3ccncc3)C2)c1 585095502 UKPBGSGZCPDPJC-OAQYLSRUSA-N 372.428 2.996 30 40 FFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)CC(OC)OC)[C@H]3C[C@@H]12 61695587 YHZOBPBMQMCRTE-ISIBIEBGSA-N 351.487 2.851 30 40 FFEB biogenic C=CCOc1ccc(C(=O)N2CCC[C@H](c3n[nH]c4nccnc34)C2)cc1 12365074 KOSMLDQYYNDAMR-HNNXBMFYSA-N 363.421 2.938 30 40 FFEB C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OC(C)(C)C)nnc12 4500325 CUEVPTGWJKVUGS-UHFFFAOYSA-N 372.450 2.664 30 40 FFEB N#Cc1cccnc1N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888849881 FYNIFMBDIYGFIH-OKILXGFUSA-N 359.355 2.940 30 40 FFEB CCCC[C@@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(=O)O 98001348 SYCCWKIXSQFYSK-RXMQYKEDSA-N 359.213 2.917 30 40 FFEB COc1cc([C@@H]2N[C@H](C(=O)O)CS2)ccc1OCc1ccccc1C#N 4035355 DBBRVPMBYWUFIO-MAUKXSAKSA-N 370.430 2.934 30 40 FFEB C#C[C@](C)(CC)OC[C@@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1 12421435 DJKCECRJBDPFIG-AZUAARDMSA-N 364.917 2.950 30 40 FFEB COc1cc(C(=O)[C@@]2(C)O[C@@]2(C)C(=O)c2ccc(O)c(OC)c2)ccc1O 49181262 ZDJWTWORZULMCQ-BGYRXZFFSA-N 372.373 2.728 30 40 FFEB biogenic,in-vitro C=CCNC(=O)c1ccccc1NC(=O)C1CCN(CC(F)(F)F)CC1 56403879 NQNWHTSPPOAVIX-UHFFFAOYSA-N 369.387 2.815 30 40 FFEB COc1ccc(NC(=O)CN2CCCN(c3ccccc3C#N)CC2)cc1 52800942 BCBXPXJNARJKDY-UHFFFAOYSA-N 364.449 2.718 30 40 FFEB CCOCCC/N=C(/NCc1ccncc1)NCc1ccc(OC)cc1 58245862 WIHIUXQWBJOWIX-UHFFFAOYSA-N 356.470 2.752 30 40 FFEB COc1cc2c(cc1OC)CN(C(=O)COc1ccccc1C#N)CC2 2332196 UGCHHKHEZOELAF-UHFFFAOYSA-N 352.390 2.539 30 40 FFEB CCS(=O)(=O)c1ccc2c(c1)N/C(=C/C(=O)c1cccs1)C(=O)O2 100820597 MQONYJDSUQOHNU-FMIVXFBMSA-N 363.416 2.639 30 40 FFEB CCOC(=O)c1cc(C(=O)N(C)Cc2cccc(C#N)c2)cc([N+](=O)[O-])c1 25102056 UHFUEKVQBRYRBB-UHFFFAOYSA-N 367.361 2.915 30 40 FFEB CCCCOc1ccc(/C=N/NC2=NS(=O)(=O)c3ccccc32)cc1 3642109 AQZMQEUUAOAVHM-CPNJWEJPSA-N 357.435 2.938 30 40 FFEB COc1c(F)c(F)cc2c(=O)c(C(=O)N(C)CCC#N)cn(C3CC3)c12 13570241 CDIWUZGTAVLOFJ-UHFFFAOYSA-N 361.348 2.609 30 40 FFEB N#Cc1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 4330535 XLKYHUMPKUVEPV-UHFFFAOYSA-N 361.448 2.657 30 40 FFEB CC(=O)N(c1cccc(Cl)c1)c1nc(Cn2cnc(C#N)n2)cs1 14143893 FCGAXZNMMDUFGQ-UHFFFAOYSA-N 358.814 2.993 30 40 FFEB COc1cccc(/C=N/n2c(-c3n[nH]c4c3CCC4)n[nH]c2=S)c1OC 5625661 ZYZMJNLCDXLRTJ-GIJQJNRQSA-N 370.438 2.719 30 40 FFEB COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN)[C@@H]2c2ccccc2)cc1 19933711 ZGAUCPXVQHRMIG-GOSISDBHSA-N 366.417 2.622 30 40 FFEB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)C(=O)O)cc1 218105151 WBWHPOVJCKOFNT-AOIWGVFYSA-N 371.414 2.538 30 40 FFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(Br)cc1 222346456 URPZHFWDRVPDSQ-MSCHATCRSA-N 371.234 2.836 30 40 FFEB CCc1ccccc1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 12745215 WTWBRJDPSVCNDE-UHFFFAOYSA-N 357.435 2.693 30 40 FFEB COc1cccc2[nH]c3c(=O)n(/N=C/c4cccc(Cl)c4)c(=O)[nH]c3c12 17181105 FWPYUDQNZSMZGG-AWQFTUOYSA-N 368.780 2.715 30 40 FFEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/OCC(=O)NCC(F)(F)F 3327776 UMCSMTSYQZJRPQ-QPSGOUHRSA-N 374.750 2.863 30 40 FFEB CCOP(=O)(OCC)/C(=N\OC(=O)c1ccccc1Cl)C(N)=O 13756883 KFRFBORXTMYUJL-VBKFSLOCSA-N 362.706 2.562 30 40 FFEB O=C1N/C(=N\c2cccc(O)c2)S/C1=C\c1cc([N+](=O)[O-])ccc1O 18165234 CCOIXIFSGJDXBZ-AUWJEWJLSA-N 357.347 2.898 30 40 FFEB COc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2ccc(C)cc2)C1=O 408530244 DPLPVTHLWJIJPJ-CQSZACIVSA-N 351.362 2.605 30 40 FFEB CCN(CC)c1ccc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)cc1 31870545 IVMVRPQZOIVTIP-XKZIYDEJSA-N 372.448 2.745 30 40 FFEB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCOc2cccc(C#N)c2)C1=O 47348149 CRAFVYPMBVRYSL-FQEVSTJZSA-N 367.380 2.933 30 40 FFEB C=C(C)COc1ccc2c(C)c(CCC(=O)NCCOC)c(=O)oc2c1 94993064 DYYHZXRJYMMMRE-UHFFFAOYSA-N 359.422 2.752 30 40 FFEB C[C@@H]1CC(C)(C)[C@H](CNC(=O)C2(C#N)CCC2)[C@H]1NC(=O)C1(C#N)CCC1 609880583 VEOOTKVWHSIFGH-OAGGEKHMSA-N 370.497 2.657 30 40 FFEB O=C(O)C/N=C\c1ccccc1NC(=O)[C@@H]1CCCN1Cc1ccccc1 299888449 JXHNEINEXHQUFF-CVHFWEDTSA-N 365.433 2.793 30 40 FFEB COc1cccc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccc(OC)c(OC)c2)c1 5408863 FQHBQBKIBMTDPD-KRWDZBQOSA-N 369.373 2.578 30 40 FFEB COc1ccc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1OC 3252237 DRZCEUPERYZPOG-UHFFFAOYSA-N 368.389 2.807 30 40 FFEB C/N=C1\S/C(=C/c2ccc(O)c(I)c2)C(=O)N1C 100233164 FXDPFHBXSRNQCZ-QKXPFDBWSA-N 374.203 2.529 30 40 FFEB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)c1C 3479978 WWPSCTXVHQLMAP-CYBMUJFWSA-N 353.378 2.890 30 40 FFEB C=CCOc1ccc(CN[C@H](CC(N)=O)C2CCOCC2)cc1Cl 95452887 CKHDTXLJJFSTLR-MRXNPFEDSA-N 352.862 2.665 30 40 FFEB C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@@H]1COc2ccccc2O1 5118865 LZCFIMIYHLFUGG-WMLDXEAASA-N 351.406 2.657 30 40 FFEB C#CCN(C[C@H]1CCCO1)C(=O)NCCCc1nc2c(s1)CCCC2 89261630 GEXMEAIZQSTMKV-OAHLLOKOSA-N 361.511 2.778 30 40 FFEB C=CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)cc1 18196034 NQBGHGRPONJFQU-QGZVFWFLSA-N 351.410 2.896 30 40 FFEB COc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 408533512 JYXGMBCCJQNABO-MRXNPFEDSA-N 351.362 2.605 30 40 FFEB O=C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 225641955 XFKTYRPAPSMLMI-KBRIMQKVSA-N 364.806 2.824 30 40 FFEB Cc1cccc(C)c1N1/C(=N/C(=O)C(C)C)S[C@@H]2CS(=O)(=O)C[C@@H]21 9341435 CTIYBHNXYCNETR-LKXWOGMASA-N 366.508 2.561 30 40 FFEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccco2)cc1 104187794 AVEZYXIEEUYHLF-SELCWUDQSA-N 368.433 2.961 30 40 FFEB Cc1cccc(NC(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)c1 3332068 QOYQKWNXOHCGJU-UHFFFAOYSA-N 351.362 2.643 30 40 FFEB C[C@@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)N(C)c1ccccc1 7564470 YSWCTTFQMQYMDD-CQSZACIVSA-N 365.389 2.747 30 40 FFEB C/N=C1/S/C(=C\c2cc(OC)c(N3CCCC3)cc2OC)C(=O)N1C 101167520 PHTUFSVFQDRJJL-ABFYXFRKSA-N 361.467 2.836 30 40 FFEB C/N=C1/S/C(=C\c2ccc(OCC#N)c(Br)c2)C(=O)N1C 59104566 MNXCYUPAAZKBMQ-TYNIREQSSA-N 366.240 2.883 30 40 FFEB CCOc1ccccc1/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCO2 48461545 UEMKQQTWGPFZGG-UHFFFAOYSA-N 363.391 2.550 30 40 FFEB C[C@H](Sc1nc2c(c(=O)[nH]1)CCCC2)C(=O)Nc1ccccc1C#N 18247577 FCIYAKMFZPWSGO-NSHDSACASA-N 354.435 2.640 30 40 FFEB C=CCN1C(=O)/C(=C/c2c(C)n(CC=C)c3ccccc23)C(=O)NC1=S 408902581 KLPLIBQMPOUDHV-FOWTUZBSSA-N 365.458 2.948 30 40 FFEB Cc1ccnc(-n2c(C)cc(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2C)c1 409404645 FBKYZVGNMMRIGT-CPLUKWAASA-N 374.444 2.939 30 40 FFEB Cc1cc(NC(=O)CSc2nc3cc4c(cc3cc2C#N)OCO4)no1 35314293 DPLUMQKLRAOJOI-UHFFFAOYSA-N 368.374 2.862 30 40 FFEB N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@H](O)C2CCCCC2)n1 542839551 SMDLKWPMXKWLBF-KRWDZBQOSA-N 371.416 2.946 30 40 FFEB CC(C)(C)c1ccc(C(=O)O/N=C(/c2nonc2N)N2CCCCC2)cc1 5481538 CPUFMCXWIHWJON-QJOMJCCJSA-N 371.441 2.954 30 40 FFEB Cc1cc(N2CCN(CCOc3ccc(C#N)cc3)CC2)nc(C(C)C)n1 27545956 BHSVALFZCWEKGH-UHFFFAOYSA-N 365.481 2.981 30 40 FFEB Cc1nn(C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)c(=O)c(C#N)c1C 45821608 VAVCWWKSWIZVMT-BBRMVZONSA-N 361.829 2.524 30 40 FFEB C(CO[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1[C@@H]2C[C@H]2O[C@H]12)O[C@@H]1C[C@@H]2C[C@H]1[C@@H]1[C@@H]2C[C@H]2O[C@H]12 100197791 HRUIRWVQYBQBJX-DKTYZHAYSA-N 358.478 2.643 30 40 FFEB CCOc1ccc(/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1 13116318 GAJSJVGYFSQHOX-XDOYNYLZSA-N 365.433 2.842 30 40 FFEB CCn1cc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)c2ccccc21 4168043 KQMGLNWBWYFSRD-SSDVNMTOSA-N 368.416 2.873 30 40 FFEB COc1ccccc1/N=C1\NC(=O)[C@H](CC(=O)Nc2ccccc2)S1 9348831 JQFWPUWESRSUFB-HNNXBMFYSA-N 355.419 2.943 30 40 FFEB N#CC1(NC(=O)CSc2nnc(NCc3ccco3)s2)CCCC1 7161890 GRESRYUJDGXWIC-UHFFFAOYSA-N 363.468 2.788 30 40 FFEB Cc1nn(-c2ccccc2)c(COC(=O)CNC(=O)c2ccccc2)c1C#N 18170897 JZOADADYKBZNPS-UHFFFAOYSA-N 374.400 2.526 30 40 FFEB COc1ccc(N2CCO[C@@H]2c2cn(Cc3ccc(C#N)cc3)nn2)cc1 216767256 ZCODHCUDXODSIN-HXUWFJFHSA-N 361.405 2.742 30 40 FFEB N#Cc1ccccc1CO/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 15553164 OEVGBGLNTNRRTQ-FYJGNVAPSA-N 366.377 2.854 30 40 FFEB O/N=C1\Cc2ccccc2[C@H]1N1CCN(Cc2ccc3c(c2)OCO3)CC1 19683264 FQUIZYFMERBDPI-YUIBMZAKSA-N 365.433 2.661 30 40 FFEB Nc1nc(=O)c2c([nH]1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(F)cc1 13598485 VYQBGGOFHGLBCQ-ZDUSSCGKSA-N 360.348 2.656 30 40 FFEB C=CCN(c1ccc(C(=O)Nc2ccccc2OC)cc1)S(C)(=O)=O 640344 GNGZQCNJGQOZNI-UHFFFAOYSA-N 360.435 2.900 30 40 FFEB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CN3CCSCC3)C(=O)O[C@@H]1C2 61992850 ISRUYQDZFXREJX-AUTURXRWSA-N 351.512 2.562 30 40 FFEB biogenic CCOc1ccc(/C=N/OCC(=O)NCCc2ccc(OC)cc2)cc1 2616228 RPUMVWBNFRWDQW-HYARGMPZSA-N 356.422 2.803 30 40 FFEB COc1cc(OC)cc(/C(O)=N/S(=O)(=O)c2ccc3c(c2)CCC3)c1 48612182 JPJOUOSKXLWKJL-UHFFFAOYSA-N 361.419 2.886 30 40 FFEB CN1N=C(c2ccc3c(c2)NC(=O)CO3)CS/C1=N\Cc1ccccc1 15406194 YQLCBLMOVVEQDW-VXPUYCOJSA-N 366.446 2.956 30 40 FFEB CCNC(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2cccc(F)c2C#N)C1 95999527 QZQCKWDYIIPZHT-GFCCVEGCSA-N 356.405 2.946 30 40 FFEB C=CCOc1c(C=Nn2c(O)nc3ccccc3c2=O)cccc1OC 409358580 LYQUCCNEZRAPBV-UHFFFAOYSA-N 351.362 2.558 30 40 FFEB C=CCn1c(=O)c2ccccc2n(Cc2nc(-c3ccccc3C)no2)c1=O 38652767 RYIQLWSKXMBPBG-UHFFFAOYSA-N 374.400 2.756 30 40 FFEB COc1cc(N/C=C2\C(=O)ON=C2c2ccccc2)c(C(=O)O)cc1OC 5658112 XQCZCWJDIGEFTI-RAXLEYEMSA-N 368.345 2.659 30 40 FFEB COc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 694875 GOYOTVYTGVQKIM-LICLKQGHSA-N 354.815 2.670 30 40 FFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(Cn2cccn2)cc1 14184526 LZCWTNUFWNBNRX-INIZCTEOSA-N 360.417 2.887 30 40 FFEB CNC(=O)c1ccc(/N=C(\O)c2nn(C(C)C)c(=O)c3ccccc23)cc1 6510230 SDSBRBIXDLHALN-UHFFFAOYSA-N 364.405 2.973 30 40 FFEB N#CC1(NC(=O)COC(=O)c2csc(-c3ccccc3)n2)CCCC1 7162458 PTNIEWAQUIMFNQ-UHFFFAOYSA-N 355.419 2.919 30 40 FFEB Cc1nc(C(C)C)sc1C(=O)NS(=O)(=O)Cc1ccccc1C#N 69550091 LBPLOCILENJCBV-UHFFFAOYSA-N 363.464 2.706 30 40 FFEB CC(C)n1cc(C#N)c(NS(=O)(=O)c2cnc(Cl)cc2Cl)n1 95454531 CEOPEOCUPIIBIG-UHFFFAOYSA-N 360.226 2.838 30 40 FFEB COC(=O)CSc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C#N 40486448 HWZOHGKHFUXCDK-UHFFFAOYSA-N 358.810 2.993 30 40 FFEB COc1cccc(C2=NO[C@@H](C(=O)Nc3ccc(C#N)cc3)C2)c1OC 5030073 QUHSSCUTKWOJCP-QGZVFWFLSA-N 351.362 2.707 30 40 FFEB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC#N)C2=O)cc1 5928850 BEGBMWNZKMTWQT-VBKFSLOCSA-N 361.357 2.564 30 40 FFEB O=c1[nH]c2ccccc2c(=O)n1C/C(O)=N/CCc1ccc(Cl)cc1 2951922 QVJFQUTZRIMUDK-UHFFFAOYSA-N 357.797 2.542 30 40 FFEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1cccs1 5799911 DQIOMYMAAOJRRY-UYTDBDHRSA-N 356.447 2.731 30 40 FFEB O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1)c1ccccc1 100886560 IDAWQJVAACQITB-MKRGEVTBSA-N 372.471 2.602 30 40 FFEB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N(C)CCC#N)c2C1 3285263 WDIYQIFQYAOKER-CQSZACIVSA-N 365.433 2.888 30 40 FFEB COc1ccc(-c2ccc(C#N)c(SCC(=O)N3CCOCC3)n2)cc1 11692453 MFWCYHRQDVEAQC-UHFFFAOYSA-N 369.446 2.580 30 40 FFEB COc1cc(C#N)ccc1O[C@H](C(=O)N1CCOCC1)c1ccccc1 6847349 SBMAJHRNQQNBEE-IBGZPJMESA-N 352.390 2.546 30 40 FFEB COc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(C)c(C)c3)C2=O)cc1 408528487 BJJDQBABKZVJRB-QGZVFWFLSA-N 365.389 2.914 30 40 FFEB N#C[C@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 218502419 PAXUACGNGUBZNW-YESZJQIVSA-N 365.813 2.921 30 40 FFEB O=C1/C(=N\O)c2cc([N+](=O)[O-])ccc2N1CCOc1ccc(Cl)cc1 46084784 CGZCGNJMGAEXAY-SDXDJHTJSA-N 361.741 2.852 30 40 FFEB N#Cc1ccc(OC2CCN(C(=O)NCC3=CCOCC3)CC2)c(F)c1 578115607 AOGLYKMLFUXUAL-UHFFFAOYSA-N 359.401 2.597 30 40 FFEB O=C(O)COc1ccccc1/C=N\N1CCN(c2ccc(Cl)cc2)CC1 5589369 QYDWXDOTHCLNMX-BKUYFWCQSA-N 373.840 2.960 30 40 FFEB C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 100006925 WYZWZEOGROVVHK-WSGSENCDSA-N 364.781 2.692 30 40 FFEB in-vitro Cn1c(SCC(=O)Nc2cccc(C#N)c2)nc2ccsc2c1=O 26099378 CDWNPZINTXFEFO-UHFFFAOYSA-N 356.432 2.597 30 40 FFEB CC(=O)O/N=C/c1c(NCc2ccccc2)nc2c(C)cccn2c1=O 2279299 HCRNFOPVZLUDIZ-CIAFOILYSA-N 350.378 2.512 30 40 FFEB N#C[C@@H](COC(=O)[C@@H]1CCCN(c2ncccn2)C1)Cc1ccc(F)cc1 68491349 BRAWFTFGYSVNOJ-DLBZAZTESA-N 368.412 2.758 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1cccc(O)c1 17137787 QBMVMBMXQDSLSQ-INIZCTEOSA-N 357.362 2.518 30 40 FFEB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2ccc(F)c(C#N)c2)C1 548010381 BVUHWLMMNUSQMD-GOSISDBHSA-N 358.442 2.700 30 40 FFEB CCNC(=S)N/N=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1 33746652 POMUHHMVFIBDLM-RGVLZGJSSA-N 357.435 2.782 30 40 FFEB C=CC[C@@H]1N(c2ccc(F)c(Cl)c2)C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 95495832 WQPJQZYZOVZCCA-KQVLKZGSSA-N 363.772 2.795 30 40 FFEB Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2cc(F)c(C#N)c(F)c2)C3)n1 685943369 VJWXABGFJIHTGG-SGTLLEGYSA-N 358.348 2.722 30 40 FFEB N#Cc1cccc(CN2C[C@H](O)C[C@H]2c2nc(Cc3ccccc3)no2)c1 15674612 BRQXAJPSXZAMEG-MOPGFXCFSA-N 360.417 2.840 30 40 FFEB biogenic,in-vitro CCN1C(=O)/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 6226170 AGKKWZBXHITADH-SDXDJHTJSA-N 355.310 2.686 30 40 FFEB COC(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 4463176 HFSBXYFOGWDBJN-UHFFFAOYSA-N 372.764 2.794 30 40 FFEB N#CCOc1ccc(NC(=O)NCCc2cc(F)cc3c2OCOC3)cc1 40120100 DNOBOAKGEYQGDU-UHFFFAOYSA-N 371.368 2.959 30 40 FFEB Cc1nc(CN2CCN(c3cc(C#N)cc([N+](=O)[O-])c3C)CC2)cs1 42109843 AOVINODRTRBMTC-UHFFFAOYSA-N 357.439 2.862 30 40 FFEB COc1ccc(OC)c2c1CN(Cc1cn3ccccc3c1C#N)C[C@H]2O 58162229 LYGGMZOIOCVFGL-GOSISDBHSA-N 363.417 2.877 30 40 FFEB COc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(CC#N)cc2)c(OC)c1 95989801 DLOOBQKOTSSXEW-QGZVFWFLSA-N 368.389 2.716 30 40 FFEB CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(Cl)c1O 409031385 AHIGSRCWLSHVGT-MQRJGYPBSA-N 360.797 2.585 30 40 FFEB N#Cc1c(SCCN2CCCC2)nc(N2CCOCC2)c2c1CCCC2 6764628 SYDWTIDRFODXPB-UHFFFAOYSA-N 372.538 2.857 30 40 FFEB CC(=O)c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)cc1 5849642 KTCRODJTRIONFT-UHFFFAOYSA-N 350.378 2.996 30 40 FFEB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O 8727494 WPPGJDQMGXYDQB-HXUWFJFHSA-N 367.380 2.933 30 40 FFEB CCN(C[C@H](O)COc1ccc(C#N)cc1)[C@H](COC)Cc1ccccc1 76093774 JWMSSXWFSFPMTJ-SFTDATJTSA-N 368.477 2.878 30 40 FFEB Cc1[nH]c(=O)nc(SCC(=O)N[C@H](c2ccccc2)C(C)C)c1C#N 32858419 SVODIHVCDZKBQI-INIZCTEOSA-N 356.451 2.556 30 40 FFEB C[C@@H](C(=O)ON1C(=O)CCC1=O)c1ccc(C(=O)c2ccccc2)s1 73279585 LQDBIMGBVIWJJD-LLVKDONJSA-N 357.387 2.690 30 40 FFEB CN1CCC(c2ncc(C(=O)N[C@@H](C#N)c3ccccc3Cl)[nH]2)CC1 685941732 HMQSFMBAWDPENM-HNNXBMFYSA-N 357.845 2.867 30 40 FFEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1cccs1 8771824 UYRNCUNPWMIHHP-DPEHCCBOSA-N 360.435 2.715 30 40 FFEB C[C@@H](OC(=O)c1cc2ccccc2c(=O)[nH]1)C(=O)Nc1cccc(C#N)c1 21590772 GSCQPGUSXVXGOU-GFCCVEGCSA-N 361.357 2.584 30 40 FFEB COCc1cc(C)n(CC(=O)Nc2ccc3ccccc3c2)c(=O)c1C#N 810875 IFOIITZAUMJXSL-UHFFFAOYSA-N 361.401 2.967 30 40 FFEB N#Cc1nccnc1N1CCc2[nH]nc(COc3cccc(Cl)c3)c2C1 23540942 YCJIUTJIYNPDHD-UHFFFAOYSA-N 366.812 2.866 30 40 FFEB CCCn1c2c(c(=O)n(C)c1=O)C(=O)/C(=C\c1cc(C)c(C)cc1C)N2 105628227 DUAOAHCREJJKGL-XNTDXEJSSA-N 353.422 2.532 30 40 FFEB CCn1c(=O)/c(=C/c2ccc(C)cc2C)s/c1=C(\C#N)C(=O)C(C)(C)C 105628875 GDJHHFZQFYHNSE-FNCPIBMASA-N 368.502 2.665 30 40 FFEB Cc1ccnc(NC(=O)C2CCN(CCOc3ccccc3C#N)CC2)c1 58160926 QNSDIUKVORCROZ-UHFFFAOYSA-N 364.449 2.991 30 40 FFEB CCNC(=S)NCCCNc1nc2ccc(OCC)cc2cc1C#N 20151200 FLDGZEYSVPSVOS-UHFFFAOYSA-N 357.483 2.791 30 40 FFEB C[C@H]1CN(CC2CCN(CCOc3ccccc3C#N)CC2)C[C@H](C)O1 60368353 FIQVYRVGVWGEFB-ROUUACIJSA-N 357.498 2.758 30 40 FFEB N#Cc1c(CCCNC(=O)c2ccc(SC(F)(F)F)cc2)n[nH]c1N 9338233 FMBAKFPCOONSHH-UHFFFAOYSA-N 369.372 2.838 30 40 FFEB Cc1ccc([C@@H](CNC(=O)Nc2ccc(CC#N)cc2)N2CCOCC2)o1 76084847 AUADWXIAOTZMOL-GOSISDBHSA-N 368.437 2.849 30 40 FFEB C=CCNC(=O)COC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1 5861361 YSDICAQZLFSWSV-UHFFFAOYSA-N 373.409 2.994 30 40 FFEB COc1ccc(Cn2c(C)nc([N+](=O)[O-])c2SCC#N)cc1[N+](=O)[O-] 8402308 JYXLTNKUKFFNMH-UHFFFAOYSA-N 363.355 2.681 30 40 FFEB C=CCN(CC=C)[C@H](CNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1)C(C)C 60342931 UBYVOHXGQIMPMT-MRXNPFEDSA-N 372.517 2.985 30 40 FFEB C#CCN1CCN(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)CC1 89261732 CMPUVQCYTTZMFA-UHFFFAOYSA-N 354.385 2.796 30 40 FFEB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCc1cnn(C)c1 103619772 ILOJDXRQBCOBNP-ZDUSSCGKSA-N 374.828 2.671 30 40 FFEB O=C1N[C@@H](c2ccccc2[N+](=O)[O-])/C(=C(\O)c2ccc(Cl)cc2)C1=O 102547588 UKAGVCOQXWSQLN-MRPLLJTBSA-N 358.737 2.958 30 40 FFEB CCn1nnc2cc(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c3ccccc3)ccc21 103503739 WVWLDSPQOIJBGZ-XJKSGUPXSA-N 361.405 2.651 30 40 FFEB C=CCn1c(SCC(=O)N[C@](C)(C#N)C(C)C)nnc1-c1ccncc1 2624734 JFAAKOHLYVXGRB-GOSISDBHSA-N 370.482 2.673 30 40 FFEB CCN(CC(=O)Nc1ccccc1OC)CC(=O)Nc1sccc1C#N 3439861 IFCOVWJLGDICKZ-UHFFFAOYSA-N 372.450 2.527 30 40 FFEB CCOc1ccc(/C=N/O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 3412304 QCNPGVAZQFRHMP-OFJBCHTGSA-N 370.405 2.869 30 40 FFEB N#Cc1cn(CC(=O)NCc2ccc3c(c2)OCCCO3)c2ccccc12 64987002 PURQTLBRVGNSLG-UHFFFAOYSA-N 361.401 2.991 30 40 FFEB C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CS/C1=C\C(=O)C(C)(C)C 28915612 JCIRXHGMDKZXCS-UMOJFFKJSA-N 352.500 2.713 30 40 FFEB CCOc1cc(C#N)ccc1OCC(=O)Nc1cccc(NC(C)=O)c1 8937713 LXJYJARCXQGXEN-UHFFFAOYSA-N 353.378 2.933 30 40 FFEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1C(=O)CC(C)(C)CC1=O 101488605 DGEWMPJAFAJOBY-RQZCQDPDSA-N 362.342 2.865 30 40 FFEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1cccc(OC)c1 4944614 ARAVYJBXMTZTRE-ZDUSSCGKSA-N 357.435 2.541 30 40 FFEB C=CCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 101329428 LUAULMSEBPVYAT-DHSIGJKJSA-N 362.813 2.553 30 40 FFEB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CN(CC#N)C3CC3)C2=O)cc1 58162065 FHDIJJLEJGNTTQ-FQEVSTJZSA-N 354.454 2.697 30 40 FFEB CN(CCC#N)C(=O)COC(=O)c1cc(Br)ccc1Cl 3284392 VUOPPLCAOCGLIM-UHFFFAOYSA-N 359.607 2.631 30 40 FFEB N=C(N/N=C\c1cc(Cl)ccc1O)N/N=C/c1cc(Cl)ccc1O 104392485 IGWAWNDBEPRQQY-NORIJPHCSA-N 366.208 2.887 30 40 FFEB C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CN1CCSCC1 61992853 ISRUYQDZFXREJX-DGUWLTKGSA-N 351.512 2.562 30 40 FFEB biogenic CCOC(=O)c1cccc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c1 9335922 GFHUVIQUKNYRFH-UHFFFAOYSA-N 367.405 2.611 30 40 FFEB COc1ccc(CN(C)CC(=O)Nc2oc(C)c(C)c2C#N)c(OC)c1 22185761 IQMNMLNXCVLKTM-UHFFFAOYSA-N 357.410 2.856 30 40 FFEB C=CCN1CC[C@]2(CN(Cc3nccs3)C[C@@H]2c2nccs2)C1=O 306142171 WSAFXIUIIGREFT-CXAGYDPISA-N 360.508 2.604 30 40 FFEB N#C[C@@]1(C(=O)O)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218384767 WNNAVPSUXGLJFG-HLLBOEOZSA-N 361.806 2.874 30 40 FFEB CO[C@@H]1CCC[C@H]1CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 579743876 MZTRYKAOLPQPSD-QFBILLFUSA-N 359.445 2.845 30 40 FFEB Cc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCCN(C)C)o1 20219552 WAKFALAIJRJHID-KRWDZBQOSA-N 369.421 2.513 30 40 FFEB Cc1ccc(-n2nnnc2S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1C 21573853 XZXBXGJMIRTZNQ-KDOFPFPSSA-N 372.498 2.814 30 40 FFEB C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1nc(-c2ccc(F)cc2)no1 58193466 IHEBIQLEANXKPC-LLVKDONJSA-N 372.381 2.787 30 40 FFEB Cc1ccccc1N1/C(=N\C(=O)CC(C)C)S[C@H]2CS(=O)(=O)C[C@H]21 101312098 SSQPQCCBSXNMAQ-YTRIFDNDSA-N 366.508 2.643 30 40 FFEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccncc1 5931282 HPZJLZOVPFTGIA-ZDUSSCGKSA-N 354.435 2.841 30 40 FFEB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1C=Nc1ccc(Cl)cc1 408534562 MIUSMKZHKJHNON-AZHAFVHUSA-N 359.813 2.926 30 40 FFEB CC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)c1 7706927 ITMFTFNCHDEFOJ-CYBMUJFWSA-N 357.410 2.533 30 40 FFEB CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(C#N)cc2)CC1 89212546 OWFPVJFGUSFXBF-UHFFFAOYSA-N 350.440 2.731 30 40 FFEB N#Cc1cccc(C(=O)N2CC3(C[C@H](Oc4cccnc4)CS3)C2)c1 575402364 BODQOHBDWJONQA-KRWDZBQOSA-N 351.431 2.732 30 40 FFEB C#CCN1C(=O)S/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)C1=O 1005913 GCLXKAKPMAFUPH-GZTJUZNOSA-N 372.446 2.974 30 40 FFEB N#CC1(c2ccccc2)CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1 5899876 NAJKOIKMFXPJSH-UHFFFAOYSA-N 370.430 2.631 30 40 FFEB CN(Cc1ccc(F)cc1)C(=O)C1CCN(c2ccc(C#N)cn2)CC1 48235075 ADHOLUGNUNCURK-UHFFFAOYSA-N 352.413 2.967 30 40 FFEB C[C@@H](c1ccccc1)n1cnnc1SCC(=O)N[C@@](C)(C#N)C1CC1 48355986 FMEYYWIJFJEUJH-UGSOOPFHSA-N 355.467 2.788 30 40 FFEB CCCCc1n[nH]c(=S)n1/N=C/c1cc(OC)c(O)c([N+](=O)[O-])c1 5850374 RKHUNNDNDCWMBO-OVCLIPMQSA-N 351.388 2.788 30 40 FFEB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1[N+](=O)[O-] 5740025 KAOIEKHNYOWTHF-LLVKDONJSA-N 369.333 2.659 30 40 FFEB Cc1ccccc1CN1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 22795805 LSVPYSOTOQYBEC-UHFFFAOYSA-N 368.525 2.798 30 40 FFEB COc1ccc(OC)c([C@H]2NC(=O)C(O)=C2C(=O)c2ccc(C)cc2)c1 4901552 ZMQDINYFJAHYEV-QGZVFWFLSA-N 353.374 2.878 30 40 FFEB O=C(C[C@@H]1S/C(=N/c2cccc(C(F)(F)F)c2)NC1=O)NC1CC1 28892881 AXDVKTGTLBWOPL-NSHDSACASA-N 357.357 2.593 30 40 FFEB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C#N)cc2)cc1 2621378 BSNYUOIEQFGNLD-UHFFFAOYSA-N 357.435 2.841 30 40 FFEB CC1(C)CC(=O)[C@@H]2[C@H](C1)O[C@H](N)[C@@H](C#N)[C@H]2c1cnn(C2CCCC2)c1 408717927 SLOJVWAUJOWOGN-NLNMYJFZSA-N 356.470 2.910 30 40 FFEB C#CCNC(=O)COc1c(Br)cc(C)cc1Br 13005112 SOTRDNUEPWSCEX-UHFFFAOYSA-N 361.033 2.648 30 40 FFEB Cc1ccc2c(c1)/C(=N/NC(N)=S)C[C@H](C)N2C(=O)c1ccccc1 4592250 OQUQFALLVRPJBK-JEEMYIIMSA-N 352.463 2.971 30 40 FFEB N#CC1(NC(=O)COC(=O)CSc2ccc(F)cc2)CCCCC1 7985513 RHQLFZKLBIYKAR-UHFFFAOYSA-N 350.415 2.804 30 40 FFEB CC(=O)N1CCCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 95953636 ZMWIPZPSILRKAN-HNNXBMFYSA-N 374.510 2.574 30 40 FFEB C#CCOc1c(Cl)cc(CNCCc2nncn2C(C)C)cc1OC 75092244 UPKPQTUKULDORC-UHFFFAOYSA-N 362.861 2.865 30 40 FFEB CCOC(=O)Cn1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c2ccccc21 408750784 RQCVFCLKXWWACF-UKWGHVSLSA-N 367.365 2.954 30 40 FFEB N#C[C@@]1(C(=O)O)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218055669 RSPDIOUVWQPMMV-HLLBOEOZSA-N 361.806 2.874 30 40 FFEB N#C[C@@H]1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@H]1c1ccccc1 19819341 SLRRQDIZISEYNS-GJZGRUSLSA-N 357.373 2.737 30 40 FFEB COc1ccc(N/C(N)=N/c2nc(-c3ccccc3)cc(=O)[nH]2)c(OC)c1 20028220 ZIFMCZAJVSTTRO-UHFFFAOYSA-N 365.393 2.512 30 40 FFEB CCCn1c2c(c(=O)n(C)c1=O)C(=O)/C(=C\c1ccc(C(C)C)cc1)N2 40161440 RQAMZATYFFEXPM-RVDMUPIBSA-N 353.422 2.730 30 40 FFEB Cc1nn(CC(=O)N(Cc2ccccc2)c2ccccc2)c(=O)c(C#N)c1C 24925835 RRPGPFDSWOVPIR-UHFFFAOYSA-N 372.428 2.965 30 40 FFEB CCOc1ccc2nc(SCC(=O)NC[C@@H]3CCCO3)c(C#N)cc2c1 1354872 TVQHZGJBXYHIHR-INIZCTEOSA-N 371.462 2.892 30 40 FFEB CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(OCc3cscn3)cc2)C(=O)O1 25061136 OCRIBTOXSLDTNP-UKTKYZJWSA-N 369.398 2.950 30 40 FFEB COC(=O)c1cccc2c1CCCN2C(=O)COc1ccccc1C#N 25190637 HBNWYRDPCBQOIX-UHFFFAOYSA-N 350.374 2.703 30 40 FFEB CCN(CC)CCN(CC(=O)NCC#N)Cc1ccc(Cl)c(Cl)c1 72313466 ZJWTWPCLXOZBNL-UHFFFAOYSA-N 371.312 2.777 30 40 FFEB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1sccc1C#N)C2=O 9387700 ZJYWPHDRFZRSMO-BBATYDOGSA-N 374.466 2.695 30 40 FFEB C=CCOC(=O)c1c(N)n(C[C@H]2CCCO2)c2nc3ccccc3nc12 2248546 RJEYCFOEOVNBRY-GFCCVEGCSA-N 352.394 2.689 30 40 FFEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 2637875 XQMKXYIKZCJXHB-QGZVFWFLSA-N 374.422 2.612 30 40 FFEB COC(=O)C1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 48183498 IRPQOLSVVBUNTP-UHFFFAOYSA-N 368.389 2.755 30 40 FFEB C[C@H](O)c1ccc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1 12896591 CPHWUMXMUBTWBO-AWEZNQCLSA-N 350.422 2.862 30 40 FFEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1cccnc1 6787106 DLBUKUVITCGQPP-IBOXJLQUSA-N 371.462 2.517 30 40 FFEB C[C@@H](CNc1oc(-c2ccc(Cl)cc2)nc1C#N)N1CCN(C)CC1 72238729 XVKHYQYRTRZEPF-ZDUSSCGKSA-N 359.861 2.914 30 40 FFEB Cc1cccc(-n2nc(C#N)c(N3CCN(c4ccccc4F)CC3)n2)c1 256048605 UTQHAFVJDDXDKK-UHFFFAOYSA-N 362.412 2.913 30 40 FFEB C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O 574749014 CUJWYVTXDRLSOF-NEWSRXKRSA-N 371.481 2.805 30 40 FFEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 5516410 ULZMFLOMHBUJAE-OVJMFRMASA-N 372.899 2.742 30 40 FFEB CCOC(=O)/C(=N/C[C@H]1CCCO1)NNc1cccc(C(F)(F)F)c1 3174667 KHCQNQHNVLSVOJ-CYBMUJFWSA-N 359.348 2.763 30 40 FFEB C=CCOc1cccc(CNCCCN2C(=O)NC3(CCCC3)C2=O)c1 15184533 STRLMJHAJAUIHQ-UHFFFAOYSA-N 357.454 2.596 30 40 FFEB Cn1/c(=N\C(=O)c2ccc(C#N)cc2)sc2cc3c(cc21)OCCO3 12080592 KHTYIQAUBLJFAL-CZIZESTLSA-N 351.387 2.624 30 40 FFEB COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 6072798 OYDWLBSXHHTCIA-JSKDENIMSA-N 368.341 2.972 30 40 FFEB biogenic CCN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)C[C@H](C)C#N 40158314 PIKARPQNUVVBLB-OAHLLOKOSA-N 356.470 2.779 30 40 FFEB CN1C(=C(C(=O)C(F)(F)F)C(=O)C(F)(F)F)NCc2ccccc21 1556706 HQOCSEGQEQMJFG-UHFFFAOYSA-N 352.234 2.700 30 40 FFEB C[C@@H](Oc1ccc(O[C@H](C)C(=O)/C=C/N(C)C)cc1)C(=O)/C=C/N(C)C 1404254 OFEMPMXDFKBGNQ-KWWKBFPYSA-N 360.454 2.510 30 40 FFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ncn(Cc2ccccn2)n1 58295472 LYXQNETUQRUVKD-UHFFFAOYSA-N 373.376 2.538 30 40 FFEB C#CCN(Cc1ccc(F)cc1)C(=O)CCS(=O)(=O)C1CCCC1 58369217 BXFXIVFTKCFKBH-UHFFFAOYSA-N 351.443 2.535 30 40 FFEB C=C(Cl)COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C 12883874 NFOBXJQQVJRXHI-GOSISDBHSA-N 362.813 2.670 30 40 FFEB C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)n1nc(-c2ccco2)oc1=O 14166241 ASJZAOOUAAFARL-SECBINFHSA-N 358.741 2.821 30 40 FFEB N#Cc1cccc(COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 6461468 ICRVJUOBLGQDSL-UHFFFAOYSA-N 370.430 2.700 30 40 FFEB C=CCN1CCN([C@H](c2ccc(C)cc2)c2nnnn2C2CCCC2)CC1 20121771 SYLAGHTUQNNBEX-HXUWFJFHSA-N 366.513 2.990 30 40 FFEB COc1cccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)c1OC 5721099 DEVWDAZDQMORGR-LICLKQGHSA-N 354.815 2.670 30 40 FFEB C/C(=N/NS(=O)(=O)c1ccccc1)c1cccc(NC(=O)C2CC2)c1 5889265 GGXKKDMPLWSQDL-MOSHPQCFSA-N 357.435 2.738 30 40 FFEB O=C1/C(=C/c2ccc3c(c2)OCCO3)CS(=O)(=O)c2c(F)cccc21 96925153 GNBSRMXIZJXOLS-XYOKQWHBSA-N 360.362 2.651 30 40 FFEB COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccccc1OC 66088158 NFKOJONSOIZGFW-MRXNPFEDSA-N 357.362 2.513 30 40 FFEB Cc1ccc(N2/C(=N/C(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 16741142 BRNCXVAKUDOUNM-PLDZJGDPSA-N 366.508 2.561 30 40 FFEB N#C[C@H]1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@@H]1c1ccccc1 19819347 SLRRQDIZISEYNS-HUUCEWRRSA-N 357.373 2.737 30 40 FFEB COC(=O)c1oc(CN2CCN(Cc3ccc(C#N)cc3)CC2)cc1C 32825202 KSCHPYIPZDDQPQ-UHFFFAOYSA-N 353.422 2.564 30 40 FFEB C=CCN(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)c1ccccc1 4890384 LAGCSZSJPNPVFO-HNNXBMFYSA-N 358.467 2.822 30 40 FFEB CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@H]1CC(=O)N(C)CC#N 8299347 PCNXCMISCVLSGL-KBPBESRZSA-N 362.861 2.595 30 40 FFEB biogenic,in-vitro CCOC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1/N=C/N(C)C 4058885 NRZVHODMPCWHNY-AWQFTUOYSA-N 355.320 2.684 30 40 FFEB NC(=S)N1N=C(c2ccccc2)/C(=N/Nc2cccc(Cl)c2)C1=O 5683542 OORTYFDKSYYTBO-ZHZULCJRSA-N 357.826 2.598 30 40 FFEB C[C@H](OC[C@@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1F 69286676 HFMHUPUHNLEAHL-ONGXEEELSA-N 365.810 2.708 30 40 FFEB CS(=O)(=O)c1cccc(NC(=O)COc2ccc(C#N)cc2Cl)c1 8256722 WRZGRMLZPUHRCA-UHFFFAOYSA-N 364.810 2.633 30 40 FFEB COc1cc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)cc(OC)c1OC 96792604 PVFUEJOXXXHPMY-JYRVWZFOSA-N 374.414 2.766 30 40 FFEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1cc([N+](=O)[O-])ccc1O 18195900 KOTZBTUZJONMSX-ZDUSSCGKSA-N 370.365 2.930 30 40 FFEB O=c1nc(N/N=C/c2ccc([N+](=O)[O-])cc2)sc2ccc([N+](=O)[O-])cc12 8741839 DZEXFFPVAXGRKR-LZYBPNLTSA-N 371.334 2.919 30 40 FFEB C=CCOc1ccc(NC(=O)C(=O)NCCc2ccc(OC)cc2)cc1 408709869 YMMFPEHUXORNEN-UHFFFAOYSA-N 354.406 2.557 30 40 FFEB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1/C=N/c1cccc(O)c1 408743390 WGKWSZZZKKWRIX-FRSZACSASA-N 373.821 2.812 30 40 FFEB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cn(CC#N)c3ccccc23)C1=O 409072177 MGHBHDSDGLHZKU-ZRRZQRFHSA-N 369.402 2.763 30 40 FFEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)cc1 32504496 UNEGKNLCVJCBKL-UICBKRPASA-N 366.508 2.787 30 40 FFEB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 78221955 UWMKPWKZGHRUQC-IIEHVVJPSA-N 358.478 2.831 30 40 FFEB CCOC(=O)CC[C@@H](OS(=O)(=O)c1ccc(C)cc1)C(F)(F)F 85388598 USANMLTUTYOGDY-GFCCVEGCSA-N 354.346 2.975 30 40 FFEB N#Cc1ccc(N[C@H]2CCN(C3CCOCC3)C2=O)cc1C(F)(F)F 610479558 BYKHWFUEAXHFKQ-HNNXBMFYSA-N 353.344 2.769 30 40 FFEB COCc1c(C#N)c(O)nc(/C=C/c2ccc(OC)c(OC)c2)c1[N+](=O)[O-] 15018855 XPWQSGFCKXRTRT-GQCTYLIASA-N 371.349 2.901 30 40 FFEB C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)[C@H](O)C[C@H](O)[C@]3(C)[C@H]1C2 253476406 IUVZTUKGYOYDHT-ZOYURSOISA-N 364.482 2.939 30 40 FFEB biogenic,in-vitro Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccccc2)cc1 19138471 QGHXVAOTRCRNLH-KDOFPFPSSA-N 351.402 2.954 30 40 FFEB COC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc3c(c1)OCO3)C2=O 6074105 ZGADBSNWHDGQBW-IUXPMGMMSA-N 368.341 2.892 30 40 FFEB biogenic C=CCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(F)cc1 20449340 NGRGMFXZEKHDLK-CYBMUJFWSA-N 374.437 2.881 30 40 FFEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3ccccc3Cl)c(=O)[nH]c12 9356803 GDUFTVGNUVIMST-AWQFTUOYSA-N 368.780 2.715 30 40 FFEB Cc1nn(CC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c(=O)c(C#N)c1C 19355018 QTRASCASEASCTE-MRXNPFEDSA-N 364.449 2.559 30 40 FFEB Cc1ccc(N(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C(C)C)cc1 95454784 BZKSHEZQSOLUDI-FQEVSTJZSA-N 356.514 2.902 30 40 FFEB COCCCNC(=S)NCCNc1nc2c(C)cc(C)cc2cc1C#N 20151219 SRNTWNRNOFUZGA-UHFFFAOYSA-N 371.510 2.636 30 40 FFEB O=[N+]([O-])c1cccnc1N/N=C\c1cc2c(cc1Br)OCO2 409093799 AAXYTFDXESDJOV-SOFYXZRVSA-N 365.143 2.927 30 40 FFEB C=CC(=O)Nc1ccc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1 1567193938 GDERIGPLDMDUGI-IBGZPJMESA-N 361.401 2.896 30 40 FFEB CC/N=C1\S[C@H](CC(=O)Nc2ccccc2OC(F)F)C(=O)N1CC 100633713 IGEJLUGZBAPFLL-QCJHYCHESA-N 371.409 2.956 30 40 FFEB N#Cc1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1 32827212 UEPYZXVQECXBEA-UHFFFAOYSA-N 365.436 2.640 30 40 FFEB CCOC(=O)[C@@H]1C(C)=CC(=O)[C@H](C(=O)OCC)[C@@H]1c1ccc(OC)cc1 7991548 AVFICRAHJIFRSB-KURKYZTESA-N 360.406 2.666 30 40 FFEB CN(C)C(=O)[C@@H]1CN(Cc2cn3ccccc3c2C#N)c2ccccc2O1 58367743 ZGQRKLBZSDLGRD-FQEVSTJZSA-N 360.417 2.667 30 40 FFEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4cccnc4)[C@H]3[C@@H]3O[C@@]132 12661428 SDMKAJVSPMROMN-QIZAOCPXSA-N 356.466 2.697 30 40 FFEB biogenic N#CCn1c(CSc2nnc3n2CCCCC3)nc2ccccc2c1=O 6097933 PZTMELAMUORFOE-UHFFFAOYSA-N 366.450 2.530 30 40 FFEB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)C(=O)O)cc1 218403304 QDOYOONKAUQSQX-LNLFQRSKSA-N 355.415 2.783 30 40 FFEB C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)c(C)c1 224008746 RLDGFTVCSKNTSX-UHFFFAOYSA-N 360.435 2.720 30 40 FFEB N#Cc1ccc(CNC(=O)[C@@H]2Cc3[nH]cnc3CN2Cc2ccccc2)cc1 15676318 VOXZXTABETVSEJ-NRFANRHFSA-N 371.444 2.525 30 40 FFEB biogenic,in-vitro CC(C)[C@](C)(C#N)NC(=O)CNc1cccc(I)c1 40162279 BABVKKWKRDXHIA-AWEZNQCLSA-N 371.222 2.758 30 40 FFEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(CC)cc1 100471869 OSYCDDDZJMNXHL-MPOGACDISA-N 366.508 2.651 30 40 FFEB COc1ccc(OC)c([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(O)cc2)c1 847055 NJJPOOPTAJEMET-SFHVURJKSA-N 369.373 2.898 30 40 FFEB N#Cc1ccccc1N1CCC[C@@H](NCc2ccc(-n3cncn3)cc2)C1 109077862 PVFJNEQYGNHHPW-LJQANCHMSA-N 358.449 2.898 30 40 FFEB N#CCC(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 53944053 NFFRFRPQXFBEKH-UHFFFAOYSA-N 354.435 2.804 30 40 FFEB NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccccc2)S1 2728493 RESRNFNOAYHERG-BSBNDGSWSA-N 353.447 2.736 30 40 FFEB C=CCn1c(S[C@@H](C)C(N)=O)nc2sc3c(c2c1=O)CC[C@H](C)C3 3458726 JHKUSOFHGNGPNH-UWVGGRQHSA-N 363.508 2.735 30 40 FFEB O=S(=O)(/N=C(\O)COC1CCCCC1)c1ccc2c(c1)OCCCO2 48536356 XBFBNOAMPJGCOP-UHFFFAOYSA-N 369.439 2.842 30 40 FFEB C=C(C)CN(CC)C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 14197787 ANSVFAYLABNVQG-UHFFFAOYSA-N 367.445 2.890 30 40 FFEB Cc1ccc(N2C(=O)[C@@H](/C=N\c3ccc(C#N)cc3)C(=O)NC2=S)cc1 408763678 UFKQYEKWOSZNTO-SJJOQSKNSA-N 362.414 2.633 30 40 FFEB C=CCN1C(=O)/C(=C/c2cc(Cl)c(OC)c(Cl)c2)C(=O)NC1=S 408903054 ONMIXUCGVBDVHG-WEVVVXLNSA-N 371.245 2.815 30 40 FFEB CC1=CC(=O)/C(=C\Nc2ccc3c(c2)nc2n3CCN(C(C)C)C2)C(=O)O1 1547201126 WUIMYEKDFFGNFY-XNTDXEJSSA-N 366.421 2.586 30 40 FFEB CC(C)(C)C(=O)N[C@H]1CCCN(c2ncc(Br)cc2C#N)C1 450314522 BRIYBSSLJHMQNS-ZDUSSCGKSA-N 365.275 2.847 30 40 FFEB C=CCn1c(SCCn2c(C)csc2=O)nnc1-c1ccncc1 9112026 VWJYQFQSSNFIQS-UHFFFAOYSA-N 359.480 2.850 30 40 FFEB CC(=O)c1sc(NC(=O)Cn2c(=O)oc3ccccc32)c(C#N)c1C 59317481 VIOZLJVJVWHCGK-UHFFFAOYSA-N 355.375 2.677 30 40 FFEB N#Cc1ccccc1N1CCCN(C(=O)Cc2ccc3c(c2)CCO3)CC1 46848600 ODOYUMIMMQRUFH-UHFFFAOYSA-N 361.445 2.775 30 40 FFEB C[C@@H](Sc1nnnn1-c1cccc(F)c1)C(=O)Nc1sccc1C#N 12699040 NRPLSMRKVSLJGJ-SECBINFHSA-N 374.426 2.854 30 40 FFEB Cc1ccc(S(=O)(=O)Nc2nc(C)cc(N/N=C/c3ccco3)n2)cc1 6088931 AACIMNJPJBUOFP-WOJGMQOQSA-N 371.422 2.933 30 40 FFEB C=CCn1c(SCC(=O)OC)nnc1[C@H](C)Oc1ccc(OC)cc1 17074768 KCEFROLCAOHZSL-LBPRGKRZSA-N 363.439 2.878 30 40 FFEB C=CCN1C(=O)S/C(=C\c2cccc(OC)c2O[C@@H](C)C(=O)O)C1=O 409232828 SINDUEHMXJWSIE-AVMBBCFPSA-N 363.391 2.769 30 40 FFEB Cc1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1N(C)S(C)(=O)=O 222472197 UCJBDXQOIFFLQM-UHFFFAOYSA-N 357.435 2.709 30 40 FFEB C=CCNC(=S)Nc1ccc(N2CCN(c3ccccc3)CC2)nc1 223920059 MLYZNWVPBKZIMG-UHFFFAOYSA-N 353.495 2.881 30 40 FFEB N/C(CC(=O)NC1CCCC1)=N/OCCOc1ccc(F)cc1Cl 93887475 UGBLPYMJSABOOC-UHFFFAOYSA-N 357.813 2.596 30 40 FFEB COc1cc(/C=N/NC(=S)NC(C)C)ccc1OC(=O)c1ccco1 3270437 SNOHCPWFWWKKJF-VCHYOVAHSA-N 361.423 2.714 30 40 FFEB Cc1sc(/N=C(\O)CN2CCNC(=O)C2)nc1-c1cccc(Cl)c1 19660354 XCCXWYCCNFJTQO-UHFFFAOYSA-N 364.858 2.792 30 40 FFEB CC(=O)NC(=S)Nc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 6238378 VMKQGAWAQYVUKS-RQZCQDPDSA-N 358.379 2.884 30 40 FFEB COc1cc(/C=N/OC(C)=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 20310290 KQOVIJSGOQUKQQ-VCHYOVAHSA-N 358.306 2.720 30 40 FFEB C[C@@H]1Oc2ccccc2N(CCC(=O)N(CC#N)Cc2ccccc2)C1=O 54246229 PRKSDIMUCBLFJA-INIZCTEOSA-N 363.417 2.743 30 40 FFEB C[C@H](C(=O)ON1C(=O)CCC1=O)c1ccc(C(=O)c2ccccc2)s1 1651351 LQDBIMGBVIWJJD-NSHDSACASA-N 357.387 2.690 30 40 FFEB COc1ccc2cc(/C=N/NS(=O)(=O)c3ccc(C)cc3)c(O)nc2c1 9345261 HZSHUPXBHATREF-YBFXNURJSA-N 371.418 2.570 30 40 FFEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)c(Cl)c1 5486552 FOXJHMGGKLLKQQ-RGHHBTPQSA-N 372.899 2.660 30 40 FFEB N#Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 408773278 JRDMYNULHSXUHK-OQLLNIDSSA-N 351.749 2.878 30 40 FFEB C=CCN(c1ccc(C(=O)NCC2CCCCC2)cc1)S(C)(=O)=O 223925117 KBMQCIJXZQWEGN-UHFFFAOYSA-N 350.484 2.949 30 40 FFEB C=C(Cl)COC(=O)[C@@H]1[C@@H](C(=O)n2nnc3ccccc32)[C@H]2C=C[C@H]1C2 100088416 WWKVRJPSDCXLQD-APYUEPQZSA-N 357.797 2.806 30 40 FFEB Cc1ccc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)CO)cc1 1723295 QKIYIFRDNZARRM-UHFFFAOYSA-N 366.279 2.599 30 40 FFEB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)COc2ccc(C#N)cc2)cc1 3240481 DLMCYGFXZSHPQA-AWEZNQCLSA-N 366.373 2.710 30 40 FFEB Cc1cc(C)n2c(SCC(=O)Nc3ccc(C#N)c(Cl)c3)nnc2n1 6325974 OGZNCPXHIVVASX-UHFFFAOYSA-N 372.841 2.997 30 40 FFEB CCOc1ccc(OCCNC(=O)c2ccc(NC(=O)CC#N)cc2)cc1 14244276 HOLMAIQCLQVANI-UHFFFAOYSA-N 367.405 2.746 30 40 FFEB O=C1C[C@H](C(=O)Nc2ccccc2)S/C(=N\N=C\c2ccccc2)N1 17014774 UQRRATIWXFGXRQ-IYSPOMMRSA-N 352.419 2.637 30 40 FFEB CCN1C(=O)C(CC(=O)O)=C(C(=O)c2ccccc2Cl)[C@@H]1SC 62716324 BDPVVLUWPGJWHJ-INIZCTEOSA-N 353.827 2.845 30 40 FFEB COc1cc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)cc(OC)c1OC 28912691 PVFUEJOXXXHPMY-MDWZMJQESA-N 374.414 2.766 30 40 FFEB CCS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@]1(C#N)COC 225642905 HBYFUTQLFZHCFK-MELADBBJSA-N 358.257 2.506 30 40 FFEB C=CCOc1ccc(C(=O)Nc2nnc(SCC(=O)OC)s2)cc1 225869373 NRSNGOVECUYCBR-UHFFFAOYSA-N 365.436 2.620 30 40 FFEB CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(c1ccnc(C#N)n1)CC2 580013206 GFIYTVBRBFPWFB-INIZCTEOSA-N 367.478 2.817 30 40 FFEB C=CCN1CCC2(CC1)C[C@@H](NC(=O)[C@H]1CCCO1)c1ccccc1O2 96242786 URENPOLZIGBXDH-IEBWSBKVSA-N 356.466 2.826 30 40 FFEB C=C(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)COCC)C2 585107529 ZDKUJLQDYZMMPM-NRFANRHFSA-N 366.465 2.733 30 40 FFEB CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)c1 103632582 JLPCEIGXKIQVGX-KSCOBTETSA-N 373.478 2.650 30 40 FFEB COc1ccc(NC(=O)C[C@@H]2S/C(=N\CC(C)C)NC2=O)cc1Cl 3539591 GYJVHEXAJNRJEK-ZDUSSCGKSA-N 369.874 2.921 30 40 FFEB C=CCNC(=O)Cn1c(CO)cnc1SCc1ccc(Cl)cc1 9827543 WAFLEGLCFPFFOX-UHFFFAOYSA-N 351.859 2.623 30 40 FFEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1cccc(O)c1 103903245 MXTLZUDRKSZPJU-SELCWUDQSA-N 367.401 2.850 30 40 FFEB CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2cccnc2)cc1 808059 PBOAJJSLIHEDLW-QGZVFWFLSA-N 366.373 2.747 30 40 FFEB Cc1ccccc1N/C(=N\OC(=O)Nc1ccccc1)c1nonc1N 1826656 DKHSMRWWKNWTSS-UHFFFAOYSA-N 352.354 2.983 30 40 FFEB C(CO[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1[C@@H]2C[C@H]2O[C@H]12)O[C@H]1C[C@H]2C[C@H]1[C@@H]1[C@@H]2C[C@H]2O[C@H]12 100197784 HRUIRWVQYBQBJX-LMHWIVKZSA-N 358.478 2.643 30 40 FFEB N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@H](C(N)=O)N2C=Cc3ccccc3[C@@H]21 27271775 HVCZTRFWMLVDJU-GUDVDZBRSA-N 358.376 2.838 30 40 FFEB N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCc2sccc2C1 58179779 OBUBBIKPVUZCEZ-UHFFFAOYSA-N 363.446 2.802 30 40 FFEB Cc1ccc(C)c(NC(=O)/C(=N/NC(N)=S)[C@@H](C#N)c2ccccc2)c1 104280060 TWLKLEPGFUUZIZ-WSRQSJKRSA-N 365.462 2.739 30 40 FFEB C[C@@H](OC(=O)c1cnn(C)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 12853026 XKKQYRHIHAYRFF-LLVKDONJSA-N 372.450 2.806 30 40 FFEB CCCc1ccc(S(=O)(=O)/N=C(\O)CCCNC(=O)C2CC2)cc1 48563083 CKJLMIJMKBDRHM-UHFFFAOYSA-N 352.456 2.591 30 40 FFEB COc1ccccc1NC(=O)C[C@@H]1S/C(=N\C2CCCCC2)NC1=O 12995490 ZTPMFVTVEKMUML-HNNXBMFYSA-N 361.467 2.944 30 40 FFEB CC(C)(C)C(=O)/C=C1/SCC(=O)N1CC(=O)Nc1ccc(F)cc1F 65500209 QEANSWIESODRAM-FRKPEAEDSA-N 368.405 2.935 30 40 FFEB C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@@H]1COc2ccccc2O1 5118866 LZCFIMIYHLFUGG-RHSMWYFYSA-N 351.406 2.657 30 40 FFEB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCCN(c2ccccc2C#N)CC1 65493991 BOQMJLYQHDGKAH-HKUYNNGSSA-N 371.481 2.571 30 40 FFEB C=CCn1c(SCC(=O)N[C@](C)(C#N)C(C)C)nnc1-c1cccnc1 8471630 WIGPFUWAEMKBQR-GOSISDBHSA-N 370.482 2.673 30 40 FFEB Cc1ccc2[nH]c3nc(N/N=C/c4cccc([N+](=O)[O-])c4O)nnc3c2c1 36047041 RWFDAONLDZXMPT-QGMBQPNBSA-N 363.337 2.874 30 40 FFEB Cc1cccc(CS(=O)(=O)N2CCC(Oc3ccc(C#N)cn3)CC2)c1 90607663 HIDLHTYIBPYNPP-UHFFFAOYSA-N 371.462 2.635 30 40 FFEB C#CCOc1ccccc1CN1CCc2nc(-c3cccnc3)nc(O)c2C1 12122211 BNIMUVYOEBERRF-UHFFFAOYSA-N 372.428 2.815 30 40 FFEB C=CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 15508910 DTIJSMRSYORYKQ-UHFFFAOYSA-N 356.875 2.821 30 40 FFEB C=C[C@H](CC(=O)N1CCC(c2nc(N(C)C)n[nH]2)CC1)c1ccccc1 555543154 OPNIZCFQKDOKND-OAHLLOKOSA-N 353.470 2.937 30 40 FFEB Cc1occc1-c1nnc(SCC(=O)Nc2cccc(C#N)c2)n1C 4948030 UUNWHZGMYMYTQY-UHFFFAOYSA-N 353.407 2.986 30 40 FFEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCO)[C@H]2c2ccc(F)cc2)cc1 104139401 RETOVWIILAIDKK-GHNGSUTGSA-N 369.392 2.938 30 40 FFEB