smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C/C(=N\NC(=O)c1ccncc1)C1CCC(c2ccccc2)CC1 16890252 ZKNNGVFKLMCYKT-PXLXIMEGSA-N 321.424 4.161 50 40 DIGB N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 44790660 CRGATLCPIVVDBX-XFXZXTDPSA-N 300.720 4.025 50 40 DIGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c(C)[nH]1 522261 MIPXFPIBPATVHQ-VCHYOVAHSA-N 315.376 4.330 50 40 DIGB CC/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc(C)cc1 15938820 SWOHGZARKUJJCC-HEHNFIMWSA-N 305.381 4.020 50 40 DIGB CC[C@@H](C)Oc1ccccc1/C=N/NC(=O)Nc1ccccc1 408600733 FRVUQNHEEPNNOJ-NFECSFHCSA-N 311.385 4.020 50 40 DIGB O=C(CCl)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 13609046 FSQKKKSGIOWELQ-UHFFFAOYSA-N 321.163 4.326 50 40 DIGB C[C@@H](Cl)C(=O)c1ccc(COc2cc(F)ccc2F)cc1 575358159 LXLZOBFMXXXSGZ-SNVBAGLBSA-N 310.727 4.354 50 40 DIGB O=P(CCCCl)(OCCCCl)OCCCCl 1673623 WKPXTOGCKNVHBO-UHFFFAOYSA-N 311.573 4.099 50 40 DIGB O=[N+]([O-])c1ccc2c(c1)[C@@H](Br)c1cc(F)ccc1-2 1682488 BMDIBGFDJCEJLU-ZDUSSCGKSA-N 308.106 4.199 50 40 DIGB O=C(CCl)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 3379361 JKLYTUFJGMKSTB-UHFFFAOYSA-N 307.391 4.478 50 40 DIGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(C2CC2)c1C 24100201 KGOSMZXPKFEBST-GZTJUZNOSA-N 319.408 4.294 50 40 DIGB O=C(CBr)O[C@@H]1CCCC[C@H]1C1CCCCC1 1614651 DIYHVSKBLWKBBP-QWHCGFSZSA-N 303.240 4.064 50 40 DIGB C/C(=N\NC(=O)Cc1cc(C)ccc1C)c1cc(C)ccc1C 409366880 ZWRVRUNEHIQFHZ-HEHNFIMWSA-N 308.425 4.003 50 40 DIGB Cc1csc(/C(C#N)=C/c2csc(Br)c2)n1 32789565 CGMCVIOOEBZGCO-XNWCZRBMSA-N 311.229 4.340 50 40 DIGB O=C(CCl)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 216854316 NISCGLYYLSTKLE-UHFFFAOYSA-N 321.163 4.326 50 40 DIGB O=C(CCCl)Nc1nc(-c2ccccc2Cl)cs1 1791044 KTJAFYQNPBBDFX-UHFFFAOYSA-N 301.198 4.031 50 40 DIGB CC(C)OC(=O)c1cccc(-c2ccc(/C=C/C(=O)Cl)o2)c1 8729564 RASOBZFMLYBEFE-VQHVLOKHSA-N 318.756 4.290 50 40 DIGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cccc(Cl)c2Cl)n1 408978868 NYMSCBXFBKKVID-KPKJPENVSA-N 320.179 4.054 50 40 DIGB Cc1ccc2nc(/C(C#N)=C/c3cc(Cl)ccc3O)[nH]c2c1 5612444 IUALLWLXDWZCFE-KPKJPENVSA-N 309.756 4.295 50 40 DIGB COc1ccccc1C(=O)N/N=C(\C)c1ccc(C(C)(C)C)cc1 5829650 JATPIISHZUUBLW-KGENOOAVSA-N 324.424 4.147 50 40 DIGB CCOC(=O)/C(C#N)=C\c1cccc2ccc3ccccc3c12 8652349 GBDLXOLBTCIUMT-ATVHPVEESA-N 301.345 4.463 50 40 DIGB CSc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1 2795255 FNAJKRDYEBKWNS-RVDMUPIBSA-N 308.406 4.263 50 40 DIGB CCn1c(C)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c1C 6160421 BWZHFJZEIOXFAD-YBEGLDIGSA-N 304.397 4.374 50 40 DIGB O=C(CCl)Nc1nc(-c2cccc3ccccc23)cs1 6342611 FEKAAWIPCWXDKZ-UHFFFAOYSA-N 302.786 4.141 50 40 DIGB Cc1cccc(NNC(=O)Nc2ccc(Cl)c(Cl)c2)c1 9750798 PGWHROLGZYWROB-UHFFFAOYSA-N 310.184 4.450 50 40 DIGB N#C/C(=C/c1cc2c(cc1Cl)OCO2)c1ccc(C#N)cc1 17031874 HJAJTMUOMUUABQ-RZNTYIFUSA-N 308.724 4.005 50 40 DIGB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)CCl 216858467 ZCMPKGBJXDHNRC-UHFFFAOYSA-N 316.813 4.449 50 40 DIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cccs1 33775254 CSIHKUKNLQCYLA-FLIBITNWSA-N 302.786 4.256 50 40 DIGB CCOc1ccccc1/C=N/NC(=O)c1ccc(C(C)(C)C)cc1 512516 CJSKZXDKPGPHAJ-KGENOOAVSA-N 324.424 4.147 50 40 DIGB CC(C)c1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)cc1 2766132 CXQOGCIPWRHWDQ-SRZZPIQSSA-N 305.381 4.055 50 40 DIGB N#C/C(=C\c1cccc(F)c1)C(=O)Nc1ccccc1Cl 3222222 XUCPPGYCVALJFJ-XYOKQWHBSA-N 300.720 4.025 50 40 DIGB CC(=O)N(c1ccc(Cl)cc1)c1nc(CCl)cs1 36379761 GECYJZKMPBHCAZ-UHFFFAOYSA-N 301.198 4.220 50 40 DIGB COC(=O)[C@H](Cl)Cc1ccc(OCC2(C)CCCCC2)cc1 2540791 DVYYNRIKYRXTOM-MRXNPFEDSA-N 324.848 4.359 50 40 DIGB in-vitro CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 5597574 YDADSWLAAGHRAW-NTCAYCPXSA-N 324.355 4.160 50 40 DIGB Cc1ccc2c(Cl)c(C(=O)N/N=C\c3ccco3)sc2c1 33703013 NBBPBQVQAGJYKD-IUXPMGMMSA-N 318.785 4.220 50 40 DIGB COc1cccc(CSC(Nc2ccccc2)=C(C#N)C#N)c1 540942 FEZHBDRPZVAOPA-UHFFFAOYSA-N 321.405 4.299 50 40 DIGB C/C(=N/NC(=O)Cc1cccc2ccccc12)[C@@H]1C[C@H]2CC[C@@H]1C2 33896549 FSOLBJWJEBJTHW-FZNVHCRPSA-N 320.436 4.311 50 40 DIGB C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1cc(C)ccc1C 59922438 SSHBGJLYYBXGCY-XSFVSMFZSA-N 314.816 4.040 50 40 DIGB N#C/C(=C/c1ccc2ccccc2c1)C(=O)NCc1ccccc1 96663165 LCSHRCDPBRWDNF-MOSHPQCFSA-N 312.372 4.063 50 40 DIGB CCOc1ccc(/C=C(/C#N)c2cccc(C#N)c2)cc1OC 408565860 BPVOLTJMSHWFQO-MFOYZWKCSA-N 304.349 4.030 50 40 DIGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccccc2Cl)o1 4852324 ZKISAJHXCFKKHS-LUAWRHEFSA-N 301.729 4.070 50 40 DIGB N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1 6341888 IALDCXZNEJJDJW-XYOKQWHBSA-N 300.720 4.025 50 40 DIGB O=C(NN(c1ccccc1)c1ccccc1)c1cccc(F)c1 6785919 FOACKEMEAWUSLB-UHFFFAOYSA-N 306.340 4.309 50 40 DIGB O=C(CSCc1ccccc1Cl)NN=C1CCCCC1 20248393 SNJFFQHJDUOTPR-UHFFFAOYSA-N 310.850 4.010 50 40 DIGB N#C/C(=C/c1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1 211410613 ABRWVHPJBMGRQL-WQLSENKSSA-N 300.720 4.025 50 40 DIGB N#C/C(=C/c1ccc(Br)cc1)c1cccc(C#N)c1 408566945 JHAMEEQEJVLIJC-NVNXTCNLSA-N 309.166 4.385 50 40 DIGB CC(C)(C)c1ccc(OC(=O)/C(C#N)=C/c2ccccc2)cc1 143365 PCOLYUPYXWKIBT-DTQAZKPQSA-N 305.377 4.497 50 40 DIGB C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(Cl)s1 5494608 NNDWJDPACADBOD-MFHCDQJOSA-N 318.829 4.045 50 40 DIGB O=C(N/N=C/[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(Cl)c(Cl)c1 100335225 UEGQHEUVZMGNTE-ODAMLTKSSA-N 311.212 4.145 50 40 DIGB COc1cccc2c1N(C(=O)CCCCl)C(C)(C)C[C@@H]2C 223241029 BPHXNSDTKYAAMZ-LBPRGKRZSA-N 309.837 4.333 50 40 DIGB Cc1ccsc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 2776121 HLVHOOVAVLJGDI-DHZHZOJOSA-N 302.786 4.256 50 40 DIGB CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(C#N)cc2)c1C 96669706 HNAWPSGBZXCVBK-WQRHYEAKSA-N 317.392 4.177 50 40 DIGB N#CC(C#N)=Cc1ccc2c(ccn2Cc2cccc(F)c2)c1 409241881 ZEQSKGDIDBHYNU-UHFFFAOYSA-N 301.324 4.259 50 40 DIGB Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2sc2ccccc32)o1 201760 UHKNHDMPQZFNCF-CQSZACIVSA-N 308.362 4.021 50 40 DIGB N#C/C(=C\c1cnc2ccccc2n1)c1nc2ccccc2s1 8220543 RAXNAMAMJWXVHF-FMIVXFBMSA-N 314.373 4.304 50 40 DIGB CC(C)c1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 101730694 HKGLFMUAFWITHO-LFYBBSHMSA-N 311.337 4.337 50 40 DIGB CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(CC)cc2)cc1 216065185 LXAWEZJNQGUCSS-RCCKNPSSSA-N 324.424 4.192 50 40 DIGB N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cccc2ccccc12 5215168 DOTIBXMBXLKGHN-FOWTUZBSSA-N 314.344 4.091 50 40 DIGB O=C/C(=C1\C=Cc2cc([N+](=O)[O-])ccc2S1)c1ccccc1 16958531 XSQHXGFTMYMKMT-ICFOKQHNSA-N 309.346 4.324 50 40 DIGB CC(C)C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 4646908 XGSYGELJAQCVHF-DSDSSTPCSA-N 320.436 4.357 50 40 DIGB Cl[C@H](OCC(Cl)(Cl)Cl)C(Cl)(Cl)Cl 100352165 CSVWIQQJQWJBDO-UWTATZPHSA-N 315.238 4.308 50 40 DIGB O=C(N/N=C1/C[C@H]2C=CC[C@@H]12)c1sc2ccccc2c1Cl 6341804 VRNFDGYXLHWKDU-MUQLSNKQSA-N 316.813 4.237 50 40 DIGB CCOC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2)o1 4852323 SRXTWTGSJMYIOR-XFXZXTDPSA-N 301.729 4.070 50 40 DIGB C/C(=N\NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(C)o1 5618353 BIZZZCNIVNBBEG-RQZCQDPDSA-N 311.168 4.049 50 40 DIGB O=C(N/N=C/[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(Cl)c(Cl)c1 100335228 UEGQHEUVZMGNTE-UMQKZGDJSA-N 311.212 4.145 50 40 DIGB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](Cl)[C@H]2O 118932327 HSXDXEKWMMAMHT-IAMXYGRLSA-N 322.876 4.097 50 40 DIGB Cc1ccccc1C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 5748341 SVDDLWTWXZXWCX-GIJQJNRQSA-N 307.180 4.066 50 40 DIGB COc1ccc2[nH]cc(C(=O)/C(C#N)=C/c3cccs3)c2c1 40139908 RHXUONANFZCFQC-YRNVUSSQSA-N 308.362 4.028 50 40 DIGB CC(C)[C@@H](Br)C(=O)Nc1ccccc1C(F)(F)F 19265835 WPRMQAGAUOGBHD-SNVBAGLBSA-N 324.140 4.063 50 40 DIGB CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1F 40948904 PUPVXBPLYGIUDS-NTCAYCPXSA-N 324.355 4.160 50 40 DIGB C/C(=N\NC(=O)c1ccccc1C)c1ccc(C(C)(C)C)cc1 13586163 MUNSYHFPRLUNQH-RCCKNPSSSA-N 308.425 4.447 50 40 DIGB CC(C)(C)C(=O)/C(C#N)=C(\O)Nc1cccc(C(F)(F)F)c1 100073227 OCPHINHJRUQTHU-QBFSEMIESA-N 312.291 4.026 50 40 DIGB COc1ccc(/C(Cl)=C(\C=O)c2ccc(F)cc2)cc1OC 1617203 YJEALQZPDPVZST-VKAVYKQESA-N 320.747 4.149 50 40 DIGB COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cccc(C)c23)cc1 97152343 FUFWJKLMVPJHDK-XNTDXEJSSA-N 316.360 4.275 50 40 DIGB N#C/C(=C/c1ccccc1F)C(=O)Nc1ccc(Cl)cc1 6222206 CZSUMOVTURABLS-XFXZXTDPSA-N 300.720 4.025 50 40 DIGB Cc1ccc(OCC(=O)N/N=C2/CCCC[C@@H]2C)c(C(C)C)c1 35362832 ICUDBTIYFRPVPS-IENXAOORSA-N 316.445 4.180 50 40 DIGB O=C(Cl)c1ccc(Cl)c(-c2cc3ccccc3oc2=O)c1 218726803 BGNPMZCVKDYKRW-UHFFFAOYSA-N 319.143 4.492 50 40 DIGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1O 409389500 BPKBYLDRNOTIIV-XGICHPGQSA-N 303.720 4.257 50 40 DIGB O=C(CCCCCBr)c1cc(F)c(F)cc1F 575362558 YHNWVKPIBKUHMS-UHFFFAOYSA-N 309.125 4.242 50 40 DIGB Cc1ccc(/C=C(\C#N)c2nc(O)c3cc(C)ccc3n2)cc1 5072648 JSZOCJNFEDVTRE-XNTDXEJSSA-N 301.349 4.016 50 40 DIGB CCOc1ccc(/C=C(/C#N)Cn2cnc3ccccc32)cc1 408691498 AULPRXLQAAIPGQ-WJDWOHSUSA-N 303.365 4.042 50 40 DIGB O=C(CCCCl)c1cc(OC(F)(F)F)ccc1Cl 575361570 RRZSNLGFENRPNM-UHFFFAOYSA-N 301.091 4.440 50 40 DIGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c1 143426 FZTWHXJRDJDCEM-GZTJUZNOSA-N 320.392 4.364 50 40 DIGB CCCCO[C@@H](c1ccc2c(c1)OCO2)[C@@H](C)Br 1614615 NCEMSXOKWQLAJE-QMTHXVAHSA-N 315.207 4.057 50 40 DIGB O=C(CCl)c1ccc2c(c1)-c1cc(C(=O)CCl)ccc1C2 4141988 RSLKYBMHESSAFB-UHFFFAOYSA-N 319.187 4.101 50 40 DIGB O=C/C(=C1/C=Cc2cc([N+](=O)[O-])ccc2S1)c1ccccc1 1639344 XSQHXGFTMYMKMT-BMRADRMJSA-N 309.346 4.324 50 40 DIGB C[C@H](Cl)C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 13575146 GYOUKJGJXGFTIW-FBOQAHMBSA-N 319.813 4.210 50 40 DIGB Cc1sc2nc(/C(C#N)=C\c3ccccc3)nc(O)c2c1C 57547814 CDWBDZRIMCOODA-JYRVWZFOSA-N 307.378 4.078 50 40 DIGB O=C(N/N=C/c1ccc(-c2ccccc2)o1)c1cccc(Cl)c1 58822494 OJRSQJRJUWCOMW-UDWIEESQSA-N 324.767 4.364 50 40 DIGB O=C(CCl)Nc1cc(Cl)c(Cl)c(Cl)c1Cl 159439 YDMQPNUKFMSRAA-UHFFFAOYSA-N 307.391 4.478 50 40 DIGB COc1ccc(/N=C(\CCl)Nc2ccc(OC)cc2)cc1 1731884 NRKNKNVFAWEECZ-UHFFFAOYSA-N 304.777 4.085 50 40 DIGB C[C@H](NC(=O)/C(C#N)=C/C=C/c1ccccc1)c1ccccc1 2677665 KEZDFCFETCKQJQ-PDNPRENQSA-N 302.377 4.027 50 40 DIGB COc1ccc(/C(C)=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1 5370262 QCYREGLAQRSQHL-KGENOOAVSA-N 324.424 4.147 50 40 DIGB Cc1cc(C)c(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)c1 211825688 RLVLIIIDXIXMFN-LSPINASFSA-N 318.420 4.396 50 40 DIGB C/C(=N\NC(=O)Nc1ccccc1)c1ccc2ccccc2c1 4587700 GLUAOZKOYNUASJ-KGENOOAVSA-N 303.365 4.386 50 40 DIGB Cc1cccc(OP(=O)(c2ccccc2)c2ccccc2)c1 1728620 CRWZFIKUPVUVFU-UHFFFAOYSA-N 308.317 4.303 50 40 DIGB Cc1cc(C(=O)NN=C2CCCCCCC2)c2ccccc2n1 23080003 NQIFCRFOHYTMLS-UHFFFAOYSA-N 309.413 4.373 50 40 DIGB Cc1ccc(NC(=O)/C(C#N)=C\c2c(F)cccc2Cl)cc1 211452725 YQOPHVIDNYHDKS-XFXZXTDPSA-N 314.747 4.333 50 40 DIGB CCn1c(C)c(/C=N/NC(=O)c2cccc(C)c2)c2ccccc21 409259630 BSBGTLPBURRWCF-FYJGNVAPSA-N 319.408 4.042 50 40 DIGB Cc1ccc(N/C=C(/C=O)c2nc3cc(Cl)ccc3o2)cc1 5337374 PWMPHFFRQHDPMA-XFXZXTDPSA-N 312.756 4.442 50 40 DIGB COc1cccc(-c2nc3cc(CBr)ccc3o2)c1 216797330 WDYRITBEEVQDFS-UHFFFAOYSA-N 318.170 4.398 50 40 DIGB CCOc1cc(C)c(/C=N/NC(=O)c2ccccc2)cc1C(C)C 408856453 KFAMSJJGFOLEIB-FYJGNVAPSA-N 324.424 4.281 50 40 DIGB CC(C)(C)OC(=O)NCC(=CF)CO[Si](C)(C)C(C)(C)C 1857793544 KPBCMEXILSBGMZ-UHFFFAOYSA-N 319.493 4.386 50 40 DIGB N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)N1CCCCC1 272178 WSUFNYCFDYTUPS-NTCAYCPXSA-N 324.355 4.005 50 40 DIGB N#C/C(=C\c1ccc(F)c(F)c1)c1ccc(C(F)(F)F)cn1 12536329 YNGFLVJPEBWTNE-BJMVGYQFSA-N 310.225 4.443 50 40 DIGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)N1CCCc2ccccc21 122454 KFHPEOVFRPGFGS-FOWTUZBSSA-N 322.795 4.226 50 40 DIGB CC1CCN(c2ccc(NC(=O)[C@H](C)Cl)cc2Cl)CC1 34776757 DAUFJYRFFSWOSD-NSHDSACASA-N 315.244 4.142 50 40 DIGB CCOc1ccc(-c2ccc(/C=C/C(=O)Cl)o2)cc1[N+](=O)[O-] 16693035 STDWZVJOMNWGMU-VMPITWQZSA-N 321.716 4.032 50 40 DIGB O=C(CCl)Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 85565210 WERVHULHTTVOHP-UHFFFAOYSA-N 304.817 4.299 50 40 DIGB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NN=C1CCCCCC1 33377 NUVZWTSQSAGFFD-ZDUSSCGKSA-N 322.836 4.242 50 40 DIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1 5736351 APOOLTHLNFLTOS-NBVRZTHBSA-N 304.393 4.323 50 40 DIGB O=C(N[C@@H](Cl)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 19958512 ISQOTUAXYNOJAU-MRVPVSSYSA-N 321.418 4.005 50 40 DIGB Cc1cc(C)c(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)c1 485141 PPSBOFRRCHCRFW-VXLYETTFSA-N 300.789 4.029 50 40 DIGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccccc1 4280942 WDAYYCHJWUHGLY-UDWIEESQSA-N 324.767 4.364 50 40 DIGB ClCCN(CCCl)Cc1ccc(Cl)c(Cl)c1 1684839 AIIOOPQZGJBUBD-UHFFFAOYSA-N 301.044 4.273 50 40 DIGB BrCCOC1c2ccccc2CCc2ccccc21 2187452 YSWKHSZRWWFAOO-UHFFFAOYSA-N 317.226 4.286 50 40 DIGB N#CSc1ccc2c(c1)CCCN2C(=O)Nc1ccccc1 3177234 OYSBSYSOQDMGEM-UHFFFAOYSA-N 309.394 4.244 50 40 DIGB COc1ccc(C(=O)/C(C#N)=C\c2ccc(OC(C)C)cc2)cc1 97152233 JGOPEBZTLLZCBF-ATVHPVEESA-N 321.376 4.272 50 40 DIGB COc1cccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)c1 40139955 LZUYMVMSLJRNOQ-NTUHNPAUSA-N 320.323 4.105 50 40 DIGB C/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccccc2Cl)cc1 100420317 LPTUTTULCBOUPL-PTNGSMBKSA-N 312.756 4.301 50 40 DIGB COc1ccccc1/C=C/C=C(\C#N)c1nc2ccccc2[nH]1 12652177 DSVDGWIBMOYZFB-SKAFZBRJSA-N 301.349 4.192 50 40 DIGB N#C/C(=C/c1ccc(-c2cccc(F)c2)o1)C(=O)NC1CCCC1 409194171 NRKLIMHDYXJOLT-KAMYIIQDSA-N 324.355 4.051 50 40 DIGB Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1C1CCCCC1 561210 UDQBUBKNGRKYCD-BOPFTXTBSA-N 313.445 4.042 50 40 DIGB C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)o1 4306467 WUUIXHOOCKICNO-PHUCXXSHSA-N 310.328 4.088 50 40 DIGB C[C@@]12CC[C@H](c3nc4ccccc4nc31)[C@@]2(C)CBr 100745881 ZRRCOFSLOVSUTR-UHNFBRDESA-N 317.230 4.180 50 40 DIGB COc1ccc(/C=C(\C#N)c2nc(-c3ccccc3C)no2)cc1 9762222 NFOBOTHDNDFZRD-RVDMUPIBSA-N 317.348 4.118 50 40 DIGB N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 227207 RSDOZNOULWVFHY-XYOKQWHBSA-N 323.223 4.349 50 40 DIGB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](Cl)CCl 103527164 WUKSEPWXPNRVEU-REOHCLBHSA-N 316.978 4.301 50 40 DIGB Cc1cccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c1 408772756 FNLUOJLCHXNVJK-BOPFTXTBSA-N 320.392 4.328 50 40 DIGB O=C(NN=C(C1CC1)C1CC1)c1sc2ccccc2c1Cl 96405 JXIQXFYUQVKSMW-UHFFFAOYSA-N 318.829 4.461 50 40 DIGB Cc1[nH]cnc1/C=C(\C#N)c1nc2cc(Cl)ccc2s1 96295450 XRFHEZWPDZYGEZ-RUDMXATFSA-N 300.774 4.045 50 40 DIGB Cc1ccc(CC(=O)N/N=C(/c2ccccc2)C(C)C)cc1C 408588809 JTQHVBCUASKUHS-LSDHQDQOSA-N 308.425 4.022 50 40 DIGB COc1ccccc1[P@@](=O)(Cc1ccccc1)c1ccccc1 520119 CNRGWAYTJCFYON-HSZRJFAPSA-N 322.344 4.209 50 40 DIGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 36092803 HAOSRTVBOZMNRK-GHXNOFRVSA-N 300.701 4.018 50 40 DIGB O=C(Cl)Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 41127130 BSGLVSLZDQNKIR-UHFFFAOYSA-N 306.148 4.456 50 40 DIGB Cc1ccc(N2C(=O)c3ccccc3N[C@]2(C)CCl)cc1 152612 ZHWSMZIPTHEVFQ-KRWDZBQOSA-N 300.789 4.022 50 40 DIGB in-vitro COc1cc(/C=C(\C#N)c2nc(C)cs2)cc(Cl)c1OC 8079706 ABEOUUYOMHATMA-NYYWCZLTSA-N 320.801 4.186 50 40 DIGB CC1=C(C#N)C(/C=C(\Cl)c2ccc(F)cc2)C(C#N)=C(C)N1 19691789 RNHZSKZFHNXQEG-IDUWFGFVSA-N 313.763 4.220 50 40 DIGB CC(C)c1ccccc1NC(C#N)=C1C(=O)c2ccccc2C1=O 148228 XJMSTDDCGJGXCQ-UHFFFAOYSA-N 316.360 4.079 50 40 DIGB O=C(O)CC12C[C@@H]3C[C@@H](C1)CC(P(=O)(Cl)Cl)(C3)C2 102967123 ILBVISJVVLBEQS-CRRMYELQSA-N 311.145 4.471 50 40 DIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccsc1 59133133 TUUYHFGCJRZBEJ-GHXNOFRVSA-N 302.786 4.256 50 40 DIGB C[C@@H]1C/C(=N\NC(=O)c2cc3ccccc3cc2O)CC(C)(C)C1 6586119 XVRPVEIJQWLUAU-IQQDNESTSA-N 324.424 4.477 50 40 DIGB C/C(=N\NC(=O)c1cccnc1)c1ccc(C2CCCCC2)cc1 16044926 VKLROAQPSRWNET-PXLXIMEGSA-N 321.424 4.283 50 40 DIGB COc1ccccc1NC(=O)CCCC[C@@H]1CCSS1 34045761 WSBKRQNNXVSXST-GFCCVEGCSA-N 311.472 4.348 50 40 DIGB biogenic C/C(=N/NC(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2 1513587 DYXMMTQFEOLCRI-WQRHYEAKSA-N 302.443 4.070 50 40 DIGB CC/C(=N\NC(=O)NC1CCCCC1)c1cccc(Cl)c1 5445967 BKCSAQMKKDWWTL-XDJHFCHBSA-N 307.825 4.086 50 40 DIGB N#CC(C#N)=CNc1nc(-c2ccc3c(c2)CCCC3)cs1 6881680 CCFLVJOMKPJXKJ-UHFFFAOYSA-N 306.394 4.032 50 40 DIGB Fc1c(Cl)ccc(Br)c1CBr 98210417 OOMIPLMFXHBMQC-UHFFFAOYSA-N 302.368 4.137 50 40 DIGB Cc1cc(C)c(O)c(CN(C[C@H](C)Cl)C[C@@H](C)Cl)c1 1701302 MRONGWSWMIJAPR-BETUJISGSA-N 304.261 4.066 50 40 DIGB CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1C 6936605 PFBJJBPTVSGROY-GHRIWEEISA-N 320.392 4.330 50 40 DIGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1c(F)cccc1Cl 7157992 TZAOVULZUWRPIG-ZJYAJDOYSA-N 320.795 4.081 50 40 DIGB O=C(O)[C@H]1CNc2ccc(S(F)(F)(F)(F)F)cc2C1 110749810 SMGQVHQRJOOJQJ-SSDOTTSWSA-N 303.252 4.013 50 40 DIGB CCN(CC)c1ccc(C(=O)N/N=C(\C)CCC(C)C)cc1 4869336 AZKKMUZFUFGCAH-XDJHFCHBSA-N 303.450 4.075 50 40 DIGB C/C(Cc1ccccc1)=N\NC(=O)c1ccc(C(C)(C)C)cc1 15938368 BYVAUEMEUKCZAE-RCCKNPSSSA-N 308.425 4.333 50 40 DIGB COc1ccc(C(=O)N/N=C(\C)c2cccc3ccccc23)cc1 409270709 HIVBMFZPRYWJTE-KGENOOAVSA-N 318.376 4.002 50 40 DIGB CSc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 33408360 YYQVQZHCKQIBBF-PTNGSMBKSA-N 308.406 4.263 50 40 DIGB N#C/C(=C/c1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 33757729 OBDKFRPJCZBMIY-ZSOIEALJSA-N 317.266 4.468 50 40 DIGB Cc1nn(-c2nc3c(C)ccc(C)c3s2)c(C)c1C(=O)Cl 57351378 GSUGDNBOTIEKDI-UHFFFAOYSA-N 319.817 4.095 50 40 DIGB CC(C)(C)c1ccc2[nH]c(=O)c(CCCBr)cc2c1 71405500 WJENVUUYOGVTEV-UHFFFAOYSA-N 322.246 4.153 50 40 DIGB C#CCn1cc(/C=C(\C#N)c2cccc(C#N)c2)c2ccccc21 107728180 BNFXPOUFZPKWLB-LDADJPATSA-N 307.356 4.210 50 40 DIGB O=C(CCCC[C@@H]1CCSS1)NC[C@H]1C[C@@H]2C=C[C@H]1C2 218070261 BJUZESCPJTXVCS-LXTVHRRPSA-N 311.516 4.029 50 40 DIGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccccc1F 5129689 ZFNLXLVRWZENMS-FMIVXFBMSA-N 300.720 4.025 50 40 DIGB CCSc1ccccc1NC(=O)/C(C#N)=C/c1ccc(C)o1 96346525 YWZIHYOTEHUVRW-JLHYYAGUSA-N 312.394 4.246 50 40 DIGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)O 101293 RGOSTXNBRXNEPZ-VMPITWQZSA-N 308.120 4.245 50 40 DIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)cc2)cc1 262637 XHDAPIVTIOKHJP-SFQUDFHCSA-N 320.392 4.328 50 40 DIGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1 3614205 DCODHZQAZLKFRK-GHRIWEEISA-N 320.392 4.330 50 40 DIGB Cc1ccc(-c2ccc(C=C(C#N)C#N)o2)cc1Br 10434523 PQZVTIVBAALYKJ-UHFFFAOYSA-N 313.154 4.448 50 40 DIGB Cc1ccc(CSCC(=O)NN=C2CCCCCCC2)cc1 59401605 MQDVEKVJXLKCPD-UHFFFAOYSA-N 318.486 4.445 50 40 DIGB CCc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 214073124 INGGYAKIYNDURH-PDGQHHTCSA-N 304.393 4.412 50 40 DIGB N#C/C(=C/c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1 12339060 QYEUAMZGJYWBCM-FLIBITNWSA-N 302.692 4.451 50 40 DIGB CC(C)(C)c1ccc(C(=O)N/N=C/c2cccc(Cl)c2)cc1 2080817 BUVQLXMRGLGFPO-UDWIEESQSA-N 314.816 4.401 50 40 DIGB CCC(C)(C)OOC(C)(C)C#C[C@@]1(O)C[C@H]2C[C@@H]1[C@H](C)C2(C)C 70686487 QSEHPXZLHGUBIT-QCBUCWTNSA-N 322.489 4.338 50 40 DIGB O=C(Nc1ccccc1C(F)(F)F)O/N=C(/Cl)CCl 100405972 MSCCQAZNRMGDGY-CAOOACKPSA-N 315.078 4.045 50 40 DIGB O=C(CCc1ccccc1)N/N=C/c1ccc(Cl)cc1Cl 59661 DYUYUORCQVJDAP-YBFXNURJSA-N 321.207 4.076 50 40 DIGB O=C(N/N=C/[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(Cl)cc1Cl 974938 IHWVROKCASYHCP-ZVXFZPMLSA-N 311.212 4.145 50 40 DIGB CCCCNC(=O)NNc1c(Cl)cc(Cl)cc1Cl 2640217 ZMEFZZQTGRUBEC-UHFFFAOYSA-N 310.612 4.073 50 40 DIGB CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(Cl)c1O 107828652 QOGLIPVOCKVJJY-CHHVJCJISA-N 324.767 4.380 50 40 DIGB N#C/C(=C/c1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1 409083503 BDZQWZAUORZPHW-ATVHPVEESA-N 324.811 4.241 50 40 DIGB C[C@H](c1ccccc1)C(CBr)CBr 1685153 DPXMRLRBICVLDK-SECBINFHSA-N 306.041 4.196 50 40 DIGB CC(/C=C/c1ccccc1)=N/NC(=O)[C@H](C)Nc1ccc(C)cc1 4619322 RQTBIRUIUVVLOE-QEBNWIPNSA-N 321.424 4.001 50 40 DIGB CC(C)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1 408600222 AKGCWFFEMSHTGN-SFQUDFHCSA-N 320.392 4.267 50 40 DIGB CC(C)C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 4646909 XGSYGELJAQCVHF-WEOVMKDHSA-N 320.436 4.357 50 40 DIGB C/C(Cc1ccccc1)=C(\C#N)C(=O)Nc1ccc(C)cc1C 130360 MYYIJOUGFUYCKB-SDXDJHTJSA-N 304.393 4.325 50 40 DIGB CC(C)(CCl)c1nc(-c2ccc(OC(F)(F)F)cc2)no1 165915 UZUZQUKCJVFBNE-UHFFFAOYSA-N 320.698 4.152 50 40 DIGB Cc1ccc(Cl)cc1N/C=C(\C#N)C(=O)Nc1ccccc1 57414036 KFYOVPCIFZQOTP-ACCUITESSA-N 311.772 4.107 50 40 DIGB Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1 408786278 OBUXCSIQDSCOEQ-BOPFTXTBSA-N 320.392 4.328 50 40 DIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(C)C)cc1 140218 ALXCCTCQBUSUKF-FOWTUZBSSA-N 320.392 4.364 50 40 DIGB N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)N1CCCCCC1 1104957 XKYCXOFZSXFIPR-UKTHLTGXSA-N 323.223 4.303 50 40 DIGB CCOC(=O)/C(C#N)=C(\C)c1cccc(OCc2ccccc2)c1 2518300 POCJKZQESXHRQB-XDJHFCHBSA-N 321.376 4.126 50 40 DIGB CCCC[C@H](Cl)CP(=O)(N1CCCC1)N1CCCC1 3169452 QCXYBVRKASEGMY-AWEZNQCLSA-N 306.818 4.169 50 40 DIGB CCC(C)(C)C1CCC(=NNC(=O)c2ccc(O)cc2)CC1 5428447 MSOWNQGCBGIIMY-UHFFFAOYSA-N 302.418 4.104 50 40 DIGB C/C(=N\NC(=O)CCc1ccccc1)c1ccc2ccccc2c1 12362288 GFGUVJFJUCLPKF-CJLVFECKSA-N 316.404 4.313 50 40 DIGB N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(C#N)c1 408569269 ZXMGJMSJWQCJNW-NSIKDUERSA-N 309.712 4.184 50 40 DIGB Fc1c(Cl)cc(Br)cc1CBr 575676779 VSDOTDVEJGNTPJ-UHFFFAOYSA-N 302.368 4.137 50 40 DIGB Cc1ccc(OP(=O)(c2ccccc2)c2ccccc2)cc1 1728619 MXUTXGVBQWSBJT-UHFFFAOYSA-N 308.317 4.303 50 40 DIGB Cc1ccc(C(=O)N/N=C/[C@H](C)c2ccccc2)c(Cl)c1 4827518 ARTRJPBHLVLBJR-MDBUFAAASA-N 300.789 4.168 50 40 DIGB COc1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1 76536859 FEJGFXUQWFTDFV-XNTDXEJSSA-N 303.365 4.253 50 40 DIGB O=C(N/N=C1\CC2C[C@H]3CC1C[C@H](C2)C3)[C@@H]1C[C@H]1c1ccccc1 104800670 XZHMXVPECLRWSD-MRSYQJQZSA-N 322.452 4.109 50 40 DIGB O=C(O)[C@@H]1CNc2cc(S(F)(F)(F)(F)F)ccc2C1 110749829 NLEPZGBJQYILAR-ZETCQYMHSA-N 303.252 4.013 50 40 DIGB N#C/C(=C\c1ccc(Cl)cc1)c1nc(O)c2ccccc2n1 4339083 NKDNNYIWEHNPBU-FMIVXFBMSA-N 307.740 4.053 50 40 DIGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc([C@@H]2C[C@@H]2C)o1 4887994 HYBPRGIWENOKQC-OWBOGUFISA-N 306.365 4.257 50 40 DIGB CCOC(=O)N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1 179193 PDLZSUPQSXXDQP-CXUHLZMHSA-N 324.789 4.164 50 40 DIGB O=C(O)CC12C[C@@H]3C[C@H](C1)CC(P(=O)(Cl)Cl)(C3)C2 97983074 ILBVISJVVLBEQS-LRSDLPTKSA-N 311.145 4.471 50 40 DIGB CCCCCCCCNC(=O)/C(C#N)=C/c1ccc(C)s1 103010279 DBZHOYWFADEQHO-NTCAYCPXSA-N 304.459 4.440 50 40 DIGB CC1(C)[C@@]2(C)CC[C@]1(c1ccccc1)[C@@H](Br)C2=O 225805005 ZHTZCIKTGQWAAG-RCBQFDQVSA-N 307.231 4.097 50 40 DIGB Cc1c(/C=C(/C#N)C(=O)Nc2ccccc2)c2ccccc2n1C 408741864 LQQQTDYRLYLXBV-QINSGFPZSA-N 315.376 4.032 50 40 DIGB CC(C)OC(=O)COc1ccc(/C=C(\C#N)c2ccccc2)cc1 409188389 YVSUMBYHDCTAIV-LDADJPATSA-N 321.376 4.081 50 40 DIGB CC(C)c1cc(Br)cc(C(=O)CBr)c1 1083811071 SONQIZNIQJMNBK-UHFFFAOYSA-N 320.024 4.150 50 40 DIGB CC(C)(C)C1CCC(=NNC(=O)CCc2ccccc2)CC1 5383590 UVAQLROXPMJUNV-UHFFFAOYSA-N 300.446 4.328 50 40 DIGB C[C@H]1CCc2nc(/C(C#N)=C\c3ccc(N(C)C)cc3)sc2C1 33423450 CEVCVTDJRWVCKL-WZMONFQBSA-N 323.465 4.398 50 40 DIGB CCc1ccc(C(=O)Oc2c(C)cc(C(=O)Cl)cc2C)cc1 218715781 YKJWXHIGCCXIED-UHFFFAOYSA-N 316.784 4.464 50 40 DIGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(C#N)cc1 409367933 OKCWGIBZYMTMOK-AUWJEWJLSA-N 309.712 4.184 50 40 DIGB Cc1ccc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)s1 45917 JTRRRORNYICABH-DEDYPNTBSA-N 320.417 4.487 50 40 DIGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 44013633 ZEUZBTTTXUREEE-RVDMUPIBSA-N 324.355 4.159 50 40 DIGB CCCOc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2)c1 53102643 LUVGJCFDXJBVQM-VBKFSLOCSA-N 306.365 4.021 50 40 DIGB Fc1c(Br)ccc(CBr)c1Cl 575674685 CCMIMRKCJWLTBM-UHFFFAOYSA-N 302.368 4.137 50 40 DIGB O=C(CC12CC3CC(CC(C3)C1)C2)N/N=C/C=C/c1ccco1 4651658 KTDFLWXVSMRTRO-MIPNKHLUSA-N 312.413 4.001 50 40 DIGB CC/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1ccccc1 4897914 COFOUFKWIVYIMW-RELWKKBWSA-N 317.392 4.087 50 40 DIGB CC[C@H](Nc1ccc(Cl)cc1)C(=O)NN=C1CCCC[C@H]1C 5909197 QHPKZVZVZFRKMA-DOMZBBRYSA-N 321.852 4.213 50 40 DIGB CCN(CC)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)o1 12363675 NBIKHBJYZNVEFO-ACCUITESSA-N 306.369 4.066 50 40 DIGB Cc1cc(C(=O)Cl)cc(C)c1OC(=O)c1ccc(F)cc1 256049758 BHYALRHYZNJKFV-UHFFFAOYSA-N 306.720 4.041 50 40 DIGB CC(=C\c1ccccc1)/C=C(\C#N)C(=O)Nc1ccccc1C 447724 YREKDZZHHANBOW-PYEASBQRSA-N 302.377 4.487 50 40 DIGB Cc1ccc(-c2csc(/C(C#N)=C\c3csnn3)n2)cc1 58184038 QELKPQOOGWFPRE-SDQBBNPISA-N 310.407 4.034 50 40 DIGB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)c1ccc(Cl)cc1 101711370 MKDGBIMLFMXSIF-RDUZZNEKSA-N 302.805 4.048 50 40 DIGB CCOC(=O)c1ccccc1C(=O)[C@@H](Cl)c1ccccc1 575361863 OGQYPYQYGSNASA-HNNXBMFYSA-N 302.757 4.026 50 40 DIGB Cc1c(Cl)cccc1N/C=C(\C#N)C(=O)Nc1ccccc1 57414031 LHIROGPPMOLLTE-ACCUITESSA-N 311.772 4.107 50 40 DIGB Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2sc2ccccc32)o1 201757 UHKNHDMPQZFNCF-AWEZNQCLSA-N 308.362 4.021 50 40 DIGB COc1cc(/C=C(\C#N)c2ccc3ccccc3n2)ccc1O 5447340 WRJDVUUJTXJKBJ-XNTDXEJSSA-N 302.333 4.013 50 40 DIGB O=C(N/N=C/c1ccc(Oc2ccccc2)cc1)c1ccccc1 5681214 LKHLASDJMTVSEG-RCCKNPSSSA-N 316.360 4.243 50 40 DIGB Cc1ccc(NC(=O)N/N=C\c2ccc(Cl)s2)c(C)c1 408965538 IMTODEUMWWSOJP-PXNMLYILSA-N 307.806 4.174 50 40 DIGB COc1ccc(-c2nc(/C=C(\C#N)c3ccccn3)cs2)cc1 12534787 VGGSXGJWQFZVLP-GXDHUFHOSA-N 319.389 4.278 50 40 DIGB Cc1cc(C)c(S(=O)(=O)C[C@H](Cl)c2ccccc2)c(C)c1 16954615 UTKPPSFDXPLIGT-INIZCTEOSA-N 322.857 4.366 50 40 DIGB CCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104103909 OFRQDOWTZJNPHH-UHFFFAOYSA-N 306.389 4.123 50 40 DIGB C#[N+]N=P(c1ccccc1)(c1ccccc1)c1ccccc1 104238392 QUJGGUWYOOXCCI-UHFFFAOYSA-N 303.325 4.042 50 40 DIGB N#CS[C@]1(Cl)C(=O)c2ccccc2OC12CCCCC2 19909232 UGNVNLBUAMOUGJ-OAHLLOKOSA-N 307.802 4.114 50 40 DIGB Fc1ccc(Br)c(Cl)c1CBr 88285305 KWHHSJJVFHZARS-UHFFFAOYSA-N 302.368 4.137 50 40 DIGB CCc1ccc(CC(=O)N/N=C/c2cccc3ccccc23)cc1 409362468 GIMPXDKHKYLMSP-PXLXIMEGSA-N 316.404 4.095 50 40 DIGB N#C/C(=C\c1cccs1)C(=O)Nc1cccc(C(F)(F)F)c1 568201 UMAFMOSWSFWVOO-JXMROGBWSA-N 322.311 4.313 50 40 DIGB Cc1ccc(/C=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)s1 4651622 BCEUSDZFTBHEPI-YBFXNURJSA-N 316.470 4.113 50 40 DIGB C/C(=N\NC(=O)[C@H](C)Sc1ccc(C)cc1)c1cccs1 409142260 XGBTVMBNGIGZAC-VLURKWGBSA-N 318.467 4.078 50 40 DIGB CCOC(=O)c1cccc(C(=O)[C@H](Cl)c2ccccc2)c1 575362394 YKOXPFKNJLUAHV-OAHLLOKOSA-N 302.757 4.026 50 40 DIGB CC/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(C)cc1 5384912 CWBYIRJMDDMUNT-AVQLDBEESA-N 306.409 4.029 50 40 DIGB CC1CCN(/C(=C\C=C(C#N)C#N)c2ccc(Cl)cc2)CC1 16609143 SRZLFNSTZYWZMI-WSVATBPTSA-N 311.816 4.386 50 40 DIGB Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)o1 33384725 IKXAPXLKGLHUHR-XFFZJAGNSA-N 320.270 4.153 50 40 DIGB CC/C(C)=N/NC(=O)CCCOc1ccc(Cl)cc1Cl 5163285 YASZBWOEPNZESL-LICLKQGHSA-N 317.216 4.055 50 40 DIGB N#CC(C#N)=Cc1cn(Cc2ccccc2F)c2ccccc12 5740954 BJJKYWCAHZNPKC-UHFFFAOYSA-N 301.324 4.259 50 40 DIGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)c2ccccc2F)cc1 40139826 GPQNHCKRRULUOU-RVDMUPIBSA-N 309.340 4.403 50 40 DIGB CCOP(=O)(OCC)/C(C#N)=C1\Sc2ccccc2N1C 4015949 BMOKJFFVZZEJQD-OWBHPGMISA-N 324.342 4.187 50 40 DIGB CC(=O)c1ccc(N/C=C(/C#N)c2nc3ccccc3o2)cc1 5260826 MXGFXAMGVCNNIY-KAMYIIQDSA-N 303.321 4.007 50 40 DIGB COC(=O)c1cc(/C=C(\C#N)c2nc3ccccc3s2)oc1C 14142008 AEWUTIWLHRHGOR-YRNVUSSQSA-N 324.361 4.049 50 40 DIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)o1 143977 XNDKIIGBKMVOSA-RVDMUPIBSA-N 302.333 4.287 50 40 DIGB O=C(N/N=C/c1cccc2ccccc12)c1ccc(Cl)cc1 588125 QTONMYODJBGDNU-UDWIEESQSA-N 308.768 4.257 50 40 DIGB O=C(N/N=C1\CC2C[C@H]3CC1C[C@@H](C2)C3)[C@@H]1C[C@@H]1c1ccccc1 16478328 XZHMXVPECLRWSD-RULWNFETSA-N 322.452 4.109 50 40 DIGB Cn1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c2ccccc21 408570509 WDNMUCRBPQBNAG-WQLSENKSSA-N 316.339 4.258 50 40 DIGB N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1cccc(Cl)c1 141703 DHIRGBCZCSTWED-XYOKQWHBSA-N 321.767 4.367 50 40 DIGB O=C(N/N=C/c1c(Cl)cccc1Cl)Nc1ccccc1 493599 AJVBPXBNPPSVNW-RQZCQDPDSA-N 308.168 4.149 50 40 DIGB COc1ccc(Cl)cc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1 8159645 BMVYSAYTNKDKMS-JYRVWZFOSA-N 314.728 4.321 50 40 DIGB Cc1cc(OCC(=O)NN=C2CCCCCCC2)ccc1Cl 78531825 XGLSPMNSVFAFET-UHFFFAOYSA-N 322.836 4.244 50 40 DIGB FS(F)(F)(F)(F)[C@@H](Br)CBr 97949918 LZUQIBYDTPQHIK-UWTATZPHSA-N 313.911 4.401 50 40 DIGB NC[C@@H](CCBr)C(c1ccccc1)c1ccccc1 199749471 WSNXFWYWWDJVRO-MRXNPFEDSA-N 318.258 4.178 50 40 DIGB C/C(=N\NC(=O)CSCc1cccc(Cl)c1)C(C)(C)C 408773253 HQPADZUFSGFCEW-GZTJUZNOSA-N 312.866 4.111 50 40 DIGB O=C(N/N=C/c1ccc(Oc2ccccc2)cc1)c1cccs1 2637704 LSPYZTWLRZGYRZ-CPNJWEJPSA-N 322.389 4.304 50 40 DIGB CN(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 3168468 NHNIVHQWYXZGSI-UHFFFAOYSA-N 307.333 4.052 50 40 DIGB Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1C1CC1 5072740 YJTOROZSCGNAJX-XNTDXEJSSA-N 302.381 4.380 50 40 DIGB CC1(C)OC12[C@H]1c3ccccc3[C@H]2[C@H]2[C@@H](Cl)C=C[C@@H](Cl)[C@@H]21 104292035 YVVUKDJPPRPXMP-ZVVNRHSJSA-N 321.247 4.446 50 40 DIGB N#C/C(=C\c1ccc(Br)cc1)C(=O)c1ccsc1 44028095 HAKVVBJBQBKSGT-KPKJPENVSA-N 318.195 4.300 50 40 DIGB C[Si](C)(CCl)Oc1cccc(O[Si](C)(C)CCl)c1 195754654 WDQWZASYSJFRSG-UHFFFAOYSA-N 323.368 4.410 50 40 DIGB C[Si](C)(C)O[C@]1(C(F)(F)F)CCc2ccc([N+](=O)[O-])cc21 1857794208 XHAVOTFBUGEXIY-GFCCVEGCSA-N 319.355 4.150 50 40 DIGB N#C/C(=C/c1cccn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 7098023 HVLVFJRIODWTMJ-SSZFMOIBSA-N 315.332 4.450 50 40 DIGB C/C(=N\NC(=O)Cc1ccc(C)c(C)c1)c1ccc(C)c(C)c1 14134594 IJJBPEKKVNTDDG-HEHNFIMWSA-N 308.425 4.003 50 40 DIGB COc1ccccc1/C=C(\C#N)C(=O)c1c[nH]c2cc(F)ccc12 44027048 KLBUUUULIMNXRY-MDWZMJQESA-N 320.323 4.105 50 40 DIGB COc1ccc(/C(C#N)=C2/C=C(Cl)/C(=N/O)C=C2Cl)cc1 100405548 QMLYOPFBIJNSGD-BDXFUOSDSA-N 321.163 4.062 50 40 DIGB CCOC(=O)c1ccc(C(=O)[C@@H](Cl)c2ccccc2)cc1 575361685 FWXAXJYWTCQEEU-HNNXBMFYSA-N 302.757 4.026 50 40 DIGB CCn1c(=O)c(/C=C(\C#N)c2ccccc2)cc2ccccc21 36625735 BADKSDMPQWLNKV-QGOAFFKASA-N 300.361 4.086 50 40 DIGB CC(C)c1ccc([C@@H]2NC(=S)NC(C(C)(C)C)=C2C#N)cc1 409369110 CTBBGBWIUGQDKR-HNNXBMFYSA-N 313.470 4.153 50 40 DIGB Cc1ccc(-c2c(C)sc3nc(CCl)[nH]c(=O)c23)cc1 2616119 PIDCUBRSOYBWRH-UHFFFAOYSA-N 304.802 4.007 50 40 DIGB O=C(N/N=C\c1ccc(Cl)c(Cl)c1)Nc1ccccc1 34910315 NDCRBPSFVMZAAX-MFOYZWKCSA-N 308.168 4.149 50 40 DIGB CCCOc1ccc(Br)cc1/C=C/C(=O)Cl 62715819 FBRHFOUPUPKIHB-ZZXKWVIFSA-N 303.583 4.017 50 40 DIGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1F 110217791 BOJLPVBDPHMEBM-XFFZJAGNSA-N 302.692 4.451 50 40 DIGB Cc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)c1C 408878627 ADKQFLIACSYFSR-VXLYETTFSA-N 300.789 4.029 50 40 DIGB CC(C)(C)c1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1 43352 KGCIWOQHDFHMGS-LPYMAVHISA-N 319.408 4.229 50 40 DIGB CCOC(=O)N/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O 1713023 XUDLCPLPRKGUBZ-YBFXNURJSA-N 320.433 4.067 50 40 DIGB CCCc1ccc(/C(C)=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1 6046102 YTTWFUDPHLIIGY-MMKSPSFCSA-N 320.436 4.283 50 40 DIGB N#C/C(=C\c1cccc(O)c1)C(=O)c1c[nH]c2cc(Cl)ccc12 44027392 TUQBTOMKMZQJHW-WUXMJOGZSA-N 322.751 4.317 50 40 DIGB COc1ccc(-n2c(C)cc(C=C(C#N)C#N)c2C)cc1Cl 409067385 XWSRZQLRVXVZJN-UHFFFAOYSA-N 311.772 4.187 50 40 DIGB Cc1ccc(NC(=O)N/N=C/c2ccc(Cl)s2)cc1C 4743539 FNMKBPNCHTXRCU-LZYBPNLTSA-N 307.806 4.174 50 40 DIGB C[C@H]1N(C)c2ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc2C1(C)C 12563496 VLRUBHFXZYCXJI-QQFZQELXSA-N 310.441 4.325 50 40 DIGB Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc2c1O[C@H](C)C2 27516715 KPSHGUQFMRBXBC-BVTUPMQUSA-N 315.376 4.259 50 40 DIGB C[C@@H](Cl)C(=O)Nc1ccc(N2CCCCCC2)c(Cl)c1 34776863 XAOYESSMYKNYGR-LLVKDONJSA-N 315.244 4.286 50 40 DIGB N#C/C(=C/c1ccccc1[N+](=O)[O-])Sc1nc2ccccc2[nH]1 408599233 QKPDWSJIDPILKZ-XFXZXTDPSA-N 322.349 4.128 50 40 DIGB CC(/C=C/c1ccccc1)=N\NC(=O)[C@H](C)Nc1ccc(C)cc1 15931079 RQTBIRUIUVVLOE-AFADEGMXSA-N 321.424 4.001 50 40 DIGB C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc(Cl)s1 5621009 RSCUCVPVVUSBAD-GIJQJNRQSA-N 317.801 4.037 50 40 DIGB O=C(/C=C/c1ccc(F)cc1)c1ccc(O)c(CCCl)c1 12980722 GXWOUHYXURXGSY-XVNBXDOJSA-N 304.748 4.209 50 40 DIGB COc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)cc1OC 4853297 YVYKFLONOUENGR-QPEQYQDCSA-N 312.394 4.102 50 40 DIGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3)o2)cc1 5698608 PUSJKAJMPOCMNG-DEDYPNTBSA-N 304.349 4.019 50 40 DIGB CCC(CC)=NNC(=O)c1ccc(NN=C(CC)CC)cc1 7422100 NNXVLIGNJFDWSE-UHFFFAOYSA-N 302.422 4.180 50 40 DIGB N#Cc1ccc(Cl)cc1C(Br)Br 59736548 AEKMUGCWZHRWCI-UHFFFAOYSA-N 309.388 4.000 50 40 DIGB CCOC(=O)c1sc2cccc(F)c2c1CBr 4206681 VLWGPIATBMFMEW-UHFFFAOYSA-N 317.179 4.112 50 40 DIGB CC[C@@H](C)c1ccc(-c2cc(C(=O)NN)c3ccccc3n2)cc1 2769691 SOODXQBAIBXKNZ-CYBMUJFWSA-N 319.408 4.019 50 40 DIGB S=C=NC[C@@H]1C[C@]2(Cl)C[C@@]1(Cl)C(Cl)=C2Cl 4683820 BEUGPYCXRWCVEJ-HQLVHBAOSA-N 303.041 4.157 50 40 DIGB N#C/C(=C\c1c(O)ccc2ccccc12)c1nc2ccccc2[nH]1 5286539 PYTQRGCJMIHDGS-SDNWHVSQSA-N 311.344 4.486 50 40 DIGB CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2c(C)cccc2C)c1C 408996015 CNETYEDRXDVPLT-WOJGMQOQSA-N 322.408 4.181 50 40 DIGB CC[C@H](CC(=O)N/N=C/C=C/c1ccccc1)c1ccccc1 9191455 BUMBDKFPDSPTAK-VLJBEOHUSA-N 306.409 4.386 50 40 DIGB CC(C)(C)c1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1 1450968 WELREXLOHKBMBV-DTQAZKPQSA-N 310.441 4.340 50 40 DIGB Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N/N=C/c1ccccc1 3167100 XXGMDACFEAIWFZ-REIAIGDLSA-N 324.424 4.036 50 40 DIGB Cc1cccc2[nH]cc(C(=O)/C(C#N)=C\c3ccc(F)cc3)c12 40139889 VHEDGWDDBWUSOL-ZROIWOOFSA-N 304.324 4.405 50 40 DIGB N#C/C(=C/c1ccccc1)c1nc(O)c2ccc(Cl)cc2n1 57996486 WEPBNRAVEDHMCT-WQLSENKSSA-N 307.740 4.053 50 40 DIGB O=C(CCl)c1ccc(Cc2ccc(C(=O)CCl)cc2)cc1 59720707 CDBMYPVFVPEVAK-UHFFFAOYSA-N 321.203 4.120 50 40 DIGB COc1cccc2c1N(C(=O)CCCCl)C(C)(C)C[C@H]2C 223241095 BPHXNSDTKYAAMZ-GFCCVEGCSA-N 309.837 4.333 50 40 DIGB COc1cc(/C=C(\C#N)c2nc(C)cs2)ccc1SC 96313950 GFRQZPLXJVVYMF-WUXMJOGZSA-N 302.424 4.246 50 40 DIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1c(F)cccc1Cl 211438138 GTRWMOWFGZEKAE-XFXZXTDPSA-N 314.747 4.333 50 40 DIGB Cc1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cc1 58867 RHGGNZOUBMLXFF-UHFFFAOYSA-N 302.377 4.478 50 40 DIGB C[C@H](CN1CCCCC1)SS[C@H](C)CN1CCCCC1 1666675 BWDJDIXFZROUAO-HZPDHXFCSA-N 316.580 4.117 50 40 DIGB N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)c1ccccc1 6048647 MAHQEVALKLAXGU-GXDHUFHOSA-N 301.267 4.495 50 40 DIGB N#C/C(=C/c1ccsc1)C(=O)Nc1cccc(C(F)(F)F)c1 35262714 BRPXEEXPXLHPHL-WDZFZDKYSA-N 322.311 4.313 50 40 DIGB CCOc1cccc(/C=C(/C#N)Cn2cnc3ccccc32)c1 408691710 NBOSHAGWHOAXAG-YBEGLDIGSA-N 303.365 4.042 50 40 DIGB Cc1cc(C)c(NC(=O)[C@H](Br)C(C)(C)C)c(C)c1 163918 YEQMZJDDNCOHDE-ZDUSSCGKSA-N 312.251 4.360 50 40 DIGB Cc1cc(/C=C(\C#N)c2ccc(Br)cc2)c(C)n1C 443842 BMXDKIPIRHHIFO-OQLLNIDSSA-N 315.214 4.469 50 40 DIGB C[C@H](CN(CCCl)Cc1ccccc1)Oc1ccccc1 1681982 WLTMPGQTCRBODG-MRXNPFEDSA-N 303.833 4.195 50 40 DIGB N#C/C(=C/c1cccn1-c1ccccc1)c1ccc(C(=O)O)cc1 6258047 MBYUEACAXFPSIJ-LGMDPLHJSA-N 314.344 4.240 50 40 DIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(C)c1 59432635 GSFFYZKFKNSSEQ-GZTJUZNOSA-N 320.392 4.166 50 40 DIGB COc1cc(/C=C(/C#N)c2ccccc2)cc(SC#N)c1O 409058793 TUNXXBRVLFLLIZ-AUWJEWJLSA-N 308.362 4.038 50 40 DIGB O=C(N/N=C/C=C/c1c[nH]c2ccccc12)c1ccc(Cl)cc1 1881785 FVJIEPMBULCUGE-QJRDPUHFSA-N 323.783 4.250 50 40 DIGB CC(C)(C)c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1 16323035 FUWFNUHVKKTDDW-AQTBWJFISA-N 318.420 4.207 50 40 DIGB O=C(N/N=C1\CC2C[C@H]3CC1C[C@H](C2)C3)[C@H]1C[C@@H]1c1ccccc1 101461883 XZHMXVPECLRWSD-ZUUZKUQJSA-N 322.452 4.109 50 40 DIGB C[C@@H](SCc1ccccc1)C(=O)NN=C1CCCCCC1 408720308 YDSSPQVRCJKUJR-CQSZACIVSA-N 304.459 4.135 50 40 DIGB Cc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1N1CCOCC1 409389139 ALOZTRCNMQDHBI-PDGQHHTCSA-N 322.383 4.035 50 40 DIGB N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)NC1CCCCC1 3271456 JNNVLPGBRPUSHT-JLHYYAGUSA-N 322.330 4.061 50 40 DIGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc2ccccc2c1 308017 MJVYYOULNWMWHR-FYJGNVAPSA-N 322.795 4.186 50 40 DIGB C=CCSC1=C(C#N)[C@@H](c2ccc(C(C)C)cc2)CC(=O)N1 8995021 CBJHBEYCBQVFEG-OAHLLOKOSA-N 312.438 4.068 50 40 DIGB C=CCc1cc(/C=C(/C#N)c2ccccc2F)cc(OC)c1O 33653563 IWIMFCQZZJSWFZ-GDNBJRDFSA-N 309.340 4.333 50 40 DIGB C[C@@H]1CCc2sc(C(=O)N/N=C/C3CCCCC3)cc2C1 6052281 XFBSNBWSOLCPID-MBNTZHJCSA-N 304.459 4.169 50 40 DIGB COc1ccc2[nH]cc(C(=O)/C(C#N)=C\c3ccccc3C)c2c1 44026926 PRZYOFLUKMSGCV-DHDCSXOGSA-N 316.360 4.275 50 40 DIGB FC(F)(F)C(F)(F)C(F)(F)CCCCBr 91251903 HGKPBLDBHFVETL-UHFFFAOYSA-N 305.031 4.385 50 40 DIGB Cc1cccc2[nH]cc(C(=O)/C(C#N)=C\c3cccc(F)c3)c12 97152322 XXCPFTQBPPHZAC-ZSOIEALJSA-N 304.324 4.405 50 40 DIGB Cc1ccc(C(=O)N/N=C/C(Cl)=C/c2ccccc2)c(C)c1 3251147 VUCLJOWGUWACEE-ULQIOQDBSA-N 312.800 4.299 50 40 DIGB O=C(CCl)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 5945040 ICKCKBOCZAHPSN-UHFFFAOYSA-N 303.833 4.332 50 40 DIGB CC(C)c1nn(C)cc1/C=C(\C#N)c1ccc(C(F)(F)F)cn1 44026613 GLOQVRQRBJGCFR-IZZDOVSWSA-N 320.318 4.021 50 40 DIGB Cc1ccc(/C=N/NC(=O)c2ccccc2Cl)c(C)c1C 408829987 LBUOEYSNIDHEFA-VXLYETTFSA-N 300.789 4.029 50 40 DIGB O=S(=O)(Sc1ccc(Cl)cc1)c1ccc(Cl)cc1 1671470 HKRKZYSYVNYGRL-UHFFFAOYSA-N 319.234 4.474 50 40 DIGB N#CSc1ccc(NC(=O)c2ccc(F)cc2)cc1Cl 4545678 VLYIGVTUTKZGEJ-UHFFFAOYSA-N 306.749 4.305 50 40 DIGB C/C(=N\NC(=O)Cc1cccc2ccccc12)[C@H]1C[C@H]2CC[C@@H]1C2 4646985 FSOLBJWJEBJTHW-GMVCNDAWSA-N 320.436 4.311 50 40 DIGB CC(C)=NNC(=O)c1sc2cc(Cl)ccc2c1Cl 32578433 NZHXXNCZIJPOIS-UHFFFAOYSA-N 301.198 4.334 50 40 DIGB CC1(C)[C@H]2CC[C@@]1(CBr)c1nc3ccccc3nc12 100926149 SJPGQDHPHUPUKG-MGPLVRAMSA-N 317.230 4.180 50 40 DIGB COc1cc(Cl)cc(C=C(C#N)C#N)c1OCc1ccccc1 16195728 BOAQNNCJAWLXIT-UHFFFAOYSA-N 324.767 4.358 50 40 DIGB N#C/C(=C\c1ccc(OCC(F)(F)F)cc1)c1ccccn1 96313695 WTAJEEFBXXKJIC-UKTHLTGXSA-N 304.271 4.087 50 40 DIGB CC(C)(C)OC(=O)Nc1cc(F)ccc1CBr 169801518 RRZMPYKXVOYLRM-UHFFFAOYSA-N 304.159 4.068 50 40 DIGB N#C/C(=C/c1ccc(-c2ccccc2)cc1)C(=O)NC1CCCC1 32561941 TWLMJEGXKLTYQH-RGEXLXHISA-N 316.404 4.319 50 40 DIGB CN(C)c1ccc(/N=C2\C=CC(=C(C#N)C#N)c3ccccc32)cc1 104280948 VAJFTXOQBPMGCF-DARPEHSRSA-N 324.387 4.244 50 40 DIGB CC(C)(C)CN(C(=O)CCl)c1ccc(C(F)(F)F)cc1 199755980 OELNRSPLISCOBM-UHFFFAOYSA-N 307.743 4.323 50 40 DIGB COc1ccc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc1 408598642 GWQGCIBQXALPKE-GXDHUFHOSA-N 307.378 4.228 50 40 DIGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/C=C/c1ccccc1 408808828 GISSFYLEDIXDPC-PNTUOKEUSA-N 318.376 4.106 50 40 DIGB CCCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)OCC 409008070 SQVHHMGUGIZKJU-QINSGFPZSA-N 309.365 4.099 50 40 DIGB O=C(CCCCBr)c1cccc(OC(F)F)c1 575360079 CPABGHBVLOHQMS-UHFFFAOYSA-N 307.134 4.036 50 40 DIGB COc1cc2c(cc1NC(=O)[C@H](C)Cl)oc1ccccc12 3319141 IGYQLHOERAOFJM-VIFPVBQESA-N 303.745 4.160 50 40 DIGB C=CCOc1ccc(/C=C(/C#N)C(=O)c2ccc(OC)cc2)cc1 96021834 ZIJYUVCIISIJFN-LGMDPLHJSA-N 319.360 4.050 50 40 DIGB CCO[P@](=O)(/C(C#N)=C(/O)c1ccccc1)c1ccccc1 100250370 ASJQFCMPZBPMSG-QWYDYZLZSA-N 313.293 4.077 50 40 DIGB C=C=C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104086742 MXRKKKITJFPBKH-UHFFFAOYSA-N 302.357 4.011 50 40 DIGB C/C(=N\NC(=O)[C@@H]1[C@H]2CCCC[C@]21C)c1ccc(Cl)cc1 409046134 IXVUKAMHZKRWBV-HPHSPLPKSA-N 304.821 4.007 50 40 DIGB CC(C)(C)c1ccc(C(=O)N/N=C2\CCCc3ccccc32)cc1 369396 GIODGCXULRYWQF-ZBJSNUHESA-N 320.436 4.455 50 40 DIGB CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(CSC#N)CSC#N)C2 2235102 BYRAKYAIGXNFDZ-NJZAAPMLSA-N 310.488 4.015 50 40 DIGB C/C(=N\NC(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1 408767987 BBJADZSDTXHUQQ-RCCKNPSSSA-N 308.425 4.447 50 40 DIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)s1 3240807 WWXHAEHZOLOJFU-DHZHZOJOSA-N 302.786 4.256 50 40 DIGB Cc1cc(Cl)c2nc(NC(=O)CCCCl)sc2c1 20133552 LEDVJMWHTRPHGI-UHFFFAOYSA-N 303.214 4.216 50 40 DIGB O=C(CCCCl)Nc1nc2c(Cl)cc(F)cc2s1 20133576 ZJHWUYMFBCOVFR-UHFFFAOYSA-N 307.177 4.046 50 40 DIGB CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 40948906 QWEMIYKQAUWBHQ-NTCAYCPXSA-N 324.355 4.160 50 40 DIGB COc1ccc(/C=C/C(=O)Cl)cc1OCc1ccc(F)cc1 217705630 LZZUVFWNEAQKCP-WEVVVXLNSA-N 320.747 4.192 50 40 DIGB C/C(=N\NC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(C)(C)C 408768639 IDZGUYRDKLDLHG-SMBGSVLFSA-N 312.866 4.359 50 40 DIGB O=C(CCl)N(c1nc2ccccc2s1)C1CCCCC1 495618 VAQXXJFJLJVZGH-UHFFFAOYSA-N 308.834 4.201 50 40 DIGB CCCCOC(=O)c1ccc(-c2ccc(C=C(C#N)C#N)o2)cc1 9236915 NQUUXRNMWHZQSK-UHFFFAOYSA-N 320.348 4.334 50 40 DIGB CCOc1cc(/C=C/C(=O)Cl)ccc1OCc1ccccc1 62715419 PAKWKIKJFDUDAY-PKNBQFBNSA-N 316.784 4.443 50 40 DIGB ClC1=C(Cl)[C@]2(Cl)C[C@@]1(Cl)C[C@H]2CBr 104327020 LTQYIQCFHYYWHF-YRKVQTBBSA-N 324.860 4.449 50 40 DIGB N#C/C(=C\c1ccccc1O)C(=O)Nc1ccc2ccccc2c1 408760797 GDQYQSXQBKJHJV-GZTJUZNOSA-N 314.344 4.091 50 40 DIGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1 408871477 ZPIAAWCTYMBBCM-XNTDXEJSSA-N 310.784 4.448 50 40 DIGB CC(C)Oc1ccc(NC(=O)/C(C#N)=C/c2ccccc2)cc1 144429 GTOLEJFCRYNSBP-FOWTUZBSSA-N 306.365 4.019 50 40 DIGB N#C/C(=C\c1cc2c(cc1Cl)OCO2)c1ccc(F)cc1 1051571 NFJWLTCVQUSNBT-LFYBBSHMSA-N 301.704 4.272 50 40 DIGB CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c1 6956930 IJUHYCXCOWWJOV-SFQUDFHCSA-N 320.392 4.193 50 40 DIGB C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)C1 100505484 KATNNXZDWUXEDO-QOYXKCSUSA-N 308.425 4.195 50 40 DIGB COc1cc(/C=C/C(=O)Cl)ccc1OCc1ccccc1F 218724195 WLHHQXFUINYOPJ-VQHVLOKHSA-N 320.747 4.192 50 40 DIGB COC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 261047 WKNNOOXEUGHCTQ-DHZHZOJOSA-N 321.254 4.045 50 40 DIGB C/C(=N\NC(=O)Cc1cccc2ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2 105395576 FSOLBJWJEBJTHW-HZBNNLJDSA-N 320.436 4.311 50 40 DIGB CSc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 208026447 NKGLFISSLYTDNW-VMOJBDSFSA-N 322.433 4.193 50 40 DIGB C/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1ccccc1 510611 ILQKJCMFNOANOO-LTGZKZEYSA-N 324.424 4.038 50 40 DIGB O=C(CCCCl)Nc1nc2c(F)cc(Cl)cc2s1 20133583 PTKFXGGYJXLXCZ-UHFFFAOYSA-N 307.177 4.046 50 40 DIGB COc1cc(Br)ccc1-c1ccc(C(=O)Cl)o1 57353758 FBQHVCJLKHZDIU-UHFFFAOYSA-N 315.550 4.097 50 40 DIGB Cc1ccc(COc2ccc(/C=N/NC(=O)CC(C)C)cc2)cc1 4502689 UBIYJMAUNGWSDN-FYJGNVAPSA-N 324.424 4.070 50 40 DIGB O=C(CBr)c1cc2c(c3ccccc13)CCCC2 4804552 IWRGQBAJBHUSTK-UHFFFAOYSA-N 303.199 4.296 50 40 DIGB CSc1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1 4827500 OZTJPILUNDFFDZ-VCHYOVAHSA-N 318.829 4.134 50 40 DIGB Cc1cc(Br)ccc1-c1ccc(C=C(C#N)C#N)o1 58832716 VPMAUMDSBAHPMT-UHFFFAOYSA-N 313.154 4.448 50 40 DIGB Cc1nc(NC(=O)NN(c2ccccc2)c2ccccc2)oc1C 65772439 WHMZOTYQXPVOHA-UHFFFAOYSA-N 322.368 4.166 50 40 DIGB N#C/C(=C\c1csc(-c2ccco2)n1)c1nc2ccccc2[nH]1 96180012 CJJKUFHLZUHWEG-DHZHZOJOSA-N 318.361 4.344 50 40 DIGB CCOc1cccc(/C=C(\C#N)c2nc3ccccc3n2C)c1 40139633 QHABWCZVKIQHEA-RVDMUPIBSA-N 303.365 4.036 50 40 DIGB CC(C)(C)c1cccc(P(c2ccccc2)c2ccccc2)n1 100032960 MUVQLRRMGLHUTB-UHFFFAOYSA-N 319.388 4.137 50 40 DIGB N#CC1=C(N)Oc2ccc3ccccc3c2[C@H]1c1ccccc1F 52193 RUATVEOWTATRNS-SFHVURJKSA-N 316.335 4.197 50 40 DIGB COc1cc(SC#N)ccc1NC(=O)[C@@H](C)c1ccccc1 95471094 IXROLCQUMUPEQH-LBPRGKRZSA-N 312.394 4.011 50 40 DIGB Cc1ccc(SCC(=O)NN=C2CCCCCCC2)cc1 408837557 IQZFHWOIJMMZMR-UHFFFAOYSA-N 304.459 4.304 50 40 DIGB CCC/C(=N\NC(=O)c1cccs1)c1ccc(Cl)s1 4507135 UIBJPXZBDNESGU-OQLLNIDSSA-N 312.847 4.397 50 40 DIGB C[C@@H](Cl)[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1 5532699 SPONJSZVBUIGEY-IUODEOHRSA-N 305.830 4.413 50 40 DIGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OC(C)C)c1 32752468 ASJQTIMJWNETAT-SFQUDFHCSA-N 320.392 4.328 50 40 DIGB C#CCOc1ccc(/C=C(/C#N)c2nc3ccccc3s2)cc1 36646330 APRZMPIGVYQXNN-QINSGFPZSA-N 316.385 4.372 50 40 DIGB CC(C)[C@@H](Br)C(=O)Nc1cccc(C(F)(F)F)c1 3097874 JVTVKJUQXSWMPT-SNVBAGLBSA-N 324.140 4.063 50 40 DIGB CCOc1cc(/C=C(/C#N)c2nc3ccccc3s2)ccc1O 4424825 HVDVTFYEAOQAST-LCYFTJDESA-N 322.389 4.465 50 40 DIGB Cc1cc(OCC(=O)NN=C2CCCC2)c(C(C)C)cc1Cl 5447416 BBVLFWMNQFDMIH-UHFFFAOYSA-N 322.836 4.197 50 40 DIGB CSC(=C(C#N)C#N)C1=C(C(C#N)C#N)CC(C)(C)C[C@@H]1C 5529099 MOEILERUYXHMGR-NSHDSACASA-N 310.426 4.067 50 40 DIGB O=C(CCCC[C@H]1CCSS1)NC1CCC(F)(F)CC1 575617872 SHEDHIGXUJFGMJ-LBPRGKRZSA-N 323.474 4.395 50 40 DIGB O=C(N/N=C/C=C/c1ccccc1)c1cccc2ccccc12 3149763 DWLUASQHMGLQGW-IPEBZGMUSA-N 300.361 4.269 50 40 DIGB N#CC(C#N)=C1CSc2sc(=S)sc2SC1 3667399 AUJNQVHMVZLGOU-UHFFFAOYSA-N 300.480 4.081 50 40 DIGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1 5522794 LICXINHSMSDZAG-LFIBNONCSA-N 308.356 4.495 50 40 DIGB N#CC1=C(c2ccc(Cl)c(Cl)c2)OCSC1=S 32824422 AFAIRDLBMJOTGU-UHFFFAOYSA-N 302.207 4.276 50 40 DIGB N#C/C(=C/c1cccs1)C(=O)Nc1cccc2ccccc12 33328354 UYHMCHWNAQYCFI-KAMYIIQDSA-N 304.374 4.447 50 40 DIGB O=C(CCl)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 3289360 DONIQPLIRWVDCR-UHFFFAOYSA-N 321.616 4.294 50 40 DIGB C/C(=N\NC(=O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1 5002770 SWYFHVVOTDWQTL-YBFXNURJSA-N 321.207 4.076 50 40 DIGB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)N/N=C/c1ccccc1Cl)C2 101336062 VSYQPZXMQOGAJS-GZSHILNYSA-N 316.832 4.173 50 40 DIGB CC(C)(C)[Si](C)(C)OCc1ccc(Br)cn1 196173769 RQWUXKJRTKREAL-UHFFFAOYSA-N 302.288 4.366 50 40 DIGB ClCCCOc1nn(Cc2ccccc2)c2ccccc12 77272677 YNQQQYOFVFYADI-UHFFFAOYSA-N 300.789 4.092 50 40 DIGB in-vitro O=C(CCc1ccccc1)NN=C1CCC(c2ccccc2)CC1 5682525 JPANTYZDAKSIPX-UHFFFAOYSA-N 320.436 4.449 50 40 DIGB CCCCCCCCCCCC(=O)NN=C1CCN(C)CC1 97941808 LLBOYUOJDMCVQZ-UHFFFAOYSA-N 309.498 4.105 50 40 DIGB CCCCOC(=O)c1ccc(-c2ccc(C(=O)Cl)o2)cc1 8729549 QTNKVJOCFUVVSX-UHFFFAOYSA-N 306.745 4.283 50 40 DIGB N#C/C(=C\c1ccccc1F)c1nc(-c2ccncc2)cs1 63412578 BFPUFKRHVFWDEG-NTEUORMPSA-N 307.353 4.408 50 40 DIGB COc1cc2c(cc1NC(=O)[C@@H](C)Cl)oc1ccccc12 3319143 IGYQLHOERAOFJM-SECBINFHSA-N 303.745 4.160 50 40 DIGB N#CS[C@@]1(Cl)C(=O)c2ccccc2OC12CCCCC2 19909235 UGNVNLBUAMOUGJ-HNNXBMFYSA-N 307.802 4.114 50 40 DIGB Cc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)c(Cl)c1 9190549 FEMOXFHYSNIAEY-GIJQJNRQSA-N 307.180 4.066 50 40 DIGB Cc1cc(NC(=O)CCl)cc2nc(-c3ccccc3F)oc12 216854237 VPZLWZYTZBIOFW-UHFFFAOYSA-N 318.735 4.120 50 40 DIGB Cn1c(SCCCCl)nnc1-c1cccc2ccccc12 228979484 YLHBXIZUPCSNKI-UHFFFAOYSA-N 317.845 4.356 50 40 DIGB O=C(NC1c2ccccc2Oc2ccccc21)OCCCCl 1661543 XBRPUQDCZCIVRH-UHFFFAOYSA-N 317.772 4.237 50 40 DIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)o1 2743989 IKXAPXLKGLHUHR-YRNVUSSQSA-N 320.270 4.153 50 40 DIGB CCCCCCCCCc1nnc(NC(=O)CCl)s1 3299744 QSFUUQWKKYSXQI-UHFFFAOYSA-N 303.859 4.009 50 40 DIGB CC(C)[C@@H](Br)C(=O)Nc1cccc2ccccc12 4031987 LFLVCYUIGBCYRC-CQSZACIVSA-N 306.203 4.198 50 40 DIGB C=CCCCCCCCCC(=O)NNC(=O)Nc1ccccc1 4670583 GYWOEMMEZTUAKZ-UHFFFAOYSA-N 317.433 4.146 50 40 DIGB N#C/C(=C\c1cccc(O)c1)c1nc2ccccc2n1C(F)F 23612209 HRWJXPPHUHKNSX-XYOKQWHBSA-N 311.291 4.201 50 40 DIGB CC(C)(C)OC(=O)Nc1cccc(F)c1CBr 169801526 SOYNXDLQIFKJRN-UHFFFAOYSA-N 304.159 4.068 50 40 DIGB CC(C)=CCC/C(C)=C/C=N/NC(=O)c1ccccc1[N+](=O)[O-] 2132927 DCVHIRLMZUUDEG-JOEZZVDMSA-N 315.373 4.003 50 40 DIGB CCOc1cc(C=C(C#N)C#N)ccc1OCc1ccccc1 3287329 PXOGHFIBBFADGK-UHFFFAOYSA-N 304.349 4.095 50 40 DIGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)c1cccc(F)c1 409394348 ZGAQZUXKLGNMMI-SDQBBNPISA-N 302.692 4.451 50 40 DIGB N#C/C(=C\c1ccccc1F)C(=O)Nc1ccccc1Cl 3222179 NQOSPXFXZJTSBX-FMIVXFBMSA-N 300.720 4.025 50 40 DIGB Cc1ccsc1/C=N/NC(=O)CC12CC3CC(CC(C3)C1)C2 4651647 KWGBOWZOOKZSCE-YBFXNURJSA-N 316.470 4.113 50 40 DIGB C/C(=N\NC(=O)c1ccc2ccccc2n1)c1ccccc1Cl 6312425 CSNNYXGFJQXLAE-CIAFOILYSA-N 323.783 4.042 50 40 DIGB C[C@@H](Br)C(=O)c1ccc(-c2ccccc2F)cc1 2565162 ZKIPKMPWEYGXQC-SNVBAGLBSA-N 307.162 4.459 50 40 DIGB Cc1ccc2c(c1)c(C(=O)[C@@H](C)CBr)c(C)n2C 34925365 WWWXRPAUPDMJEM-JTQLQIEISA-N 308.219 4.009 50 40 DIGB O=C(N/N=C1\C[C@@H]2CC[C@@H]1C2)c1sc2ccccc2c1Cl 102403497 KRCOZMMTYYJFFV-XXLBHUHLSA-N 318.829 4.461 50 40 DIGB CCOc1ccc(/C=C(/C#N)c2ccc(C#N)cc2)c(OCC)c1 409372632 NUHWSYBUTGFYHP-WQRHYEAKSA-N 318.376 4.420 50 40 DIGB O=C(N/N=C/C=C/c1ccccc1)c1ccc(Cl)cc1Cl 13950518 FKMJRDHBOPQAOT-XLWYYFMFSA-N 319.191 4.422 50 40 DIGB C[C@]1(CCl)Nc2ccccc2C(=O)N1c1ccc(Cl)cc1 152617 PDHJWVYMASMEIK-INIZCTEOSA-N 321.207 4.367 50 40 DIGB C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(Cl)s1 5494619 NNDWJDPACADBOD-SMNSCNSHSA-N 318.829 4.045 50 40 DIGB CC(=O)N(c1nc(CCl)cs1)c1c(C)cc(C)cc1C 3394217 OSIXKJGYHKWSEA-UHFFFAOYSA-N 308.834 4.492 50 40 DIGB CC(C)c1ccc(/C=C(/C#N)C(=O)NCCc2ccccc2)cc1 13736719 ZHRHJQCAMXFYAK-ZHZULCJRSA-N 318.420 4.076 50 40 DIGB CSc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 59335162 FNAJKRDYEBKWNS-PTNGSMBKSA-N 308.406 4.263 50 40 DIGB CC1=C(C#N)[C@@H](c2ccccc2F)C2=C(O)c3ccccc3C2=N1 102540563 MROSEJUUSIRRRE-QGZVFWFLSA-N 316.335 4.492 50 40 DIGB Cc1c(/C=C(\C#N)c2nc3ccccc3[nH]2)c2ccccc2n1C 4738860 BDUZQUMTXGJCAV-SDNWHVSQSA-N 312.376 4.427 50 40 DIGB N#C/C(=C/Nc1cccc2c1CCCC2)C(=O)Nc1ccccc1 57413891 XHXBNACNCLBDLU-PEZBUJJGSA-N 317.392 4.023 50 40 DIGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2C)cc1 408792358 AUFRVHCWZNEKTI-SFQUDFHCSA-N 320.392 4.112 50 40 DIGB COc1ccccc1/C=C(/C#N)C(=O)c1c[nH]c2cc(F)ccc12 40139930 KLBUUUULIMNXRY-JYRVWZFOSA-N 320.323 4.105 50 40 DIGB O=[S@](O)CCCCCSSc1ccc(Cl)cc1 17190119 SVTRRGCBIXRDQK-UHFFFAOYSA-N 310.893 4.472 50 40 DIGB Cc1cc2c(c(=O)o1)C=C(O[Si](C)(C)C(C)(C)C)[C@H](C)O2 196280374 BDKJHSGHBBYVPF-NSHDSACASA-N 308.450 4.092 50 40 DIGB CCc1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)s1 409053494 YWJZQPNCTUWTPG-RQZCQDPDSA-N 306.818 4.036 50 40 DIGB CCCCCCCCC(=O)N/N=C/c1ccc(OCC)cc1 2790399 JMDZKLWXTYHMFS-XDJHFCHBSA-N 304.434 4.286 50 40 DIGB O=C(/C=C/c1ccccc1F)NNc1ccccc1C(F)(F)F 14244719 IROJGEJIQAQLMY-MDZDMXLPSA-N 324.277 4.001 50 40 DIGB CCCCOC(=O)c1cccc(-c2ccc(C=C(C#N)C#N)o2)c1 16639060 NGIHURSCQSFHKD-UHFFFAOYSA-N 320.348 4.334 50 40 DIGB CO[Si](CCCCCCCCCCCS)(OC)OC 198038426 VHJRQDUWYYJDBE-UHFFFAOYSA-N 308.560 4.305 50 40 DIGB O=C(CCCCCl)NN(Cc1ccccc1)c1ccccc1 3151827 MRQLYLWHZGWTNH-UHFFFAOYSA-N 316.832 4.134 50 40 DIGB Cc1ccc(N/C=C(\C#N)C(=O)Nc2ccccc2)cc1Cl 57414049 CHEQZQHWTACJOS-ACCUITESSA-N 311.772 4.107 50 40 DIGB Cc1ccc(C(=O)N/N=C/c2cccc(Cl)c2)c(Cl)c1 9190547 VSXXSCGKGIDZHD-GIJQJNRQSA-N 307.180 4.066 50 40 DIGB CCOP(=O)(OCC)/C(C#N)=C/c1c[nH]c2ccccc12 1637653 CXCPYMVLTOHULS-UKTHLTGXSA-N 304.286 4.298 50 40 DIGB C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 5289126 SGDNHNPLEPNMLF-FYJGNVAPSA-N 312.388 4.277 50 40 DIGB N#C/C(=C\c1cc(Cl)c2c(c1)OCO2)c1nc2ccccc2[nH]1 7900475 ONPHDFYORCTDOJ-VZUCSPMQSA-N 323.739 4.009 50 40 DIGB CCCCCCCCCCCC[S@](=O)C[C@H](Cl)CO 100244481 OZYBGLXHFCSSPV-DNVCBOLYSA-N 310.931 4.256 50 40 DIGB O=C(N/N=C/c1c[nH]c2ccccc12)c1cccc2ccccc12 254002 SPHTZYJNNGZIDR-LPYMAVHISA-N 313.360 4.085 50 40 DIGB CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1 1453772 OTMNCXVTMUPQSE-FOWTUZBSSA-N 306.365 4.019 50 40 DIGB C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(Cl)s1 5494613 NNDWJDPACADBOD-FQMMZHFNSA-N 318.829 4.045 50 40 DIGB C/C(=N\NC(=O)c1ccccc1C)c1cccc2ccccc12 9201340 BBIWQMKNULFFEM-RCCKNPSSSA-N 302.377 4.302 50 40 DIGB C/C(I)=C/CO[Si](C)(C)C(C)(C)C 196071526 RJQSJKGWNGCEOG-CLFYSBASSA-N 312.267 4.347 50 40 DIGB C/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc(C)cc1C 59726 YBODMGAWOGEIPO-CPNJWEJPSA-N 300.789 4.111 50 40 DIGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1 143420 KLNFEVYZQXDKSF-SFQUDFHCSA-N 320.392 4.364 50 40 DIGB O=c1c(-c2ccccc2)coc2cc(OCCCl)ccc12 2559178 HUHFZVGAKDYNTP-UHFFFAOYSA-N 300.741 4.078 50 40 DIGB CSc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1 5130796 JUWXHHRBDALIPT-NCWWNVCXSA-N 314.454 4.010 50 40 DIGB O=c1[nH]c(CCl)nc2cc(-c3ccc(Cl)cc3)sc12 12484723 KXALOVOFOCKYSD-UHFFFAOYSA-N 311.193 4.044 50 40 DIGB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C)c1 16411062 YTDLWRIENJGURV-GHRIWEEISA-N 318.376 4.106 50 40 DIGB N#C/C(=C\c1ccc2c3c(cccc13)CC2)C(=O)Nc1ccccc1 408763938 GQODCYIPLHJFRP-QGOAFFKASA-N 324.383 4.484 50 40 DIGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1C(C)C 4682217 OQIPRTXIKMQARX-VXLYETTFSA-N 317.820 4.103 50 40 DIGB CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C)c2C)c1C 409006964 LTPXQBUWQMIARQ-WOJGMQOQSA-N 322.408 4.181 50 40 DIGB CCN(C(=O)CCCl)c1nc(-c2ccc(C)cc2)cs1 4214777 CMUOJJHUEIRCOU-UHFFFAOYSA-N 308.834 4.100 50 40 DIGB Cc1cc(CSc2ccccc2)ccc1NC(=O)CCl 408921011 BBSVQVCVKNYXIC-UHFFFAOYSA-N 305.830 4.465 50 40 DIGB CSc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1 5527671 FOLHSEOIRMFIOW-DEDYPNTBSA-N 320.417 4.326 50 40 DIGB CCCCCC[C@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21 6648842 JLXDLKHNOASLOV-AWEZNQCLSA-N 322.412 4.217 50 40 DIGB O=C(O)[C@@H]1CCc2cc(S(F)(F)(F)(F)F)ccc2N1 110749792 CUYRKWMVWWNVJG-VIFPVBQESA-N 303.252 4.155 50 40 DIGB CCOC(=O)/C(C#N)=C/c1c(-c2ccccc2)[nH]c2ccccc12 245081 BDOANKGGLVBOQA-NTCAYCPXSA-N 316.360 4.305 50 40 DIGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 2773907 CRGATLCPIVVDBX-FMIVXFBMSA-N 300.720 4.025 50 40 DIGB NC[C@H](CCBr)C(c1ccccc1)c1ccccc1 199749453 WSNXFWYWWDJVRO-INIZCTEOSA-N 318.258 4.178 50 40 DIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)o1 2631185 KKBNNMFLHGBUKN-JXMROGBWSA-N 321.163 4.441 50 40 DIGB CCCCC/C(=N/NC(=O)c1ccc(OC)cc1)c1ccccc1 4195932 UEULODJADDRXCV-VZCXRCSSSA-N 324.424 4.410 50 40 DIGB C/C(=N\NC(=O)C1[C@@H]2CCCC[C@@H]12)c1ccc2ccccc2c1 100505441 CELGZIBYWXIOML-QIBHQFNGSA-N 306.409 4.116 50 40 DIGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc2[nH]c3ccccc3c2c1 408799860 IRIIRHVATQJVQI-LERPTODRSA-N 317.392 4.143 50 40 DIGB C=CCc1cc(/C=C(/C#N)c2cccc(F)c2)cc(OC)c1O 409389584 CCMUZCLBILUDCX-SXGWCWSVSA-N 309.340 4.333 50 40 DIGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1 16408752 VJSJACAVNUOEHO-NTCAYCPXSA-N 324.355 4.160 50 40 DIGB N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)NC1CCCCC1 33417930 NNHNADUMIZXULM-LCYFTJDESA-N 322.330 4.061 50 40 DIGB COc1ccccc1/C=C(\C#N)c1nc(-c2ccncc2)cs1 63412579 GNBGEHTVSHNAAR-XNTDXEJSSA-N 319.389 4.278 50 40 DIGB FC(F)(F)c1cncc(C(F)(F)F)c1CBr 91252232 YKRPKNWPAHUQGS-UHFFFAOYSA-N 308.019 4.014 50 40 DIGB BrCC12CC3CC(C1)CC(CBr)(C3)C2 124713 RQLZKHBTRUJFEF-UHFFFAOYSA-N 322.084 4.363 50 40 DIGB Cc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1Cl 485350 DSEQZEBKHZSVBO-GIJQJNRQSA-N 307.180 4.066 50 40 DIGB CC(=O)Oc1c(Cl)c(Cl)c([N+](=O)[O-])c(Cl)c1Cl 1688222 RIALXPIBDSOWAX-UHFFFAOYSA-N 318.927 4.134 50 40 DIGB Cc1nc2sccn2c1/C=C(\C#N)c1nc2ccccc2s1 5072543 QFYGHFTXMDRUOR-DHZHZOJOSA-N 322.418 4.378 50 40 DIGB Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc2c1O[C@@H](C)C2 27516716 KPSHGUQFMRBXBC-RKPNYOAGSA-N 315.376 4.259 50 40 DIGB CC(C)(C)c1cc(/C=C(/C#N)C(N)=S)cc(C(C)(C)C)c1O 29747246 XRZYELWZLNAXGE-GHXNOFRVSA-N 316.470 4.180 50 40 DIGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccccc2)c1 408782359 GEFKCLMZJDFBPS-WJDWOHSUSA-N 306.365 4.019 50 40 DIGB Cc1ccsc1/C=N/NC(=O)c1ccc(Cl)cc1Cl 580794 ZEVUPWBNAWNTCN-FRKPEAEDSA-N 313.209 4.127 50 40 DIGB O=C(CSCc1ccc(Cl)cc1)NN=C1CCCCCC1 320358 HNIVTIJEVZRTRD-UHFFFAOYSA-N 324.877 4.400 50 40 DIGB CN1/C(=C(\C#N)C2=Nc3ccccc3SC2)Nc2ccccc21 11990828 NRTZRDWGHHDXSX-LDADJPATSA-N 318.405 4.162 50 40 DIGB C=C(C)c1ccccc1P(c1ccccc1)c1ccccc1 96171605 AVFWKKOJDACKAY-UHFFFAOYSA-N 302.357 4.478 50 40 DIGB O=C(CCl)Nc1ccc2nc(-c3cccc(Cl)c3)oc2c1 216856675 UMFZTJIORJMUBO-UHFFFAOYSA-N 321.163 4.326 50 40 DIGB C[C@@H](Cl)[C@H](Sc1ccccc1)C(=O)Nc1ccccc1 5532618 SPONJSZVBUIGEY-DOMZBBRYSA-N 305.830 4.413 50 40 DIGB C[C@@H]1CC2(CCCCC2)N2C(=O)C(=C(C#N)C#N)c3cccc1c32 14162262 YLGLCUBFTGGRAS-CYBMUJFWSA-N 317.392 4.044 50 40 DIGB O=[N+]([O-])c1ccc(S[C@H]2CCCC[C@H]2Cl)c([N+](=O)[O-])c1 1640995 LTAJOOMBQCYMBL-KOLCDFICSA-N 316.766 4.145 50 40 DIGB Cc1cc([N+](=O)[O-])c(-c2ccc(C(=O)Cl)o2)cc1Cl 40541571 VVZXMURYKRXANQ-UHFFFAOYSA-N 300.097 4.196 50 40 DIGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)c1 59432963 CTGZJYNWTPRLQC-XNTDXEJSSA-N 315.376 4.330 50 40 DIGB N#C/C(C(=O)CSc1ccccc1)=C1\Nc2ccccc2S1 101083466 JNESZAOYHKAOMM-LGMDPLHJSA-N 324.430 4.301 50 40 DIGB CCCCC/C(=N/NC(=O)c1ccccc1O)c1ccccc1 4017605 GEIIEXUFIYUFCX-JZJYNLBNSA-N 310.397 4.107 50 40 DIGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cccc2ccccc12 7157968 NUPPNTRVGDDCKI-RKXBELNISA-N 318.420 4.442 50 40 DIGB CC(C)OC(=O)c1ccc(-c2ccc(/C=C/C(=O)Cl)o2)cc1 8729555 BVMRTPJQLATRFZ-CSKARUKUSA-N 318.756 4.290 50 40 DIGB Cc1cc(/C=C(\C#N)c2nc3ccccc3n2C)c(C)n1C1CC1 12525303 HEWPINHTHNBVAF-LFIBNONCSA-N 316.408 4.391 50 40 DIGB CC(/C=C(/C#N)C(=O)Nc1cccc(C)c1)=C\c1ccccc1 206060480 SYMOMTHVFXKPCD-JASSCNTNSA-N 302.377 4.487 50 40 DIGB C=C[Si](ON=C(C)CC)(ON=C(C)CC)ON=C(C)CC 299888773 WXWYJCSIHQKADM-UHFFFAOYSA-N 313.474 4.058 50 40 DIGB Cc1ccc(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)cc1 568111 XFBRUNBGWNAHMJ-GXDHUFHOSA-N 301.349 4.022 50 40 DIGB O=C(N/N=C/[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(Cl)c(Cl)c1 4975545 UEGQHEUVZMGNTE-DZJUSUGCSA-N 311.212 4.145 50 40 DIGB O=C(NNc1nc2ccccc2s1)Nc1ccc(Cl)cc1 16500221 PVBUIOLNBHGLIN-UHFFFAOYSA-N 318.789 4.098 50 40 DIGB C=CCOc1ccc(/C=C(\C#N)c2ccc(OC)cc2)cc1OC 408584098 ZZKAALSWSWUURM-SFQUDFHCSA-N 321.376 4.333 50 40 DIGB Cc1c(/C=C(/C#N)c2ccc3c(c2)OCO3)c2ccccc2n1C 409365774 RYFIIKGGMRMQKK-DHDCSXOGSA-N 316.360 4.280 50 40 DIGB C[C@@H](CCl)OP(=O)(O[C@H](C)CCl)[C@H](C)CCl 4578182 AOTIRVBHFRETEJ-BHWMRUFJSA-N 311.573 4.095 50 40 DIGB C=CCOc1ccc(/C=C(\C#N)c2nc(C)cs2)cc1OC 8079554 OVUXZQATBTVMIC-RIYZIHGNSA-N 312.394 4.089 50 40 DIGB Cc1ccc(OCCCCBr)c(Br)c1 1578076 QVGOUHOPYHVHBD-UHFFFAOYSA-N 322.040 4.311 50 40 DIGB CCc1ccc(-c2c[nH]nc2/C=C(\C#N)c2nc(C)cs2)cc1 6265795 IGHHTIGFXMKMFG-OVCLIPMQSA-N 320.421 4.468 50 40 DIGB C/C(=N/NC(=O)c1ccoc1C)c1ccc(Cl)cc1Cl 13940206 LVXNUNKQEMZCSN-IUXPMGMMSA-N 311.168 4.049 50 40 DIGB Fc1cc(Br)c(CBr)cc1Cl 147140997 DMXOFAJIWULOQB-UHFFFAOYSA-N 302.368 4.137 50 40 DIGB N#C/C(=C/c1cccn1-c1ccc(O)cc1)c1cccc(F)c1 409389225 APZABFDNKQTYGG-QINSGFPZSA-N 304.324 4.386 50 40 DIGB O=C(Cl)c1ccc(-c2ccc(Br)cc2F)o1 20159987 TZWUTXGKOWHWHW-UHFFFAOYSA-N 303.514 4.227 50 40 DIGB COc1ccccc1C(=O)/C(C#N)=C\c1ccc(OC(C)C)cc1 97152275 MKDOFWOYDGGZNY-VBKFSLOCSA-N 321.376 4.272 50 40 DIGB COc1cc(C(=O)CCCCCBr)cc(F)c1F 575358077 IFXAGBNIGSZUAS-UHFFFAOYSA-N 321.161 4.111 50 40 DIGB ClC1=C(Cl)[C@@]2(Cl)C[C@@H](Cl)[C@@H]1C2(Cl)Cl 1721649 LNXRPBYDAMRYDD-KMYHCQSRSA-N 300.827 4.468 50 40 DIGB CCCCC/C(=N\NC(=O)c1ccccc1O)c1ccccc1 12419661 GEIIEXUFIYUFCX-LVZFUZTISA-N 310.397 4.107 50 40 DIGB C/C(=N/NC(=O)c1ccoc1C)c1ccc(Cl)c(Cl)c1 13940356 OAIMIMFILJNBLP-IUXPMGMMSA-N 311.168 4.049 50 40 DIGB CC(C)(C)OC(=O)Nc1ccc(CBr)cc1F 39175195 XXKQUYPKRKBDOL-UHFFFAOYSA-N 304.159 4.068 50 40 DIGB ICC1c2ccccc2-c2ccccc21 71254648 BHQICIZVRTZFMD-UHFFFAOYSA-N 306.146 4.234 50 40 DIGB Cc1ccc(C(=O)NN=C2c3ccccc3-c3ccccc32)cc1 3073240 OADUIWOBAJZXRJ-UHFFFAOYSA-N 312.372 4.158 50 40 DIGB Cc1ccccc1C(=O)N/N=C/c1c(Cl)cccc1Cl 498273 ZVXIBZMAUKJEMW-GIJQJNRQSA-N 307.180 4.066 50 40 DIGB C/C(=N\NC(=O)c1ccoc1C)c1cc(Cl)ccc1Cl 5697215 DBUPQMDKRGMKIW-CAOOACKPSA-N 311.168 4.049 50 40 DIGB CCc1nc(/C(C#N)=C/c2c[nH]nc2C(C)(C)C)sc1C 63278831 GWASIHMYHGJJGH-YRNVUSSQSA-N 300.431 4.099 50 40 DIGB BrCCCc1c[nH]c2ccc(Br)cc12 77596602 HIMSLRNTUACHGB-UHFFFAOYSA-N 317.024 4.258 50 40 DIGB Cc1cc2nc(/C(C#N)=C\c3cc(C)n(C)c3C)[nH]c2cc1C 408772403 OWEIZAYNDHOKNS-SXGWCWSVSA-N 304.397 4.199 50 40 DIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(C)c1 408794272 HXGREFZOJZXAMH-GZTJUZNOSA-N 320.392 4.166 50 40 DIGB Cc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)s1 409023122 DSQYFLRHGGGTFN-IUXPMGMMSA-N 318.785 4.220 50 40 DIGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/C=C/c1ccco1 2730327 JFGNDNGMKALDNX-OKIZLYGUSA-N 312.756 4.343 50 40 DIGB N#CSc1cc(C(=O)Nc2ccccc2)c(O)c2ccccc12 16489731 NVKCAXMUJSHPEX-UHFFFAOYSA-N 320.373 4.371 50 40 DIGB COc1ccccc1NC(=O)CCCC[C@H]1CCSS1 34045762 WSBKRQNNXVSXST-LBPRGKRZSA-N 311.472 4.348 50 40 DIGB biogenic COc1cc(OC)c(/C=C(/C#N)c2cccc(C#N)c2)cc1Cl 408569015 YALLMRIIJJOYMT-CHHVJCJISA-N 324.767 4.293 50 40 DIGB Cc1cc(C)c(O)c(CN(C[C@H](C)Cl)C[C@H](C)Cl)c1 1701304 MRONGWSWMIJAPR-STQMWFEESA-N 304.261 4.066 50 40 DIGB O=C1c2ccccc2C(Cl)(Cl)[C@@H](Cl)C1(Cl)Cl 2169349 AVRLSFVAMORTAF-MRVPVSSYSA-N 318.414 4.295 50 40 DIGB N#C/C(=C/c1cccs1)C(=O)Nc1cccc(C(F)(F)F)c1 33328770 UMAFMOSWSFWVOO-YFHOEESVSA-N 322.311 4.313 50 40 DIGB C/C(=N\NC(=O)c1cc(C)oc1C)c1cccc(C(F)(F)F)c1 5785610 PPLAVBRZEQBRHO-KEBDBYFISA-N 324.302 4.069 50 40 DIGB CC(C)/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccccc1 12401182 KJIQPNXYFTVNQY-KNTRCKAVSA-N 300.789 4.130 50 40 DIGB C[Si](C)(C)O[C@@]1(C(F)(F)F)CCc2ccc([N+](=O)[O-])cc21 1857794209 XHAVOTFBUGEXIY-LBPRGKRZSA-N 319.355 4.150 50 40 DIGB CC(C)(C)OC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 184360 OVZNTWLOICRYLT-VCHYOVAHSA-N 320.776 4.459 50 40 DIGB CCCCCC(O)(CCCCC)C(=O)NNc1ccccc1 4860401 WZVCYCPXUQPZCM-UHFFFAOYSA-N 306.450 4.021 50 40 DIGB Cc1ccc(S[C@H](C)C(=O)NN=C2CCCCCC2)cc1 409139892 CHSJDCDVUYGFEK-CQSZACIVSA-N 304.459 4.302 50 40 DIGB N#CC(=C1CCCCC1)c1nc(-c2ccc(O)cc2O)cs1 14137093 KZAAQLUVRSTWHH-UHFFFAOYSA-N 312.394 4.463 50 40 DIGB N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccccc1F 3073377 MKFPLLMYQADGKH-GOSISDBHSA-N 316.335 4.197 50 40 DIGB N#C/C(=C\c1ccc2nccnc2c1)c1nc2ccccc2s1 11690013 AQSBKECKEUMVBH-UKTHLTGXSA-N 314.373 4.304 50 40 DIGB Cc1cc(O)ccc1N(CC1CCCCCC1)C(=O)CCl 199757120 CYUQLMTXGMHWBG-UHFFFAOYSA-N 309.837 4.243 50 40 DIGB O=C(CCCCCBr)c1cccc(OC(F)F)c1 575361184 TUOQGTBYKZNNRL-UHFFFAOYSA-N 321.161 4.426 50 40 DIGB C1CCN(CCCSSCCCN2CCCCC2)CC1 4900203 XSBPYWSEAOLOFK-UHFFFAOYSA-N 316.580 4.120 50 40 DIGB N#C/C(=C/C=C/c1ccccc1)C(=O)Nc1ccc(Cl)cc1 408745308 LIHMQUQNTHLLQH-GVEAZFNLSA-N 308.768 4.442 50 40 DIGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)c1cccc(C#N)c1 408568439 UJQAWZGYGMXNES-AUWJEWJLSA-N 309.712 4.184 50 40 DIGB CCOc1ccc(C(=O)O)cc1/C=C(\C#N)c1ccc(C)cc1 408579838 KIBWAOFCQHTQIS-GZTJUZNOSA-N 307.349 4.156 50 40 DIGB O=C(/C=C/c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1 409055261 DLWLCRWBXZCJGT-XXDDWHJSSA-N 319.191 4.157 50 40 DIGB Cc1nnc(/N=C(O)/C(C#N)=C/c2ccc(C(C)C)cc2)s1 16976513 XJBFJKAHVMAQAW-RIYZIHGNSA-N 312.398 4.165 50 40 DIGB N#CCOc1ccccc1/C=C(\C#N)c1nc2ccccc2s1 4893806 OGGJMRSVTJAQEV-SDNWHVSQSA-N 317.373 4.263 50 40 DIGB COc1ccc(/C=C(\C#N)c2ccc3ccccc3n2)cc1OC 5447338 PJTHSQVKIOESMT-LFIBNONCSA-N 316.360 4.316 50 40 DIGB N#C/C(=C\c1ccc(Br)cc1)C(=O)c1ccccc1 5723043 WTUZMXYGGSXQSH-GXDHUFHOSA-N 312.166 4.239 50 40 DIGB C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1cc(C)c(C)cc1C 20195516 RNKAEPQAQBGXTG-RELWKKBWSA-N 322.452 4.312 50 40 DIGB N#C/C(=C\c1cc2cccc3c2n(c1=O)CCC3)c1ccccc1 36625736 BSDRWBZRDUYAJG-CPNJWEJPSA-N 312.372 4.012 50 40 DIGB Cc1ccc(/C=N/NC(=O)c2cc3c(s2)CCCC3)c(C)c1 2657760 KBUWLWKFSPUZSW-YBFXNURJSA-N 312.438 4.008 50 40 DIGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NN=C1CCCCC1 59473197 YBHBZLDYFAKXKJ-LLVKDONJSA-N 310.850 4.257 50 40 DIGB CCCCCCCCCCS(=O)(=O)C(CCl)CCl 100241641 WWESZYYCPGSUFA-UHFFFAOYSA-N 317.322 4.388 50 40 DIGB O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C1CC1 8104896 AHTUMRJXIDCNPS-QGMBQPNBSA-N 323.179 4.114 50 40 DIGB CS/C(Nc1ccccc1Cl)=C(\C#N)C(=O)C(C)(C)C 100379774 GYSJLNJMLFYWNU-GXDHUFHOSA-N 308.834 4.465 50 40 DIGB CC(C)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1 485129 WSRYSTNPBWJFCT-YBFXNURJSA-N 300.789 4.227 50 40 DIGB C/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1ccc(C)cc1 4878494 ILQNFJGHUWWLCM-PXLXIMEGSA-N 317.392 4.006 50 40 DIGB Cc1cc(C)c(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)c1 211825761 RLVLIIIDXIXMFN-UEXNTNOUSA-N 318.420 4.396 50 40 DIGB CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)ccc1OC 408567029 KFYGEVQZLZEBKQ-MFOYZWKCSA-N 304.349 4.030 50 40 DIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccs1 43216 CHRXZFIXIUHWEA-XDHOZWIPSA-N 324.405 4.064 50 40 DIGB N#CC(C#N)=Cc1cccc(NC(=O)c2ccccc2Cl)c1 5068009 ZFRZWTKNJAFGAY-UHFFFAOYSA-N 307.740 4.023 50 40 DIGB CCC/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccccc1 13476425 KFKMLSMRHRNXER-MDYJUBHLSA-N 306.409 4.111 50 40 DIGB BrC1=C[C@@H]2C[C@H](c3ccccc32)[C@@H]1Br 101020683 DPBBMSLGWVLCIN-KOLSJAJHSA-N 314.020 4.313 50 40 DIGB Cc1cc(C)c(NC(=O)[C@@H](Br)C(C)(C)C)c(C)c1 163919 YEQMZJDDNCOHDE-CYBMUJFWSA-N 312.251 4.360 50 40 DIGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc(Cl)cc1)c1ccccc1 1450848 OFHVIGSJTYABKZ-KWWJGWKXSA-N 310.784 4.124 50 40 DIGB O=P(CCc1ccccc1)(c1ccccc1)c1ccccc1 1689000 XUVVJGXDYCSORU-UHFFFAOYSA-N 306.345 4.243 50 40 DIGB C[C@](CCl)(Sc1ccccc1)C(=O)Nc1ccccc1 2339896 JPAFXFMWOFWIHM-MRXNPFEDSA-N 305.830 4.415 50 40 DIGB CC[C@@H]1C[C@@](C)(CC)N2C(=O)C(=C(C#N)C#N)c3cc(C)cc1c32 9190038 JOOCMWMJAIOYEE-ZUOKHONESA-N 319.408 4.208 50 40 DIGB N#C/C(=C/c1ccc(O)c(Cl)c1)c1nc2ccc(F)cc2[nH]1 408568497 JVEWKKGUMSRHMF-YHYXMXQVSA-N 313.719 4.125 50 40 DIGB C/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccco1 5369682 WFJWFVLXKDJTJI-RWDAEXGBSA-N 324.424 4.221 50 40 DIGB CC/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1cccs1 5727607 GLMZAJWQRRTCOJ-HMMYKYKNSA-N 323.421 4.149 50 40 DIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(C)c1 59432931 HCVRDYOVASYAOU-GZTJUZNOSA-N 320.392 4.166 50 40 DIGB COc1ccc(/C=C/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1 408545054 YVDRHQRAGMJNJR-FKJKDRHESA-N 305.333 4.014 50 40 DIGB O=C(CCCCBr)c1ccccc1C(F)(F)F 575358920 JYYLMXZQFNKUHN-UHFFFAOYSA-N 309.125 4.453 50 40 DIGB C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccc(C)cc1C 59922545 FKNAIKIXGPEHSM-XSFVSMFZSA-N 314.816 4.040 50 40 DIGB O=C(N/N=C\c1ccc(-c2cccc(F)c2)o1)Nc1ccccc1 409009578 GIWLDDZYTAJEHH-NDENLUEZSA-N 323.327 4.241 50 40 DIGB C/C(=N\NC(=O)[C@@H]1[C@@H]2CCCC[C@]21C)c1ccc(Cl)cc1 409046136 IXVUKAMHZKRWBV-SDZDIROXSA-N 304.821 4.007 50 40 DIGB O=C(CCCCCBr)c1cc(F)c(F)c(F)c1 575358836 GJMDTGOCXDDDBQ-UHFFFAOYSA-N 309.125 4.242 50 40 DIGB CCCOc1ccccc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1 1791281 NJCAJOIOAFMSLB-FOWTUZBSSA-N 308.337 4.448 50 40 DIGB COC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2Cl)o1 208015656 AGEVVHPRQIILRL-CLFYSBASSA-N 322.147 4.333 50 40 DIGB O=C(NN=C1c2ccccc2-c2ccccc21)Nc1ccccc1 1572893 VQAHSWXKUQLJDO-UHFFFAOYSA-N 313.360 4.241 50 40 DIGB N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1ccccc1F 3073376 MKFPLLMYQADGKH-SFHVURJKSA-N 316.335 4.197 50 40 DIGB COc1ccccc1[P@](=O)(Cc1ccccc1)c1ccccc1 520120 CNRGWAYTJCFYON-QHCPKHFHSA-N 322.344 4.209 50 40 DIGB CCN(CC)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 4663316 UJJAHCUHQPONAR-DTQAZKPQSA-N 316.408 4.473 50 40 DIGB CCC/C(=N\NC(=O)c1ccoc1C)c1ccc(Cl)s1 17032210 NXRAMBLYFJSWLJ-LFIBNONCSA-N 310.806 4.237 50 40 DIGB Fc1c(Br)ccc(Cl)c1CBr 97436566 NXGGPRJWFMRICP-UHFFFAOYSA-N 302.368 4.137 50 40 DIGB CCCCCCCCCC(=O)N/N=C\c1cccc([N+](=O)[O-])c1 104165244 ZULIIRLSKGZRRA-JXAWBTAJSA-N 319.405 4.186 50 40 DIGB N#C/C(=C\c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 5584482 HWGZDMDJNHXPKR-UKTHLTGXSA-N 316.282 4.251 50 40 DIGB CCSC1=C(C#N)[C@@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1 20081222 ZPOROAWQFUILBE-QGZVFWFLSA-N 324.449 4.177 50 40 DIGB Cc1cc(C)cc(NC(=O)c2ccc(CBr)cc2)c1 41674432 WKXCDGFHUMBFFY-UHFFFAOYSA-N 318.214 4.451 50 40 DIGB Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)o1 408986552 MYFONDJOKVUVIW-GHXNOFRVSA-N 300.745 4.096 50 40 DIGB CCSC(=O)/C(=C/C=C/c1ccccc1[N+](=O)[O-])CCl 4293524 RQVCESHSQTXTDG-ZOCAGLHBSA-N 311.790 4.053 50 40 DIGB N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1 43079202 BIBVNQYUNQPCIX-LCYFTJDESA-N 316.282 4.251 50 40 DIGB Cc1[nH]c2ccccc2c1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1 487365 WQYDIHXJGTVQQJ-UVTDQMKNSA-N 303.321 4.449 50 40 DIGB CCCn1cc(/C=N/NC(=O)c2ccccc2C)c2ccccc21 9202494 BHKVXQWIWDWRGS-FYJGNVAPSA-N 319.408 4.124 50 40 DIGB ClC[C@H](CBr)OCc1ccc2ccccc2c1 110748126 PQRCQGCHCUOYAZ-AWEZNQCLSA-N 313.622 4.359 50 40 DIGB COc1ccc(/C(C#N)=C\c2ccc(N(C)CCC#N)cc2)cc1 1735964 BFPANPWMNCFSHN-JXAWBTAJSA-N 317.392 4.109 50 40 DIGB COc1ccc(/C=C(\C#N)c2nc(-c3ccco3)cs2)cc1O 4291973 GXEHEKMULFRJGZ-KPKJPENVSA-N 324.361 4.181 50 40 DIGB CCCOc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1 5027502 UTEFFXPOOGEPTA-DTQAZKPQSA-N 317.392 4.426 50 40 DIGB Cc1ccc(N/C=C(\C#N)C(=O)Nc2ccccc2)c(Cl)c1 57414044 ZHENAMJIMCSBMK-ACCUITESSA-N 311.772 4.107 50 40 DIGB O=C(CCl)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 74941643 RRWQRLVMZPCIAQ-UHFFFAOYSA-N 321.616 4.294 50 40 DIGB CC(C)(C)OC(=O)n1ccc2cccc(CBr)c21 80443790 YVGLGHAMSGVDOZ-UHFFFAOYSA-N 310.191 4.319 50 40 DIGB N#CSc1nc2ccccc2cc1/C=N/Nc1ccccc1 4986815 SVLZZILGJTWZBL-YBFXNURJSA-N 304.378 4.254 50 40 DIGB Cc1c(NC(=O)CCl)cccc1-c1nc2ccccc2s1 216858420 WQTGQDGYTPUUAV-UHFFFAOYSA-N 316.813 4.449 50 40 DIGB Cc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)c1 409225929 TVCFCBGGHWQFGE-CIAFOILYSA-N 322.339 4.158 50 40 DIGB C=CCN(C(=O)C(Cl)Cl)c1cccc(C(F)(F)F)c1 5157755 WWINJKYFUBEFBE-UHFFFAOYSA-N 312.118 4.028 50 40 DIGB O=C(N/N=C1/C[C@@H]2C=CC[C@H]12)c1sc2ccccc2c1Cl 6341807 VRNFDGYXLHWKDU-IHGPDKMBSA-N 316.813 4.237 50 40 DIGB CCOC(=O)c1ccc(C(=O)[C@H](Cl)c2ccccc2)cc1 575361686 FWXAXJYWTCQEEU-OAHLLOKOSA-N 302.757 4.026 50 40 DIGB Cc1cnc(NC(=O)CCCC[C@@H]2CCSS2)s1 25404791 AAAQYCLBMKRMEU-SNVBAGLBSA-N 302.490 4.104 50 40 DIGB biogenic ICc1c2ccccc2nc2ccccc12 33369616 DXNLOPGUIKXFCT-UHFFFAOYSA-N 319.145 4.323 50 40 DIGB C/C(=N/NC(=O)Cc1cccc2ccccc12)[C@H]1C[C@@H]2CC[C@@H]1C2 100064563 FSOLBJWJEBJTHW-BNCUHBERSA-N 320.436 4.311 50 40 DIGB O=C(N/N=C/c1ccc(Cl)s1)c1csc2c1CCCC2 370495 TVMJDNTZKYGDRH-FRKPEAEDSA-N 324.858 4.106 50 40 DIGB O=C(NN=C1CCCCCCCCCCC1)c1ccccn1 62695 VJILVKHGVXQYFQ-UHFFFAOYSA-N 301.434 4.472 50 40 DIGB N#C/C(=C\c1c2ccccc2c(Cl)c2ccccc12)C(N)=O 3304554 PHNHUVSYBAETQN-PKNBQFBNSA-N 306.752 4.039 50 40 DIGB Cn1c(/C(C#N)=C\c2ccc3cccnc3c2)nc2ccccc21 33761847 RSGZUMCOCLAWAA-WJDWOHSUSA-N 310.360 4.186 50 40 DIGB CC(C)(C)C(=O)OCCCCn1c(CCl)nc2ccccc21 90500496 BZVXSAXQSWSMBF-UHFFFAOYSA-N 322.836 4.145 50 40 DIGB C#CCOc1ccc(/C=C(\C#N)c2ccc(C)cc2)cc1OCC 209485384 NIFIWTRZHRCEPM-CPNJWEJPSA-N 317.388 4.470 50 40 DIGB C#CCOc1ccc(Cl)cc1/C=C(\C#N)c1ccc(OC)cc1 408581552 IWQVWNJAINMQDX-LFIBNONCSA-N 323.779 4.425 50 40 DIGB Cc1cccc(NC(=O)N/N=C\c2ccc(Cl)s2)c1C 408964566 DRHCLBLTYCMTHT-PXNMLYILSA-N 307.806 4.174 50 40 DIGB CCn1c(C)cc(/C=N/NC(=O)c2cccc3ccccc23)c1C 409070632 DCHJZACOMGCCMS-FYJGNVAPSA-N 319.408 4.042 50 40 DIGB CN(CCCl)C[C@@H](Cl)c1cccc(C(F)(F)F)c1 6437460 ADQZFXROBJVLPP-LLVKDONJSA-N 300.151 4.156 50 40 DIGB CC(C)=NNC(=O)c1sc2cccc(Cl)c2c1Cl 32578426 HETLZTREJZWCLD-UHFFFAOYSA-N 301.198 4.334 50 40 DIGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cn1 24362072 CPSZMUAOZWFXMI-IZZDOVSWSA-N 319.242 4.073 50 40 DIGB CC1CCN(c2ccc(NC(=O)[C@@H](C)Cl)cc2Cl)CC1 34776754 DAUFJYRFFSWOSD-LLVKDONJSA-N 315.244 4.142 50 40 DIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccccc1C 100194993 CHQNFJDIXJEBMB-NVNXTCNLSA-N 312.376 4.004 50 40 DIGB O=C(N/N=C/c1cc(-c2ccccc2)oc1Cl)c1ccccc1 3148465 HDAKSADOCPZPGS-UDWIEESQSA-N 324.767 4.364 50 40 DIGB CC[C@H]1C[C@](C)(CC)N2C(=O)C(=C(C#N)C#N)c3cc(C)cc1c32 9190041 JOOCMWMJAIOYEE-RBZFPXEDSA-N 319.408 4.208 50 40 DIGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cn1 24362101 FYTZWVPNFIOOGG-YRNVUSSQSA-N 319.242 4.073 50 40 DIGB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1 7157408 DZKIMIUVGJOHDR-GHRIWEEISA-N 318.376 4.106 50 40 DIGB Cc1ccc2nc(/C(C#N)=C\c3ccc(O)c(Cl)c3)[nH]c2c1 51103797 KSFMDGHIUFOSBO-GHXNOFRVSA-N 309.756 4.295 50 40 DIGB C#CCOc1ccccc1/C=C(\C#N)c1nc2ccccc2s1 6209431 DGYLHUBQDGEIGW-NTCAYCPXSA-N 316.385 4.372 50 40 DIGB CCCCC/C(=N\NC(=O)COc1ccccc1)c1ccccc1 12403664 KZKXAHZIVKCDJK-XUTLUUPISA-N 324.424 4.166 50 40 DIGB CCc1ccc(/C=N/NC(=O)c2csc3c2CCCC3)s1 2767569 CLBUHDMAXMNBIQ-RQZCQDPDSA-N 318.467 4.015 50 40 DIGB C#CCOc1cccc(/C=C(/C#N)c2nc3ccccc3s2)c1 5027158 OEQCBRNOGZVYBJ-PTNGSMBKSA-N 316.385 4.372 50 40 DIGB CCc1nc(/C(C#N)=C/c2csc(C3CC3)n2)sc1C 63278838 YBPLIOVIXHDURF-IZZDOVSWSA-N 301.440 4.412 50 40 DIGB C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 4587794 KATNNXZDWUXEDO-YGGIKGFLSA-N 308.425 4.195 50 40 DIGB C[C@H](Cl)C(=O)Nc1ccc(N2CCCCCC2)c(Cl)c1 34776860 XAOYESSMYKNYGR-NSHDSACASA-N 315.244 4.286 50 40 DIGB CC[C@H](C)/C(C)=N/NC(=O)c1ccc(COc2ccccc2)cc1 4979347 QZKHPSVNXTZPQX-SSPLZPMDSA-N 324.424 4.417 50 40 DIGB Cc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(F)cc2)o1 9201003 DZFSMWKNKDHANK-CIAFOILYSA-N 322.339 4.158 50 40 DIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)o1 7210426 SUVJPQZUAMOIBU-KPKJPENVSA-N 300.745 4.096 50 40 DIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1c[nH]c2ccccc12 34987994 HRHFIORQOBLAPG-UVTDQMKNSA-N 301.349 4.022 50 40 DIGB C/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccc(C)cc1 5277264 STJMNINRZJWDSY-CJLVFECKSA-N 316.404 4.231 50 40 DIGB N#C/C(=C\c1cccc(Br)c1)C(=O)c1ccccc1 5723047 GQISNJNSOANZHL-NTEUORMPSA-N 312.166 4.239 50 40 DIGB Cc1ccc(C(=O)N/N=C2/CCCCc3ccccc32)c(C)c1 6832360 IOLZUSGEGLZNQY-VZCXRCSSSA-N 306.409 4.164 50 40 DIGB COc1ccc(/C=C(\C#N)c2ccc(C(F)(F)F)cn2)cc1 24362224 MKLQTCYGYKTLCI-XYOKQWHBSA-N 304.271 4.173 50 40 DIGB CCNC(C)(C)[C@@H](SS)c1ccc(Br)cc1 31738366 XZFAEKDEAQZKCN-NSHDSACASA-N 320.321 4.456 50 40 DIGB in-vitro O=C(NN=C1CCCCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 408824981 CMONIIFYMVHIOG-UHFFFAOYSA-N 323.780 4.078 50 40 DIGB O=C(Nc1cccc2ccccc12)OCCCBr 1765881 SGOOAQQRRCLWBX-UHFFFAOYSA-N 308.175 4.173 50 40 DIGB CC1=CCCC(C)(C)[C@@H]1/C=C/C(C)=N/NC(=O)c1ccncc1 6053570 CPGXRADLCQBPSJ-FUHMMZPESA-N 311.429 4.126 50 40 DIGB O=C(CSCc1ccc(Cl)cc1)NN=C1CCCCC1 20248112 GKNSSRZHSLZXSC-UHFFFAOYSA-N 310.850 4.010 50 40 DIGB Cn1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c2ccccc21 108052408 WPTYDTYJNCWCEZ-ZROIWOOFSA-N 303.321 4.151 50 40 DIGB CCC[C@H](I)CC(F)(F)C(F)(F)F 98210384 KICGRDMJLPOUCU-YFKPBYRVSA-N 316.051 4.178 50 40 DIGB ClC[C@H](CBr)OCc1cccc2ccccc12 110748135 RRPHWTQQOKSZKL-ZDUSSCGKSA-N 313.622 4.359 50 40 DIGB N#C/C(=C/c1ccc(O)c(Cl)c1)c1cccc([N+](=O)[O-])c1 35153735 IUWVCEPDRIQRPO-SDQBBNPISA-N 300.701 4.018 50 40 DIGB O=C(N/N=C\c1cccc(F)c1)c1ccc(-c2ccccc2)cc1 32578323 QHYFDFDEAJHEDP-HMAPJEAMSA-N 318.351 4.257 50 40 DIGB COc1cc(C(=O)CCCCCl)ccc1Br 309208535 CVBCGPCTCGXWGI-UHFFFAOYSA-N 305.599 4.050 50 40 DIGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)Sc1nc2ccccc2[nH]1 408598480 BHBILUWIKUMOAG-UKTHLTGXSA-N 322.349 4.128 50 40 DIGB COc1cc(F)c(C(=O)CCCCCBr)cc1F 575361742 BVZAUPREHZHOBW-UHFFFAOYSA-N 321.161 4.111 50 40 DIGB COc1cccc(/C=C(/C#N)c2nc(C)cs2)c1OC(C)C 48333955 USBWKPIEXSNAJT-ZSOIEALJSA-N 314.410 4.312 50 40 DIGB C/C(=N\NC(=O)Cc1cccc2ccccc12)[C@H]1C[C@@H]2CC[C@@H]1C2 100064560 FSOLBJWJEBJTHW-UCOCAXKOSA-N 320.436 4.311 50 40 DIGB N#C/C(=C/c1ccc(Cl)s1)C(=O)Nc1ccc(F)cc1 208303084 XLCYLMLPBIRNLX-CLFYSBASSA-N 306.749 4.086 50 40 DIGB Cc1cc(-c2ccc(C=C(C#N)C#N)o2)ccc1Br 58832598 CBMCMZFGYJYGEX-UHFFFAOYSA-N 313.154 4.448 50 40 DIGB O=C(CSCc1ccccc1Cl)NN=C1CCCCCC1 320364 BJZWUGCDCICJQL-UHFFFAOYSA-N 324.877 4.400 50 40 DIGB CO[C@@H](C(=O)NN=C1CCC(C(C)(C)C)CC1)c1ccccc1 567154 XBIYQCWFBGTBOM-OMOCHNIRSA-N 316.445 4.083 50 40 DIGB COc1cc2c(cc1OC)C(CCCCCl)=NC(C)(C)C2 1819465 VOLLMMDQIFWZHM-UHFFFAOYSA-N 309.837 4.237 50 40 DIGB O=C(NN=C1CCCCCCC1)c1cc2ccccc2cc1O 6342672 NAHUCIIJYLDNHK-UHFFFAOYSA-N 310.397 4.376 50 40 DIGB CCc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 28699919 VIONPRATMUPBCA-NTEUORMPSA-N 318.336 4.098 50 40 DIGB CC(C)c1ccc(C[C@H](C)/C=N/NC(=O)c2ccccc2O)cc1 4091401 WATPREARXLCMAM-PCXKXAPESA-N 324.424 4.110 50 40 DIGB CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1CC 6959863 OOTBQGABOINBIM-GHRIWEEISA-N 320.392 4.193 50 40 DIGB CC1=C(/C=C\C(C)=N/NC(=O)c2ccncc2)C(C)(C)CCC1 17311016 DVRXMZOCRXBBNX-YPGPPQOYSA-N 311.429 4.270 50 40 DIGB CC/C(=N\NC(=O)c1cccc2ccccc12)c1ccc(O)cc1 13957682 NWWHFJMEGZLFRQ-XUTLUUPISA-N 318.376 4.090 50 40 DIGB CCCCOc1cc(/C=C(\C#N)C(=O)[C@@H](C)CC)ccc1OC 96316130 BIXVXYIYKFPDAW-LUYJPIOASA-N 315.413 4.396 50 40 DIGB O=C(CN1CCCCC1)NN=C1CCCCCCCCCCC1 313869 DIJOGBXAZCTUAP-UHFFFAOYSA-N 321.509 4.249 50 40 DIGB CC[C@@H](C)O[C@H](c1ccc2c(c1)OCO2)[C@@H](C)Br 5218007 OYIKWJICWNLAOW-RULNRJAQSA-N 315.207 4.055 50 40 DIGB CC(C)NC(=O)/C(C#N)=C\c1c2ccccc2cc2ccccc12 33328977 VNUUNPYHYZMBNA-ATVHPVEESA-N 314.388 4.425 50 40 DIGB CCCCc1ccc(N/C=C2/C(=O)OC(=O)c3ccccc32)cc1 103168644 UEDFZDFDGDOMGV-QGOAFFKASA-N 321.376 4.179 50 40 DIGB COc1cc(Cl)c(/C=C(\C#N)c2cccc(C#N)c2)cc1OC 34857040 SEHRRVQGWHIQNQ-VIZOYTHASA-N 324.767 4.293 50 40 DIGB CCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1C 77358267 DMFSHUCVFZXBSS-WQRHYEAKSA-N 321.424 4.287 50 40 DIGB O=C(N/N=C/[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(Cl)cc1Cl 100517889 IHWVROKCASYHCP-JOSFDWTKSA-N 311.212 4.145 50 40 DIGB O=P(O)(O)CCCCCCCCCCCBr 166335504 JYJGUVBRUDLLLY-UHFFFAOYSA-N 315.188 4.070 50 40 DIGB CC(C)OC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)o1 173433 REUQPFHXGISZIQ-FMIVXFBMSA-N 315.756 4.459 50 40 DIGB CC(C)(C)OC(=O)Nc1ccc(CBr)c(F)c1 95756464 ZCMUGDYQSIJIOR-UHFFFAOYSA-N 304.159 4.068 50 40 DIGB COc1ccc(C(=O)[C@H](Br)c2ccccc2)cc1F 499837 QYJSFUBOTZZDPO-CQSZACIVSA-N 323.161 4.153 50 40 DIGB CC(C)(C)C(=O)/C(C#N)=C(/O)Nc1cccc(C(F)(F)F)c1 100073230 OCPHINHJRUQTHU-ACCUITESSA-N 312.291 4.026 50 40 DIGB CCC(C)(C)OOC(C)(C)C#C[C@@]1(O)C[C@@H]2CC[C@]1(C)C2(C)C 101265972 BGJBEAJSJIYELC-CWFSZBLJSA-N 322.489 4.483 50 40 DIGB Cc1ccc2oc(-c3ccc(C)c(NC(=O)CCl)c3)nc2c1 216858843 JMCDZONCKZNECK-UHFFFAOYSA-N 314.772 4.289 50 40 DIGB COc1cccc(/C=C(/C#N)c2nc3ccccc3s2)c1OC 33377968 BMLFYWHZDUSSLK-RAXLEYEMSA-N 322.389 4.378 50 40 DIGB CCCCc1ccc(N/C=C(\C#N)C(=O)Nc2ccccc2)cc1 57413886 OKJNNHJRCIWYBI-BMRADRMJSA-N 319.408 4.487 50 40 DIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(C)C)cc1 207691917 YKWLIHNFDYCIFR-ATVHPVEESA-N 320.392 4.328 50 40 DIGB N#C/C(=C/c1ccc(Cl)s1)c1nc2ccc(F)cc2[nH]1 408569461 NXKVEAAKBNHFKR-YVMONPNESA-N 303.749 4.481 50 40 DIGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cccs1 408801049 RKYNAJPWCYOQHG-DHZHZOJOSA-N 302.786 4.256 50 40 DIGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cccc2ccccc12 7157972 NUPPNTRVGDDCKI-DTUVNQCPSA-N 318.420 4.442 50 40 DIGB Cc1ccc(P(c2cccc(C)c2)c2cccc(C)c2)cc1 104157685 ZCEFWXPOSWTCGQ-UHFFFAOYSA-N 304.373 4.370 50 40 DIGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccco2)cs1 4291972 UHIQNLMNMMGUFD-XYOKQWHBSA-N 323.333 4.375 50 40 DIGB N#C/C(=C/c1cccc(Br)c1)C(=O)c1ccccc1 17197872 GQISNJNSOANZHL-ZROIWOOFSA-N 312.166 4.239 50 40 DIGB Cc1cc(C(=O)CCl)c(C)n1CCc1ccc(Cl)cc1 3326648 PBBZQGGDDNSZDP-UHFFFAOYSA-N 310.224 4.423 50 40 DIGB N#C/C(=C/c1ccccc1[N+](=O)[O-])c1nc2ccccc2s1 4995444 BWXNFWQWMRNUBQ-XFXZXTDPSA-N 307.334 4.269 50 40 DIGB CCCCCCSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1 2296260 IUMRBMNVLDIGOM-OAHLLOKOSA-N 314.454 4.339 50 40 DIGB CCCCCCCCCCc1nnc(NC(=O)CCl)s1 3321786 KKWKDPXDLJKHIV-UHFFFAOYSA-N 317.886 4.399 50 40 DIGB CCC/C(=N/NC(=O)c1ccc(Cl)cc1)c1ccccc1 4402060 SFEODLYCSDRABT-MNDPQUGUSA-N 300.789 4.274 50 40 DIGB Cc1c(CCCl)c(N=[N+]=[N-])n2c(nc3ccccc32)c1C#N 16958385 AKNJQLUSTDVMMT-UHFFFAOYSA-N 310.748 4.391 50 40 DIGB COc1ccc(C(=O)CCCCCBr)c(Cl)c1 139754749 BTSGQOPAAYESRM-UHFFFAOYSA-N 319.626 4.487 50 40 DIGB Cc1ccccc1C(=O)Oc1c(C)cc(C(=O)Cl)cc1C 218716271 BLJCWVBGQSXIDU-UHFFFAOYSA-N 302.757 4.210 50 40 DIGB O=c1[nH]c(C(Cl)Cl)nc2scc(-c3ccccc3)c12 388011 AJKBRUKJZJQOGQ-UHFFFAOYSA-N 311.193 4.128 50 40 DIGB CCCC/C(C)=N/NC(=O)CSCc1ccccc1Cl 4578326 GXOPGRGXGHSWFY-SFQUDFHCSA-N 312.866 4.256 50 40 DIGB CCC/C(=N/NC(=O)c1cccc(Cl)c1)c1ccccc1 12403859 WVVDZNSMZFCITH-MNDPQUGUSA-N 300.789 4.274 50 40 DIGB C/C(=N\NC(=O)CSCc1ccc(Cl)cc1)C(C)(C)C 20248169 LOQCDIQXRPGDFP-GZTJUZNOSA-N 312.866 4.111 50 40 DIGB C/C(=N\NC(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1ccc2ccccc2c1 252394249 CELGZIBYWXIOML-QNMNQIOASA-N 306.409 4.116 50 40 DIGB CCOc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1 408566262 FLTFPEBSLPXHEK-LCYFTJDESA-N 307.328 4.165 50 40 DIGB CCOc1cccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)c1 408582668 OQWPXRHZYFPNCI-MHWRWJLKSA-N 309.365 4.167 50 40 DIGB C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1 408942289 YWTIWYQLEZOELX-ATVHPVEESA-N 318.376 4.106 50 40 DIGB CCCCCCCCCC(=O)N/N=C(\C)c1ccc(N)cc1 97965644 LLGYSKDQSVXCHC-HMMYKYKNSA-N 303.450 4.250 50 40 DIGB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)N/N=C\c1ccccc1Cl)C2 100261324 VSYQPZXMQOGAJS-MJTLQCJBSA-N 316.832 4.173 50 40 DIGB O=C(N/N=C/[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(Cl)cc1Cl 100517886 IHWVROKCASYHCP-VWTXETDKSA-N 311.212 4.145 50 40 DIGB C/C(=N\NC(=O)[C@H](C)Sc1ccccc1)c1ccc(C)cc1 408719710 KNGJHDPXGABLPM-FHHIAAGZSA-N 312.438 4.016 50 40 DIGB N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 5560517 OESGKMPECFESSE-NTEUORMPSA-N 301.267 4.495 50 40 DIGB COc1ccc([C@H](Cl)C(Cl)(Cl)Cl)cc1OC 162795 AVANJYCNHDNKEL-VIFPVBQESA-N 304.000 4.354 50 40 DIGB Cc1ccc(/N=C(O)/C(C#N)=C/c2cccs2)c([N+](=O)[O-])c1 4662624 GQYMYOBWCAECJR-DHZHZOJOSA-N 313.338 4.160 50 40 DIGB CCOc1ccccc1/C=C(/C#N)c1nc2ccc(C)cc2[nH]1 33391481 XGTNVYASEJTGBX-PTNGSMBKSA-N 303.365 4.334 50 40 DIGB N#C/C(=C\c1ccc(F)c(Br)c1)c1ccccn1 5128584 KHAMUFKRSNTCOI-YRNVUSSQSA-N 303.134 4.047 50 40 DIGB COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2O)cc1OC 6490727 MGADROKEOKYDPY-NTUHNPAUSA-N 315.756 4.127 50 40 DIGB CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)N(CC)CC 7007343 OQQDZFQCRJBETM-DTQAZKPQSA-N 322.408 4.014 50 40 DIGB O=C(CCCCCc1cccs1)NNc1ccc(F)cc1 67246648 CKXFORMZKSHPJJ-UHFFFAOYSA-N 306.406 4.133 50 40 DIGB O=C(CCl)Nc1cccc(-c2nc3ccccc3s2)c1 9236176 IKKWOYOCXJIEKT-UHFFFAOYSA-N 302.786 4.141 50 40 DIGB CC(C)(C)C(=O)/C(C#N)=C\Nc1nc(-c2ccccc2)cs1 13401350 TZDFEVCCLWYADC-RAXLEYEMSA-N 311.410 4.245 50 40 DIGB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@H](Cl)[C@H]2O 118932326 HSXDXEKWMMAMHT-QAZMUZRASA-N 322.876 4.097 50 40 DIGB O=C(Cl)Cc1ccc(-c2nc3ccc(F)cc3s2)cc1 45923157 BNXZSZHDAULDGS-UHFFFAOYSA-N 305.761 4.410 50 40 DIGB COc1ccc2[nH]cc(C(=O)/C(C#N)=C\c3ccccc3F)c2c1 98008677 LVVMYVFMYRJTNK-JYRVWZFOSA-N 320.323 4.105 50 40 DIGB COc1ccc(/C=C(\C#N)c2nc(-c3ccco3)cs2)cc1 4291970 ZTSQXOBVOGNLES-UKTHLTGXSA-N 308.362 4.476 50 40 DIGB CCCc1ccc(/C(C)=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)cc1 6046106 YTTWFUDPHLIIGY-ICFYUTLISA-N 320.436 4.283 50 40 DIGB O=C(N/N=C/c1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 3898686 JOSHXGCWSXUSRB-RGVLZGJSSA-N 316.832 4.007 50 40 DIGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1CC(C)C 13135292 XKNIBNUURXGGEI-WOJGMQOQSA-N 321.424 4.307 50 40 DIGB O=P(NCCCl)(Nc1ccccc1)Nc1ccccc1 104142274 DNTNYXJNQDDYJL-UHFFFAOYSA-N 309.737 4.147 50 40 DIGB COc1cccc(C(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)c1 408774269 UFKXPYFGMJQIIF-KGENOOAVSA-N 324.424 4.147 50 40 DIGB O=C(CBr)c1c2c(cc3c1CCCC3)CCCC2 4974343 NQXPZZHOOSJCRI-UHFFFAOYSA-N 307.231 4.022 50 40 DIGB CSC(=C(C#N)C#N)C1=C(C(C#N)C#N)CC(C)(C)C[C@H]1C 5527950 MOEILERUYXHMGR-LLVKDONJSA-N 310.426 4.067 50 40 DIGB COc1ccc(Cl)cc1/C=C(/C#N)c1cccc([N+](=O)[O-])c1 12393034 GDDSUZVPAWVXCR-QPEQYQDCSA-N 314.728 4.321 50 40 DIGB CCCCOc1ccc(NC(=O)N/N=C\c2cccs2)cc1 16639282 URGVMXNJLUOUJS-ATVHPVEESA-N 317.414 4.083 50 40 DIGB ClC1=C(Cl)[C@@]2(Cl)C[C@@]1(Cl)C[C@@H]2CBr 104327011 LTQYIQCFHYYWHF-BTZDVCGTSA-N 324.860 4.449 50 40 DIGB N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc2ccccc2c1 193886572 NHKMDHWAWUAHHK-GZTJUZNOSA-N 314.344 4.091 50 40 DIGB CCCOC(=O)c1cccc(-c2ccc(/C=C/C(=O)Cl)o2)c1 8729562 WMELSZUUFDEIDL-VQHVLOKHSA-N 318.756 4.292 50 40 DIGB CC(C)C(=O)/C(C#N)=C/c1cccc(OCc2ccccc2)c1 44027222 XDFDLCJCNIKHHE-WOJGMQOQSA-N 305.377 4.398 50 40 DIGB COc1cc(/C=C(/C#N)c2nc3ccccc3s2)ccc1O 59109336 JCELEMZBUWHYOM-WQLSENKSSA-N 308.362 4.075 50 40 DIGB Cc1ccccc1C(=O)N/N=C/c1ccc2c3c(cccc13)CC2 408862926 JJVHLHSBXOFVIM-LPYMAVHISA-N 314.388 4.011 50 40 DIGB O=c1c(-c2ccccc2)coc2cc(OCCCCl)ccc12 2559181 FCCHLEMIHIORFS-UHFFFAOYSA-N 314.768 4.468 50 40 DIGB Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@H]1C 4964907 AWKLFMMLKXGPQU-FKARIMHRSA-N 321.424 4.078 50 40 DIGB COc1c(C)cc(N(CCCl)CCCl)c2ccccc12 1737 CLZXREZAEIUCGG-UHFFFAOYSA-N 312.240 4.441 50 40 DIGB in-man CCc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 212595894 QJALEAFPHDRVPP-PTNGSMBKSA-N 310.784 4.448 50 40 DIGB O=C(Cl)c1cc(-c2cc3ccccc3oc2=O)ccc1Cl 218727011 HTDSHLLLXGXDEK-UHFFFAOYSA-N 319.143 4.492 50 40 DIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)o1 54151 INDUBBXKOQITSD-JXMROGBWSA-N 321.163 4.441 50 40 DIGB CCc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(OC)cc1 140224 WYQXTOIEUJCZJY-SFQUDFHCSA-N 320.392 4.112 50 40 DIGB O=[N+]([O-])c1ccc(S[C@H]2CCCC[C@@H]2Cl)c([N+](=O)[O-])c1 536396 LTAJOOMBQCYMBL-ONGXEEELSA-N 316.766 4.145 50 40 DIGB Cc1cccc2c1Oc1ccccc1[C@@H]2NC(=O)OCCCl 1593436 HKOPPZCNFZSETH-HNNXBMFYSA-N 317.772 4.155 50 40 DIGB Cc1cc(C)c(C(=O)/C=C/N(CCCl)CCCl)cc1C 2146460 QLTPHMHICKVYAP-QPJJXVBHSA-N 314.256 4.088 50 40 DIGB Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1 48333060 QBWACNMHALXWJD-WQLSENKSSA-N 319.332 4.448 50 40 DIGB N#Cc1cccc(C(Br)Br)c1Cl 97950269 KZIUQKCRAYTVFZ-UHFFFAOYSA-N 309.388 4.000 50 40 DIGB COc1cc2c(cc1/C=C(/C#N)c1cccc(Cl)c1)OCO2 15013697 ZUTPFIYDRCLEJT-ACAGNQJTSA-N 313.740 4.141 50 40 DIGB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N/N=C/c1ccccc1Cl)C2 100958880 VSYQPZXMQOGAJS-DIFHSRHFSA-N 316.832 4.173 50 40 DIGB N#C/C(=C/c1ccccc1Br)C(=O)c1ccccc1 17212563 IFOCECLBVDYQHT-UVTDQMKNSA-N 312.166 4.239 50 40 DIGB CC(/C=N\NC(=O)c1cc2ccccc2o1)=C\c1ccccc1 408846541 KKRKFZLXOJLLMB-GKDFUCBUSA-N 304.349 4.252 50 40 DIGB Cc1cccc(C(=O)Oc2c(C)cc(C(=O)Cl)cc2C)c1 218716168 GSSZVKPVVCQNCF-UHFFFAOYSA-N 302.757 4.210 50 40 DIGB CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2CC)c1 6959820 IWYXDPKBDUVHQR-SFQUDFHCSA-N 320.392 4.193 50 40 DIGB CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1 40948858 GMCBFRDNDMQXNR-DTQAZKPQSA-N 306.365 4.021 50 40 DIGB O=P(Nc1ccccc1)(N1CCCCC1)N1CCCCC1 104162582 CVAQMLRBYDQVRF-UHFFFAOYSA-N 307.378 4.178 50 40 DIGB CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(C)cc2C)cc1 216065136 KRKXLQYVKBDHSN-LTGZKZEYSA-N 324.424 4.246 50 40 DIGB CCCCOc1ccc(NC(=O)NN=Cc2cccs2)cc1 245241952 URGVMXNJLUOUJS-UHFFFAOYSA-N 317.414 4.083 50 40 DIGB N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1ccc(F)cc1 79908 PVXXBUPHUVYNNU-SFHVURJKSA-N 316.335 4.197 50 40 DIGB CC(=C/c1ccccc1)/C=C(/C#N)C(=O)Nc1ccc(C)cc1 15012582 JLPLXFXFKFBXBU-QKMFDWEGSA-N 302.377 4.487 50 40 DIGB CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1F 5644373 AEQOMZREJBBDAZ-RVDMUPIBSA-N 324.355 4.159 50 40 DIGB C#CCOc1ccc(/C=C(\C#N)c2ccc(OC)cc2)cc1Cl 408582706 PEUXXPCECWMQRM-LFIBNONCSA-N 323.779 4.425 50 40 DIGB CC(C)C(=NNC(=O)c1ccc(Cl)cc1Cl)C(C)C 4503655 UHFPVLOSDZBBNB-UHFFFAOYSA-N 301.217 4.391 50 40 DIGB ClC1=C(Cl)[C@@]2(Cl)C[C@@H](Cl)[C@H]1C2(Cl)Cl 104125630 LNXRPBYDAMRYDD-SAMGZKJBSA-N 300.827 4.468 50 40 DIGB O=C(CCl)N(CC1CCCCCCC1)c1cccc(O)c1 199757513 LRSQFYJAYQEEJZ-UHFFFAOYSA-N 309.837 4.325 50 40 DIGB C[C@H]1CCc2sc(C(=O)Oc3ccc([N+](=O)[O-])cc3)cc2C1 3449282 PEGIZKJTHRHNNG-JTQLQIEISA-N 317.366 4.000 50 40 DIGB CCc1cccc(C(C)(C)C)c1N/C(S)=N/C=C(C#N)C#N 5549449 AYTOEJRXLPWOKB-UHFFFAOYSA-N 312.442 4.175 50 40 DIGB N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)c1cccc(Cl)c1 36127388 VKUYMTUFZXCMQH-WUXMJOGZSA-N 300.701 4.018 50 40 DIGB COc1ccc(C(=O)CCCCBr)c(Cl)c1 309218046 MLYMOLJOEWJZTQ-UHFFFAOYSA-N 305.599 4.097 50 40 DIGB N#C/C(=C/c1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 408545563 ZWLHLMNWZWJSLO-ZROIWOOFSA-N 317.266 4.468 50 40 DIGB Cc1ccc(/C=C(\C#N)c2nc(O)c3ccc(Cl)cc3n2)cc1 5072645 CWXVWKZIHZZZKP-MDWZMJQESA-N 321.767 4.361 50 40 DIGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(N)=S 5610836 WBSBYWHJBZRVLP-VMPITWQZSA-N 323.204 4.446 50 40 DIGB COc1ccc(/C(C)=N/NC(=O)c2ccc3ccccc3c2)cc1 253575191 UHKLBQPCQASXFQ-KGENOOAVSA-N 318.376 4.002 50 40 DIGB C/C(=N\NC(=O)CSCc1cc(C)cc(C)c1)C(C)(C)C 59503564 WQFBHBSYPZIQKJ-NBVRZTHBSA-N 306.475 4.075 50 40 DIGB CC1(C)OC12[C@@H]1c3ccccc3[C@H]2[C@H]2[C@H](Cl)C=C[C@H](Cl)[C@H]12 104292039 YVVUKDJPPRPXMP-CBKHLSPTSA-N 321.247 4.446 50 40 DIGB CC1(C)[C@]2(C)CC[C@@]1(c1ccccc1)[C@@H](Br)C2=O 225804983 ZHTZCIKTGQWAAG-APHBMKBZSA-N 307.231 4.097 50 40 DIGB CC[C@H]1C[C@@](C)(CC)N2C(=O)C(=C(C#N)C#N)c3cc(C)cc1c32 9190039 JOOCMWMJAIOYEE-RNODOKPDSA-N 319.408 4.208 50 40 DIGB C/C(=N\NC(=O)c1cccs1)c1cc(Cl)ccc1Cl 372941 CMDKZLSXVLUROF-LZYBPNLTSA-N 313.209 4.209 50 40 DIGB C[C@@]12CC3CC(SCCNC(=N)CCl)(C1)C[C@](C)(C3)C2 1733117 DRJKWNAUMZICSC-PYCGDYPRSA-N 314.926 4.274 50 40 DIGB CC(C)(C)c1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1 30822095 KTQFOCBQEQHWAI-NDENLUEZSA-N 314.816 4.401 50 40 DIGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CCc1ccccc1 409119226 RUEPSFALBWSSEM-OQKWZONESA-N 322.452 4.479 50 40 DIGB CC(C)C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccccc1 4646910 XGSYGELJAQCVHF-DWJXUKQQSA-N 320.436 4.357 50 40 DIGB CC(C)(C)OC(=O)N(Nc1ccccc1)C(=O)OC(C)(C)C 36533208 OUFGITXACHEQGI-UHFFFAOYSA-N 308.378 4.186 50 40 DIGB Cc1csc(/C(C#N)=C\c2cc(Br)cs2)n1 48333176 LPMNJENUYUZGNO-WAPJZHGLSA-N 311.229 4.340 50 40 DIGB C[C@@H](Br)C(=O)n1c2ccccc2c2ccccc21 16930553 QPIGNSIRZJTBMI-SNVBAGLBSA-N 302.171 4.218 50 40 DIGB CC(C)(C)C(=O)/C(C#N)=C/Nc1ccc(F)cc1C(F)(F)F 100943705 NKENTVXXQAWQEV-CMDGGOBGSA-N 314.282 4.279 50 40 DIGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)c(O)c(C)c2)c1C 108278714 MZMBRLLHGKETNV-YVLHZVERSA-N 320.392 4.172 50 40 DIGB C[C@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)o1 4306480 WUUIXHOOCKICNO-SBNHVRHQSA-N 310.328 4.088 50 40 DIGB C/C(=N/NC(=O)CNc1ccccc1C)c1ccc(C(C)C)cc1 16157819 ZFHHICFBDDBSAE-JWGURIENSA-N 323.440 4.071 50 40 DIGB CCCCCC(=O)N/N=C(\C)c1ccc(N2CCCCC2)cc1 4619418 UECHFQFDLNJJIO-CAPFRKAQSA-N 315.461 4.097 50 40 DIGB C=CCOC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)o1 13764461 WPEWAMPSKGNXEM-JLHYYAGUSA-N 313.740 4.236 50 40 DIGB O=C(N/N=C1\CC2C[C@H]3CC1C[C@H](C2)C3)[C@H]1C[C@H]1c1ccccc1 101461881 XZHMXVPECLRWSD-ZEYOCGKISA-N 322.452 4.109 50 40 DIGB C=CCCCCCCCCC(=O)NNC1=CC(=O)CC(C)(C)C1 4535562 SPPYNYZUSYMNPW-UHFFFAOYSA-N 320.477 4.187 50 40 DIGB CC(C)/C(=N\NC(=O)c1cccc(Cl)c1)c1ccccc1 5380200 YGZVFKFRGMYTKC-KNTRCKAVSA-N 300.789 4.130 50 40 DIGB C/C(=N/NC(=O)c1ccoc1C)c1ccc(-c2ccccc2)cc1 19835400 IKMNCURPUOSAFJ-STZFKDTASA-N 318.376 4.409 50 40 DIGB CC[C@H](Nc1ccc(Cl)cc1)C(=O)N/N=C1/CCCC[C@@H]1C 28632566 QHPKZVZVZFRKMA-FVXQFDCFSA-N 321.852 4.213 50 40 DIGB COc1cccc(N/C=C(\C#N)c2nc3ccccc3s2)c1 2373228 MBEGPZDKMUUKCJ-VAWYXSNFSA-N 307.378 4.281 50 40 DIGB O=S1(=O)Sc2cc(Cl)ccc2-c2ccc(Cl)cc21 3159921 MKOLGRBFXFMLSW-UHFFFAOYSA-N 317.218 4.455 50 40 DIGB CCCC1CCC(=NNC(=O)c2cc(Cl)ccc2OC)CC1 5457168 HNGSICOJYCHHOP-UHFFFAOYSA-N 322.836 4.425 50 40 DIGB C[C@H]1CC(OC(=O)c2ccccc2)C[C@@H](C)C1Br 2172715 QLLUZMXTUYLRGP-WHCAJBEMSA-N 311.219 4.042 50 40 DIGB Cc1ccc(NNC(=O)c2cc(C)n(C3CC3)c2C)cc1Cl 30553835 GHPTXNRHNQXZRZ-UHFFFAOYSA-N 317.820 4.159 50 40 DIGB CO[Si](CCCCCCCCCCCC#N)(OC)OC 169889798 SFTBFZCLFNNXEU-UHFFFAOYSA-N 301.503 4.289 50 40 DIGB O=C(N/N=C\c1ccc(Cl)s1)Nc1ccccc1Cl 408968260 XQDRLYVXTGSXEK-CHHVJCJISA-N 314.197 4.211 50 40 DIGB CCC[C@H](CNC(=O)CCl)c1ccc(Cl)cc1Cl 3337376 POJIBDPGGAVRCY-SECBINFHSA-N 308.636 4.232 50 40 DIGB CCCCCC(=O)N/N=C/c1cccc(OCc2ccccc2)c1 4113775 SQSJAUOULMXVDU-RCCKNPSSSA-N 324.424 4.296 50 40 DIGB CCOc1ccc(/C=C(\C#N)C(=O)c2ccccc2)c(OCC)c1 59399106 YGDOGXIOXGOXEX-SFQUDFHCSA-N 321.376 4.274 50 40 DIGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cccs1 59473531 RJYWPGGNKFKOPE-VCBXAZPMSA-N 324.858 4.032 50 40 DIGB O=C(CCl)N(CC1CCCCCCC1)c1ccc(O)cc1 199757548 WKPVABLVKDEYOE-UHFFFAOYSA-N 309.837 4.325 50 40 DIGB CCOc1ccccc1/C=C(/C#N)Cn1cnc2ccccc21 408691568 FJNOYUOOMQLIRP-PTNGSMBKSA-N 303.365 4.042 50 40 DIGB O=C(Cc1ccccc1)NN=C1CCC(c2ccccc2)CC1 5373250 VYZFBEKGTPPJII-UHFFFAOYSA-N 306.409 4.059 50 40 DIGB CC(C)Oc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1 71923670 XWRDKMADZHUGKI-WJDWOHSUSA-N 308.337 4.446 50 40 DIGB Cc1nn(Cc2ccc(Br)cc2)c(C)c1N=C=S 2536580 AOSTVPUKWNVMLT-UHFFFAOYSA-N 322.231 4.045 50 40 DIGB CC(C)C(=O)/C(C#N)=C\c1cccc(OCc2ccccc2)c1 48313298 XDFDLCJCNIKHHE-WQRHYEAKSA-N 305.377 4.398 50 40 DIGB Cc1ccc(-c2nc(NC(=O)CCl)sc2C)cc1Cl 160599 GYWAZGAVHIGKHC-UHFFFAOYSA-N 315.225 4.258 50 40 DIGB COc1cc(N2CCCC2)ccc1/C=C(/C#N)c1ccc(F)cc1 12363725 JPFSZQLLHHEAGU-ATVHPVEESA-N 322.383 4.499 50 40 DIGB Cc1ccc(C(=O)N/N=C\c2c(Cl)cccc2Cl)cc1 33319312 AVMXFWXWGYGRBW-NVMNQCDNSA-N 307.180 4.066 50 40 DIGB C[C@](Cl)(CCl)C(=O)Nc1ccc(Cl)c(Cl)c1 3066467 YTTDXMSETANSQO-JTQLQIEISA-N 301.000 4.168 50 40 DIGB N#C/C(=C\c1cc(Br)cs1)C(=O)c1ccccc1 4323249 AOMCGLNTASJYOH-IZZDOVSWSA-N 318.195 4.300 50 40 DIGB O=C(N/N=C/[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(Cl)cc1Cl 101114022 IHWVROKCASYHCP-PYBBJBRHSA-N 311.212 4.145 50 40 DIGB N#C/C(=C/c1c(O)ccc2ccccc12)C(=O)Nc1ccccc1 15220518 JJHQNRGPQFIRLP-QINSGFPZSA-N 314.344 4.091 50 40 DIGB CCCCCCCCNC(=O)/C(C#N)=C\c1ccc(F)cc1 102989957 KUZAAOIIYCOKSE-SSZFMOIBSA-N 302.393 4.209 50 40 DIGB COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OCC#N 107602816 RFMIYQHGLIYUHQ-DHDCSXOGSA-N 324.767 4.315 50 40 DIGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cccc(Cl)c1 408754541 RFAVICNSJOOEGO-ZROIWOOFSA-N 324.767 4.088 50 40 DIGB CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C 409005989 GUMJFYMQLRMGTF-WOJGMQOQSA-N 322.408 4.181 50 40 DIGB COc1ccc(Cl)c(C(=O)CCCCCBr)c1 575360614 NEEATJNFZMPGAN-UHFFFAOYSA-N 319.626 4.487 50 40 DIGB C[C@H](Cl)[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1 5515662 SPONJSZVBUIGEY-SWLSCSKDSA-N 305.830 4.413 50 40 DIGB COc1cccc(C(=O)N/N=C(\C)c2ccc3ccccc3c2)c1 5621160 JCEBNZWKOKRGCX-KGENOOAVSA-N 318.376 4.002 50 40 DIGB CCCC/C(=N/NC(=O)COc1ccccc1C)c1ccccc1 34106659 KMHGAOZPFONHHO-UZYVYHOESA-N 324.424 4.085 50 40 DIGB CCOc1cccc(/C=N/NC(=O)c2ccc3ccccc3c2)c1 408599018 NTBLITIBOLEMDB-KGENOOAVSA-N 318.376 4.002 50 40 DIGB Cc1cccc(C(=O)N/N=C/c2ccc(-c3ccccc3)o2)c1 409005605 FNBMMSBREVWOKV-DEDYPNTBSA-N 304.349 4.019 50 40 DIGB N#CC1=C(c2ccccc2)/C(=C/c2ccc(Cl)cc2)OC1=O 5279136 IVAQWRMCZKWOLS-YBEGLDIGSA-N 307.736 4.215 50 40 DIGB CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C 6950870 LNVQTHQJWGPEGJ-SFQUDFHCSA-N 320.392 4.248 50 40 DIGB COc1ccc(C(=O)[C@H](Br)c2ccc(C)cc2)cc1 40163765 DLFYSIDXSYPCMV-OAHLLOKOSA-N 319.198 4.323 50 40 DIGB N#C/C(=C/c1ccc(Br)cc1)C(=O)c1ccccc1 17197867 WTUZMXYGGSXQSH-UVTDQMKNSA-N 312.166 4.239 50 40 DIGB COc1ccc(/C(C#N)=C2\C=C(Cl)/C(=N/O)C=C2Cl)cc1 100405551 QMLYOPFBIJNSGD-IHFZGXTKSA-N 321.163 4.062 50 40 DIGB COC(=O)[C@@H](Cl)Cc1ccc(OCC2(C)CCCCC2)cc1 6202069 DVYYNRIKYRXTOM-INIZCTEOSA-N 324.848 4.359 50 40 DIGB in-vitro N#C/C(=C\c1cccc(C#N)c1)c1nc(-c2ccccn2)cs1 96310742 DGGZVDVMTHCFOK-OQLLNIDSSA-N 314.373 4.141 50 40 DIGB CCOc1ccccc1/C=C(/C#N)c1nc2ccc(F)cc2[nH]1 408567910 GTLHRYGFOGWORB-LCYFTJDESA-N 307.328 4.165 50 40 DIGB CCCOc1ccccc1/C=C(\C#N)c1nc2ccccc2[nH]1 4696819 FAIDRBCIWGEACJ-NTCAYCPXSA-N 303.365 4.416 50 40 DIGB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(CSC#N)CSC#N)C2 101141947 BYRAKYAIGXNFDZ-WHOFXGATSA-N 310.488 4.015 50 40 DIGB COc1ccc(/C(C#N)=C2\C=C(Cl)/C(=N\O)C=C2Cl)cc1 5639869 QMLYOPFBIJNSGD-NMYIEGGISA-N 321.163 4.062 50 40 DIGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1 28356294 JANRCDVRSMOUNO-SAPNQHFASA-N 320.392 4.411 50 40 DIGB N#C/C(=C\c1ccccc1O)c1ccc(Br)cc1 408581288 WAOOGLHUNNCFPG-UKTHLTGXSA-N 300.155 4.219 50 40 DIGB CCn1c2ccccc2c2cc(NC(=O)NCCCl)ccc21 3205086 UMEGMMBLMDFUHX-UHFFFAOYSA-N 315.804 4.175 50 40 DIGB FC(F)(F)C(F)(F)P(c1ccccc1)c1ccccc1 102896079 PEVPYFJDZKYVEE-UHFFFAOYSA-N 304.198 4.274 50 40 DIGB Cc1nn(C(=O)CCCCl)c(C)c1Sc1ccccc1 3176437 AVOGQCZNNKCKRL-UHFFFAOYSA-N 308.834 4.310 50 40 DIGB N#Cc1c(NC(=O)CCCCl)sc2c1CCCCCC2 5897512 LNBZIUJZZBBQLO-UHFFFAOYSA-N 310.850 4.236 50 40 DIGB CC(C#N)=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 38337678 FPPKAUSYJLGIJC-UHFFFAOYSA-N 305.425 4.164 50 40 DIGB CC(C)c1ccccc1OCC(=O)NN=C/C=C/c1ccccc1 245241761 OINIDYBDDYSBCR-ABOJPNFUSA-N 322.408 4.004 50 40 DIGB O=C(N/N=C/c1ccc(Cl)s1)c1cccc2ccccc12 5704984 XGCKCFCMKCBJML-VCHYOVAHSA-N 314.797 4.319 50 40 DIGB C/C(=N/NC(=O)c1cccs1)c1ccc(Cl)cc1Cl 13660033 VBONNHHPHCUKTK-PXNMLYILSA-N 313.209 4.209 50 40 DIGB COc1cccc(C=C(C#N)C#N)c1OCc1ccc(Cl)cc1 48545425 VEIWNOBORQYCCF-UHFFFAOYSA-N 324.767 4.358 50 40 DIGB N#C/C(=C\c1ccc(O)c(Br)c1)c1ccccc1 408738136 PXXAAFLEOGJBMN-MDWZMJQESA-N 300.155 4.219 50 40 DIGB CCCCO[C@@H](c1ccc2c(c1)OCO2)[C@H](C)Br 1614617 NCEMSXOKWQLAJE-IINYFYTJSA-N 315.207 4.057 50 40 DIGB CC[C@@H](Nc1ccc(Cl)cc1)C(=O)NN=C1CCCC[C@@H]1C 5909962 QHPKZVZVZFRKMA-SWLSCSKDSA-N 321.852 4.213 50 40 DIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2sccc2C)cc1 33328973 PJWPNYKQDYPSBG-RAXLEYEMSA-N 312.394 4.001 50 40 DIGB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)NN=Cc1ccccc1Cl)C2 251204144 VSYQPZXMQOGAJS-KBXCAEBGSA-N 316.832 4.173 50 40 DIGB N#C/C(=C\c1c(F)cccc1Cl)c1cccc([N+](=O)[O-])c1 615257 RQRRLNDTJWADBP-DHZHZOJOSA-N 302.692 4.451 50 40 DIGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(C)cc2)cc1 1319505 IMVNMEWDEWEJQJ-REIAIGDLSA-N 324.424 4.038 50 40 DIGB O=C(Nc1ccc(N2CCCC2)cc1)[C@H](Cl)c1ccccc1 1393215 IMVSMUOZFQLCDA-QGZVFWFLSA-N 314.816 4.205 50 40 DIGB aggregator CO[C@@H](c1ccccc1)[C@@H](Br)C(=O)c1ccccc1 1744885 LZCOBRLMPXIBBA-HOCLYGCPSA-N 319.198 4.021 50 40 DIGB N#C/C(=C\c1cc(Br)ccc1F)c1ccccn1 5068321 INKZUXKRYDQOLN-YRNVUSSQSA-N 303.134 4.047 50 40 DIGB CCc1ccc(/C(C)=N\NC(=O)c2cccc(Cl)c2)cc1 14923154 UJHKHCYNFDTKGN-UNOMPAQXSA-N 300.789 4.056 50 40 DIGB C=CCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104186899 ZASYOFCTKYEXCQ-UHFFFAOYSA-N 318.400 4.289 50 40 DIGB COc1ccc(C2=CC(=C(C#N)C#N)c3cc(C)ccc3O2)cc1 132547 GCJJMRUNHXOBOS-UHFFFAOYSA-N 314.344 4.238 50 40 DIGB C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 14003103 LAYUSWQFQPYXBR-YBFXNURJSA-N 321.207 4.076 50 40 DIGB C/C(=N\NC(=O)CCSc1ccccc1)c1ccc(C)cc1 59473755 TZFZNLLVKSJJAR-XDJHFCHBSA-N 312.438 4.018 50 40 DIGB C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)C1 100505486 KATNNXZDWUXEDO-FCPIFDEUSA-N 308.425 4.195 50 40 DIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(C)c1 408794086 HVBLIKXEJAPVOB-GZTJUZNOSA-N 320.392 4.166 50 40 DIGB Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)NC1CCCCCC1 1456697 FIKVNMSYMSHJKV-NTCAYCPXSA-N 321.424 4.222 50 40 DIGB BrCc1ncc(-c2ccc3c4c(cccc24)CC3)o1 85393935 IFQAMJOFKKMLGJ-UHFFFAOYSA-N 314.182 4.488 50 40 DIGB Cc1cc(C)c(S(=O)(=O)C[C@@H](Cl)c2ccccc2)c(C)c1 1725437 UTKPPSFDXPLIGT-MRXNPFEDSA-N 322.857 4.366 50 40 DIGB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)CCCl 4904102 ZYDWXMRGWONUDZ-UHFFFAOYSA-N 314.772 4.371 50 40 DIGB C/C(=N\NC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 5370385 ATAWGLLQTWPSSZ-VCHYOVAHSA-N 307.180 4.147 50 40 DIGB O=C(Nc1ccccc1Br)c1ccc(CCl)cc1 36929980 HMEATFVAXCODHN-UHFFFAOYSA-N 324.605 4.440 50 40 DIGB C[C@]12CC[C@H](c3nc4ccccc4nc31)[C@@]2(C)CBr 1314436 ZRRCOFSLOVSUTR-HPEXNQPKSA-N 317.230 4.180 50 40 DIGB O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1Cl 4503089 VKDWNUZMNZBWOY-UHFFFAOYSA-N 312.108 4.121 50 40 DIGB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@H](Cl)[C@@H]2O 4802329 HSXDXEKWMMAMHT-KYQPOWKGSA-N 322.876 4.097 50 40 DIGB biogenic,in-vitro CC1=C(/C=C/C(C)=N/NC(=O)c2ccncc2)C(C)(C)CCC1 5296161 DVRXMZOCRXBBNX-QRYGRCDUSA-N 311.429 4.270 50 40 DIGB Cc1cc2c(c(=O)o1)C=C(O[Si](C)(C)C(C)(C)C)[C@@H](C)O2 196280382 BDKJHSGHBBYVPF-LLVKDONJSA-N 308.450 4.092 50 40 DIGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc2[nH]c3ccccc3c2c1 408799861 IRIIRHVATQJVQI-QQFZQELXSA-N 317.392 4.143 50 40 DIGB CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(CC)cc1 3616068 YPEPXENKSUWZDX-GHRIWEEISA-N 320.392 4.193 50 40 DIGB CCOc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)ccc1O 17054907 CIXKKPXTRQYOTR-ZROIWOOFSA-N 319.364 4.040 50 40 DIGB CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C)c1 40948859 KLDCALYTKHVIST-GHRIWEEISA-N 320.392 4.330 50 40 DIGB C[C@H](NC(=O)/C(C#N)=C/c1ccc([C@H]2C[C@@H]2C)o1)c1ccccc1 16967989 WNZKODCEPSIXIA-HNTIIITOSA-N 320.392 4.187 50 40 DIGB C=CCOc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1 408545197 ZUMLZFGPOPATLT-ATVHPVEESA-N 305.333 4.014 50 40 DIGB C/C(=N\NC(=O)C1[C@H]2CCCC[C@@H]12)c1ccc2ccccc2c1 4587717 CELGZIBYWXIOML-IFFSEHRBSA-N 306.409 4.116 50 40 DIGB CC(/C=C/c1ccccc1F)=N\NC(=O)c1cccc(Cl)c1 14923587 SWIJBXDJZBUOAI-IIASEUIPSA-N 316.763 4.298 50 40 DIGB C[C@H]1CCc2sc(C(=O)N/N=C/C3CCCCC3)cc2C1 6052282 XFBSNBWSOLCPID-HWQJWEFDSA-N 304.459 4.169 50 40 DIGB Cc1cc(Cl)ccc1N/C=C(\C#N)C(=O)Nc1ccccc1 57414033 IGCHHUMFUWEAJF-ACCUITESSA-N 311.772 4.107 50 40 DIGB C/C(=N\NC(=O)Cc1cc(C)ccc1C)c1ccc(C)cc1C 409364012 MVTKEAPJLKTULI-HEHNFIMWSA-N 308.425 4.003 50 40 DIGB Cc1ccccc1-c1noc(/C(C#N)=C/c2ccccc2F)n1 9366508 LEPTXYZNRWCSRG-GXDHUFHOSA-N 305.312 4.248 50 40 DIGB Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)o1 15227116 ASVDGDQXYRCRKE-WQLSENKSSA-N 300.745 4.096 50 40 DIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1Cl 408735475 SMHBEQXJCMWGCP-MDWZMJQESA-N 314.747 4.333 50 40 DIGB CC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2cc(C)ccc2C)c1C 6930838 ZUWDBKRZSOAHHQ-RQZCQDPDSA-N 320.392 4.241 50 40 DIGB CCOc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1 6950096 AOCREDWOHBEUMY-GZTJUZNOSA-N 320.392 4.248 50 40 DIGB COc1ccc(/C=C(\C#N)c2nc(C)cs2)cc1OC(F)F 8079701 VWTMOVBCLKVBOK-VZUCSPMQSA-N 322.336 4.126 50 40 DIGB Cc1ccc(N2C(=O)c3ccccc3N[C@@]2(C)CCl)cc1 152614 ZHWSMZIPTHEVFQ-QGZVFWFLSA-N 300.789 4.022 50 40 DIGB in-vitro CCn1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c2ccccc21 107883238 FTGUHCYSZKFXTP-WJDWOHSUSA-N 316.360 4.424 50 40 DIGB Cc1cc(/C=C(\C#N)C(=O)NC(C)C)c(C)n1C1CCCCC1 561209 UDQBUBKNGRKYCD-GZTJUZNOSA-N 313.445 4.042 50 40 DIGB C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(C(C)C)cc1 5413302 MAPLAFROYVGJGX-KASXZYKHSA-N 320.436 4.454 50 40 DIGB COc1ccc2[nH]cc(C(=O)/C(C#N)=C/c3cccc(F)c3)c2c1 40139899 AGKBNMOBYOSAIJ-NTUHNPAUSA-N 320.323 4.105 50 40 DIGB CC(C)(C)C(=O)/C(C#N)=C(/O)Nc1ccc(Cl)c(Cl)c1 100944868 XLGKSRFWGLPWOL-UKTHLTGXSA-N 313.184 4.314 50 40 DIGB CC(C)[C@H](Br)C(=O)Nc1ccccc1C(F)(F)F 19265837 WPRMQAGAUOGBHD-JTQLQIEISA-N 324.140 4.063 50 40 DIGB COc1ccc(-c2csc(/C(C#N)=C3\C=CC=CN3C)n2)cc1 102811760 DAZXUHYORXWRKR-BMRADRMJSA-N 321.405 4.069 50 40 DIGB C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)c2ccccc2Cl)C1 46436 QUGDAOYNZUANFU-OOESYIKTSA-N 302.805 4.358 50 40 DIGB N#CC1=C(N)Oc2ccccc2[C@@H]1c1ccc(Cl)cc1Cl 7516564 MHYFAKZZUJVORC-HNNXBMFYSA-N 317.175 4.212 50 40 DIGB CC(C)(C)c1ccc(/C=N\NC(=O)c2ccccc2Cl)cc1 28616300 XDCNOOHQMCGCKI-NDENLUEZSA-N 314.816 4.401 50 40 DIGB Cc1ccc2c(c1)c1c(n2CCCBr)C(=O)CCC1 1817184 OILUTLMWSORGBS-UHFFFAOYSA-N 320.230 4.254 50 40 DIGB N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)NC1CCCCC1 3253695 NKQDILORNJJMLX-JLHYYAGUSA-N 322.330 4.061 50 40 DIGB COc1ccc(C(=O)N/N=C(\C)CC(C)(C)c2ccccc2)cc1 4502745 BLKMSNDJTGFBFL-RCCKNPSSSA-N 324.424 4.169 50 40 DIGB CC[C@@H]1CCc2c(sc(NC(=O)CCCCl)c2C#N)C1 2743168 BYHVPUXDLQRQCR-SNVBAGLBSA-N 310.850 4.092 50 40 DIGB COc1cc2c(cc1/C=C(/C#N)c1ccc(Cl)cc1)OCO2 15013692 OCXFBOPXNCBVFS-MLPAPPSSSA-N 313.740 4.141 50 40 DIGB O=C(Cc1cccc2ccccc12)N/N=C/c1cccc(Cl)c1 320346 CXSMYAPPBVLPIG-FYJGNVAPSA-N 322.795 4.186 50 40 DIGB CC[C@H](Nc1ccc(Cl)cc1)C(=O)N/N=C1\CCCC[C@@H]1C 15930904 QHPKZVZVZFRKMA-SBKSMOTESA-N 321.852 4.213 50 40 DIGB CC1CCN(c2ccc(Cl)cc2NC(=O)[C@H](C)Cl)CC1 34776726 HICVNPBVJCFDMI-NSHDSACASA-N 315.244 4.142 50 40 DIGB N#C/C(=C/c1ccco1)C(=O)Nc1cccc(Cl)c1Cl 4888928 RVPDXEGIFHTRBW-CLFYSBASSA-N 307.136 4.132 50 40 DIGB COc1ccc(/C(Cl)=C(/C=O)c2ccccc2)cc1OC 17193197 JYUILEZKWSVWEJ-SAPNQHFASA-N 302.757 4.010 50 40 DIGB CN(C)c1ccc(/C=C(/C#N)c2nc3ccccc3s2)cc1 13618838 KEPVWOGMRMBPGI-KAMYIIQDSA-N 305.406 4.426 50 40 DIGB Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1 17030675 HVTYTTXNDWVPFR-SDNWHVSQSA-N 301.349 4.022 50 40 DIGB CC1=C(C#N)C(/C=C(\Cl)c2ccc(C)cc2)C(C#N)=C(C)N1 19691784 NTAFSDVZGWXYEK-LSCVHKIXSA-N 309.800 4.389 50 40 DIGB O=C(NN=C1CCCC1)[C@@H]1CC1(c1ccccc1)c1ccccc1 349050 QTYHZBQOGGOHDX-IBGZPJMESA-N 318.420 4.039 50 40 DIGB C#CCn1cc(/C=C(/C#N)c2ccccc2F)c2ccccc21 33786433 VBXLNIFJLSXJFK-QINSGFPZSA-N 300.336 4.478 50 40 DIGB Cc1ccc(NC(=O)c2ccc(CBr)cc2)cc1 41708745 FKJHSWRCJGZNST-UHFFFAOYSA-N 304.187 4.142 50 40 DIGB O=C(N/N=C/c1cccc(Cl)c1)c1ccc2ccccc2c1 253579743 ZZOZMAIGIAJAIS-UDWIEESQSA-N 308.768 4.257 50 40 DIGB O=C(Cc1cccc2ccccc12)N/N=C\c1ccccc1Cl 31723664 KRBIEXAMLQXTSI-BKUYFWCQSA-N 322.795 4.186 50 40 DIGB COc1ccc2[nH]cc(C(=O)/C(C#N)=C\c3cccc(F)c3)c2c1 44026876 AGKBNMOBYOSAIJ-QPEQYQDCSA-N 320.323 4.105 50 40 DIGB CC(C)(C)c1n[nH]cc1/C=C(\C#N)c1nc2ccccc2s1 60529034 SAGJXAGCMLWBOF-DHZHZOJOSA-N 308.410 4.381 50 40 DIGB CCc1ccc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)s1 409054910 WHUQLMWIFXGJBL-RQZCQDPDSA-N 306.818 4.036 50 40 DIGB CC(C)(CCl)C(=O)Nc1cccnc1Oc1ccc(F)cc1 2152111 RSRNLFTYDUFCHS-UHFFFAOYSA-N 322.767 4.217 50 40 DIGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1 2632705 XXYHKGTWPDNZAX-DTQAZKPQSA-N 306.365 4.021 50 40 DIGB O=C(N/N=C/c1cccc(F)c1)c1ccc(-c2ccccc2)cc1 5685177 QHYFDFDEAJHEDP-HYARGMPZSA-N 318.351 4.257 50 40 DIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(C)C)cc2)cc1 16292983 XHDAPIVTIOKHJP-ATVHPVEESA-N 320.392 4.328 50 40 DIGB CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)[C@@H](C)Cl 223826998 WKPSNINMXDKGPS-NWDGAFQWSA-N 309.837 4.331 50 40 DIGB CCCOc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1 4135532 JXCGTPSVAGUPTH-QINSGFPZSA-N 303.365 4.416 50 40 DIGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1 16439798 YYWROCDZFQWVNH-XYOKQWHBSA-N 300.720 4.025 50 40 DIGB Cc1ccc(NC(=O)/C(C#N)=C\c2c[nH]c3ccccc23)cc1 33328757 XFBRUNBGWNAHMJ-UVTDQMKNSA-N 301.349 4.022 50 40 DIGB C/C(=N\NC(=O)CCc1ccccc1)c1cccc2ccccc12 408950145 GLYOPOMHHMNOFG-CJLVFECKSA-N 316.404 4.313 50 40 DIGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)c(C)cc2C)c1 7158545 GXPIVNPSLAOIJR-WOJGMQOQSA-N 304.393 4.466 50 40 DIGB N#CCn1cc(/C=C(/C#N)c2ccc(F)cc2)c2ccccc21 33684512 BAOWYPVOYVPGBH-PTNGSMBKSA-N 301.324 4.368 50 40 DIGB CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccn1 102131066 RKIXLFKANIBGPS-UHFFFAOYSA-N 320.396 4.176 50 40 DIGB C/C(=N/NC(=O)c1csc(C(C)C)c1)[C@@H]1C[C@H]2CC[C@H]1C2 106271311 JHUFHYHOCVNYCM-WAZWYGCTSA-N 304.459 4.413 50 40 DIGB Cc1cc(/C=C(\C#N)c2ccccn2)c(C)n1Cc1ccco1 7155354 FIIMPSKSOKNPBG-GZTJUZNOSA-N 303.365 4.205 50 40 DIGB CCCCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)OCC 76540928 LAPPCZBDDCXQAR-SSZFMOIBSA-N 323.392 4.489 50 40 DIGB Cc1cccc(Cl)c1N/C=C(\C#N)C(=O)Nc1ccccc1 57414038 IVHYAPJPFROVNN-ACCUITESSA-N 311.772 4.107 50 40 DIGB O=C(CCCC[C@H]1CCSS1)NCCc1ccccc1 79193689 OMJFIOUEIFJIKA-HNNXBMFYSA-N 309.500 4.059 50 40 DIGB biogenic Cc1cc([N+](=O)[O-])c(-c2ccc(C=C(C#N)C#N)o2)cc1Cl 252485427 GVMSCIKPXDOKPA-UHFFFAOYSA-N 313.700 4.247 50 40 DIGB N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccc(F)cc1 79911 PVXXBUPHUVYNNU-GOSISDBHSA-N 316.335 4.197 50 40 DIGB BrCC1O[C@@H](c2ccccc2)[C@H](c2ccccc2)O1 1577609 SBSDJCTZLCKGIV-HOTGVXAUSA-N 319.198 4.237 50 40 DIGB N#C/C(=C\c1ccco1)C(=O)Nc1cc(Cl)ccc1Cl 5769402 GUNHAESDBJQDMZ-RMKNXTFCSA-N 307.136 4.132 50 40 DIGB O=C(N/N=C1\CC2C[C@H]3CC1C[C@H](C2)C3)[C@@H]1C[C@@H]1c1ccccc1 104800676 XZHMXVPECLRWSD-CPRMVSPVSA-N 322.452 4.109 50 40 DIGB O=[N+]([O-])c1ccc(S[C@@H]2CCCC[C@@H]2Cl)c([N+](=O)[O-])c1 536397 LTAJOOMBQCYMBL-GXSJLCMTSA-N 316.766 4.145 50 40 DIGB COc1ccc2c(c1)CCN=C2c1ccccc1CCCCl 1650698 UIDVMLPVHYXTQE-UHFFFAOYSA-N 313.828 4.260 50 40 DIGB CC1=C/C(=N\NC(=O)c2ccc(N/N=C3\C=C(C)CC3)cc2)CC1 4863670 YETOAXYOCURJFU-SVJWQLCWSA-N 322.412 4.021 50 40 DIGB CC(C)(C)OC(=O)n1ccc2cc(CBr)ccc21 79034661 YDMDECBIBMTDPS-UHFFFAOYSA-N 310.191 4.319 50 40 DIGB Fc1c(CBr)ccc(Cl)c1Br 575676789 WMLHPQDISRRVTF-UHFFFAOYSA-N 302.368 4.137 50 40 DIGB O=P(CCl)(OCCCCCl)OCCCCCl 1713305 SLVQUVNQFASIJB-UHFFFAOYSA-N 311.573 4.447 50 40 DIGB CN(Cc1ccccc1)C1=CC2=CC(=C(C#N)C#N)CC[C@@H]2CC1 58158352 ZLZGIHBGGSMCLX-QGZVFWFLSA-N 315.420 4.476 50 40 DIGB Cc1cccc2[nH]cc(C(=O)/C(C#N)=C\c3ccccc3F)c12 82067324 OTBQZROJHFGCSC-ZROIWOOFSA-N 304.324 4.405 50 40 DIGB COc1cc(Cl)c(/C=C(\C#N)c2ccc(C#N)cc2)cc1OC 582335 UCIPHSSVAIMWDT-VIZOYTHASA-N 324.767 4.293 50 40 DIGB CC/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(C)cc1 5384926 CWBYIRJMDDMUNT-RYKSPBIKSA-N 306.409 4.029 50 40 DIGB O=C(CCSc1ccc(Cl)cc1)NN=C1CCCCC1 320374 SFJGHUULJSSFNL-UHFFFAOYSA-N 310.850 4.259 50 40 DIGB C=CCSC1=C(C#N)[C@H](c2cccc3ccccc23)CC(=O)N1 2372178 DEPYYNUTCSHRDD-INIZCTEOSA-N 320.417 4.098 50 40 DIGB CC1=C(/C=C/C(C)=N\NC(=O)c2ccncc2)C(C)(C)CCC1 4521026 DVRXMZOCRXBBNX-ZNOVWMRNSA-N 311.429 4.270 50 40 DIGB CC/C(=N\NC(=O)OC(C)(C)C)c1ccc2c(c1)CCCC2 5482094 KALNCNPMTHAHJD-KNTRCKAVSA-N 302.418 4.204 50 40 DIGB CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)c1ccc(Cl)cc1)C2 4599280 RNUKXTIRNJWGCR-WQUXGXPASA-N 304.821 4.272 50 40 DIGB O=C(/C=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 409056649 HPOVRGKASPOTDE-TYMSIUDLSA-N 319.191 4.157 50 40 DIGB Cc1[nH]c2ccccc2c1/C=C(/C#N)C(=O)Nc1ccccc1 34780463 HVTYTTXNDWVPFR-KAMYIIQDSA-N 301.349 4.022 50 40 DIGB Fc1c(Br)cc(Cl)cc1CBr 575675079 GAHSFXDECFPALI-UHFFFAOYSA-N 302.368 4.137 50 40 DIGB N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ccccc1F 3570285 WJCNVTVKOZMNIP-FMIVXFBMSA-N 300.720 4.025 50 40 DIGB N#C/C(=C/c1cccn1-c1ccccc1)c1nc2ccccc2[nH]1 5595113 PVWJQWFCGZFDDL-SQFISAMPSA-N 310.360 4.418 50 40 DIGB CCC/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1 13476420 KFKMLSMRHRNXER-MPDJFOPNSA-N 306.409 4.111 50 40 DIGB COc1cc(OC)c(/C=C(/C#N)c2ccc(C#N)cc2)cc1Cl 28297231 BCMSOJCLQBCKHC-CHHVJCJISA-N 324.767 4.293 50 40 DIGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1 44026250 LYHVESJRNCUYKT-LFIBNONCSA-N 309.340 4.403 50 40 DIGB CCOc1ccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1 408583101 ROMABSKWHYOUDY-LFIBNONCSA-N 309.365 4.167 50 40 DIGB Cc1ccc2c(Cl)c(C(=O)N/N=C/c3ccoc3)sc2c1 2755441 CUDAUULNWOXDRW-REZTVBANSA-N 318.785 4.220 50 40 DIGB CC(/C=C(/C#N)C(=O)Nc1ccc(C)cc1)=C\c1ccccc1 59335502 JLPLXFXFKFBXBU-GPWQLRHTSA-N 302.377 4.487 50 40 DIGB C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1 408937827 PDEPSRBNRZHDDO-ATVHPVEESA-N 318.376 4.106 50 40 DIGB COc1ccc(/C(C#N)=C2/C=C(Cl)/C(=N\O)C=C2Cl)cc1 16955239 QMLYOPFBIJNSGD-WRLBYYRLSA-N 321.163 4.062 50 40 DIGB N#C/C(=C/c1cccn1-c1ccc(O)cc1)c1ccccc1F 33666696 XCKZQVILNUZLSY-OWBHPGMISA-N 304.324 4.386 50 40 DIGB CCC1CCC(=NNC(=O)c2cc(Cl)ccc2OC)CC1 4155246 ZSEQSIBSPGPMRH-UHFFFAOYSA-N 308.809 4.035 50 40 DIGB CCCCCCCCCCCC[S@@](=O)C[C@@H](Cl)CO 100244485 OZYBGLXHFCSSPV-KXBFYZLASA-N 310.931 4.256 50 40 DIGB C/C(O)=C\[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104173053 NKXRKLWNWCMHMB-ISLYRVAYSA-N 320.372 4.132 50 40 DIGB CC[C@@H](Nc1ccc(Cl)cc1)C(=O)NN=C1CCCC[C@H]1C 5909971 QHPKZVZVZFRKMA-IUODEOHRSA-N 321.852 4.213 50 40 DIGB N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 3902598 QYNUECKCQQWOPT-YRNVUSSQSA-N 324.727 4.189 50 40 DIGB C[C@@H](Cl)C(=O)Nc1nc2c(Cl)cc(Cl)cc2s1 20131933 IEHURCVYEWKVJW-SCSAIBSYSA-N 309.605 4.169 50 40 DIGB COc1ccc(/C=C(/C#N)c2cccc(Cl)c2)cc1[N+](=O)[O-] 408598430 AGDDEVXQNVRVOE-QPEQYQDCSA-N 314.728 4.321 50 40 DIGB Cc1ccccc1/C=N\NC(=O)c1cc2cc(Cl)ccc2o1 409017907 JHLYUVDMYVTIPZ-GRSHGNNSSA-N 312.756 4.159 50 40 DIGB CCc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 59133139 JLMQCGWWLNXBLO-JPVKTXQWSA-N 304.393 4.033 50 40 DIGB C/C(=N\NC(=O)c1csc(C(C)C)c1)[C@@H]1C[C@H]2CC[C@H]1C2 106271306 JHUFHYHOCVNYCM-ISEPTVEOSA-N 304.459 4.413 50 40 DIGB O=[P@@](Cl)(NC12CC3CC(CC(C3)C1)C2)c1ccccc1 104145484 ARBLCPRBMQEYII-SEIMROAOSA-N 309.777 4.302 50 40 DIGB Cc1c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1C 409361355 RZLGIZSCAQLWBP-PTNGSMBKSA-N 317.348 4.459 50 40 DIGB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N/N=C\c1ccccc1Cl)C2 6763589 VSYQPZXMQOGAJS-ZDYIICAQSA-N 316.832 4.173 50 40 DIGB COc1cc(/C=C(/C#N)C(=N)S)ccc1OCc1ccccc1 4181492 KUOQCQZGZHRPSY-DHDCSXOGSA-N 324.405 4.088 50 40 DIGB Cc1ccc2cc(C(=O)NNc3ccc(C)c(Cl)c3)[nH]c2c1 36394441 BZRUICYYYSHQRI-UHFFFAOYSA-N 313.788 4.195 50 40 DIGB C/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccco1 5369651 WFJWFVLXKDJTJI-LGVQKSJGSA-N 324.424 4.221 50 40 DIGB O=C(NNc1nc2ccccc2s1)Nc1cccc(Cl)c1 3226588 GIGWZUSBHLHXNC-UHFFFAOYSA-N 318.789 4.098 50 40 DIGB Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)s1 33408161 WWXHAEHZOLOJFU-FLIBITNWSA-N 302.786 4.256 50 40 DIGB N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(F)c1 409389423 AZKABNLRCLURJL-SDQBBNPISA-N 302.692 4.451 50 40 DIGB BrCC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 124528 SKQVGBXLHPBGHY-IXBNRNDTSA-N 308.057 4.115 50 40 DIGB O=C(CCCC[C@@H]1CCSS1)NC[C@H]1C[C@H]2C=C[C@H]1C2 101373712 BJUZESCPJTXVCS-BYNSBNAKSA-N 311.516 4.029 50 40 DIGB C[C@@H](CN1CCCCC1)SS[C@H](C)CN1CCCCC1 1666673 BWDJDIXFZROUAO-IYBDPMFKSA-N 316.580 4.117 50 40 DIGB CC(C)(C)C(=O)/C(C#N)=C/Nc1ccc(OC(F)(F)F)cc1 5520021 SKSAQTDLSXTTFI-MDZDMXLPSA-N 312.291 4.020 50 40 DIGB CC[C@@H]1C[C@](C)(CC)N2C(=O)C(=C(C#N)C#N)c3cc(C)cc1c32 9190040 JOOCMWMJAIOYEE-XCLFUZPHSA-N 319.408 4.208 50 40 DIGB C[C@@H]1CCCCN1c1c(Cl)cc(C(=O)Cl)cc1[N+](=O)[O-] 70462575 CSDAXHQOICWPPG-MRVPVSSYSA-N 317.172 4.006 50 40 DIGB CC(=O)Nc1ccc2c(c1)[C@@H](Br)c1ccccc1-2 1681529 PSPOVYPDHQMDAC-HNNXBMFYSA-N 302.171 4.110 50 40 DIGB O=C(CCl)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 216857467 WXCVGBKIAIJRRI-UHFFFAOYSA-N 321.163 4.326 50 40 DIGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccccc1Cl 408757815 COMQALZPPPIQBF-UVTDQMKNSA-N 324.767 4.088 50 40 DIGB N#CC(C#N)=Cc1cc(Cl)ccc1OCc1ccc(C#N)cc1 409149803 RGEQXAJCWHUVKH-UHFFFAOYSA-N 319.751 4.221 50 40 DIGB BrCc1ccc2nc(-c3cccnc3)sc2c1 73635208 AVONJNJXGYRBNG-UHFFFAOYSA-N 305.200 4.253 50 40 DIGB C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1ccc(Cl)cc1 20194699 WFMIBROEUVAWMB-XSFVSMFZSA-N 314.816 4.040 50 40 DIGB O=C(N/N=C\c1cccc(Cl)c1Cl)Nc1ccccc1 33303409 LUSVDTGEASQYGO-MFOYZWKCSA-N 308.168 4.149 50 40 DIGB C#CCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC 2848265 MAJXMNHFICMPTP-LFIBNONCSA-N 323.779 4.425 50 40 DIGB CSc1nc(-c2ccc(C)cc2)nc(C(Cl)Cl)n1 3122203 VRYFPFHGCPTRHR-UHFFFAOYSA-N 300.214 4.045 50 40 DIGB C/C(=N\NC(=O)COc1ccccc1C)c1ccc(C(C)C)cc1 4199216 XXQUCLVFNYRBFT-LTGZKZEYSA-N 324.424 4.038 50 40 DIGB COc1ccc(-c2nc(NC(=O)CCCCl)sc2C)cc1 6508400 CXHQGHKUEOPRAL-UHFFFAOYSA-N 324.833 4.085 50 40 DIGB Cc1ccc(/C(=C/C=C(C#N)C#N)Sc2ccccn2)cc1 6275934 DKYWCQUURFCQDN-YVLHZVERSA-N 303.390 4.497 50 40 DIGB O=C(CCl)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 216859344 NVXGISBRNNCHCG-UHFFFAOYSA-N 321.163 4.326 50 40 DIGB Cc1ccc(-c2ccc(C=C(C#N)C#N)o2)c(Br)c1 6189496 SKACMYQGHOCLFU-UHFFFAOYSA-N 313.154 4.448 50 40 DIGB COC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 212093691 ILIISOMPRMRAEH-POHAHGRESA-N 322.147 4.333 50 40 DIGB O=C(Cl)c1ccccc1Nc1ccc(Cl)cc1[N+](=O)[O-] 504206445 RJFYDBBXMLHDTA-UHFFFAOYSA-N 311.124 4.371 50 40 DIGB N#CC(C#N)=Cc1cc([N+](=O)[O-])ccc1Sc1ccccc1 2576747 UTBJAVGTUWKFMI-UHFFFAOYSA-N 307.334 4.177 50 40 DIGB CC(C)N(c1ccccc1)c1ccc(NC(=O)CCl)cc1 3289306 JTAXNZDNUBCRFI-UHFFFAOYSA-N 302.805 4.410 50 40 DIGB N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)c1ccsc1 48333078 YAVUZVNPCWSUBL-GHXNOFRVSA-N 305.305 4.139 50 40 DIGB Cc1cc(NC(=O)CCl)cc2nc(-c3ccc(F)cc3)oc12 216854643 QIRZAHNKIBKGFK-UHFFFAOYSA-N 318.735 4.120 50 40 DIGB CCOc1cccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1 408599505 IBIWEWQMKYBJPK-KGENOOAVSA-N 324.424 4.147 50 40 DIGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc([C@@H]2C[C@H]2C)o1 536315 HYBPRGIWENOKQC-VBEUMERESA-N 306.365 4.257 50 40 DIGB S=C=NC[C@H]1C[C@]2(Cl)C[C@@]1(Cl)C(Cl)=C2Cl 1768972 BEUGPYCXRWCVEJ-YRZRMSQOSA-N 303.041 4.157 50 40 DIGB C/C=C/[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104198227 GKLLMCNHBABVQB-LPRJTOQXSA-N 304.373 4.246 50 40 DIGB ClCCN(CCCl)CCc1cc2ccccc2s1 1574254 ABBAJCZVJKPLQY-UHFFFAOYSA-N 302.270 4.223 50 40 DIGB O=C(NN(c1ccccc1)c1ccccc1)c1ccc(F)cc1 6646313 CTKNYXMJZGWPJG-UHFFFAOYSA-N 306.340 4.309 50 40 DIGB COc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1Cl 33738970 JIBBBMIWGLWJHD-ZSOIEALJSA-N 313.740 4.111 50 40 DIGB Clc1cc(Br)cc(CCCBr)c1 199549815 XKFINGUBFPQPMO-UHFFFAOYSA-N 312.432 4.430 50 40 DIGB CCCCCCOc1ccc(C(=O)N/N=C/c2ccccc2)cc1 3090735 LOWBXGHIFZHPER-LTGZKZEYSA-N 324.424 4.410 50 40 DIGB C/C(=N/NC(=O)c1cccc(C)c1)c1cccc2ccccc12 408949255 FFHMXLXTXCPBGV-QNGOZBTKSA-N 302.377 4.302 50 40 DIGB Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1C(C)C 408541991 ISPVBYXCKCASHA-ZDLGFXPLSA-N 308.381 4.448 50 40 DIGB O=C(NN=C1CCCCCCC1)c1ccc(Br)cc1 5158990 KFIYDZZDKHLCAU-UHFFFAOYSA-N 323.234 4.279 50 40 DIGB CCCC(=O)NC1=C(C#N)C2(CCCCC2)Cc2ccccc21 493832 YBXHRGXOWRUNTD-UHFFFAOYSA-N 308.425 4.344 50 40 DIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ncccc23)cc1 3206212 BJDQODIMPCSWGQ-FOWTUZBSSA-N 313.360 4.089 50 40 DIGB O=C(O)[C@H]1CCc2cc(S(F)(F)(F)(F)F)ccc2N1 110749797 CUYRKWMVWWNVJG-SECBINFHSA-N 303.252 4.155 50 40 DIGB C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1 255046076 NDGVPNMRGXVYEF-ATVHPVEESA-N 318.376 4.106 50 40 DIGB CC(C)c1ccccc1OCC(=O)N/N=C/C=C/c1ccccc1 1808249 OINIDYBDDYSBCR-DYTMQZIQSA-N 322.408 4.004 50 40 DIGB C[C@@H](c1ccccc1)C(CBr)CBr 2046051 DPXMRLRBICVLDK-VIFPVBQESA-N 306.041 4.196 50 40 DIGB Cc1cc(/C=C(\C#N)C(=O)O)c(C)n1-c1cccc2ccccc12 2643792 WOQDKUQIEVTMTC-GZTJUZNOSA-N 316.360 4.239 50 40 DIGB C[C@H]1C/C(=N\NC(=O)c2cc3ccccc3cc2O)CC(C)(C)C1 6587529 XVRPVEIJQWLUAU-JEEMYIIMSA-N 324.424 4.477 50 40 DIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3)o2)cc1 4280940 VRXYFMIQDFEHPF-DEDYPNTBSA-N 304.349 4.019 50 40 DIGB N#C/C(=C\c1cccc(F)c1)C(=O)c1c[nH]c2cc(F)ccc12 40139917 IEWBAICRCGRWER-WUXMJOGZSA-N 308.287 4.236 50 40 DIGB N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)NC1CCCC1 409194771 RAZAFPHHQWTRHQ-KAMYIIQDSA-N 324.355 4.051 50 40 DIGB C/C(=N\NC(=O)Cc1ccc(C)cc1)c1ccc(C(C)(C)C)cc1 409363311 LCOBYAUJRLZMPL-CJLVFECKSA-N 322.452 4.375 50 40 DIGB O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1 369648 MSAGDLPMJMQZTL-FYJGNVAPSA-N 314.344 4.350 50 40 DIGB N#C/C(=C\c1ccccc1)C1=NC(=O)/C(=C/c2ccccc2)S1 5680784 OLCJTYMWIXXVCX-LZTIWXADSA-N 316.385 4.307 50 40 DIGB CC[C@H](Nc1ccc(Cl)cc1)C(=O)NN=C1CCCC[C@@H]1C 5909193 QHPKZVZVZFRKMA-WFASDCNBSA-N 321.852 4.213 50 40 DIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)o1 1097189 ASVDGDQXYRCRKE-XYOKQWHBSA-N 300.745 4.096 50 40 DIGB CO[C@H](c1ccccc1)[C@H](Br)C(=O)c1ccccc1 1744883 LZCOBRLMPXIBBA-GDBMZVCRSA-N 319.198 4.021 50 40 DIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)cc1 33594056 BKNAJTGTXPXPHW-ATVHPVEESA-N 320.392 4.364 50 40 DIGB C/C=C/C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104111884 KBHCSHFIGXCTGA-NSCUHMNNSA-N 318.400 4.289 50 40 DIGB Cc1cc([N+](=O)[O-])ccc1N/C=C(\C#N)c1nc2ccccc2o1 6044132 JGGYEWZUIUXOBZ-ZRDIBKRKSA-N 320.308 4.021 50 40 DIGB Cc1ccc(C)c(CC(=O)N/N=C/c2cccc3ccccc23)c1 409359660 BOFUCNBNLBLNQK-HYARGMPZSA-N 316.404 4.149 50 40 DIGB COC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 252502406 UPXOCPWCQDPOMF-TWGQIWQCSA-N 322.147 4.333 50 40 DIGB CCOc1ccc(/C=C/C(=C(C#N)C#N)C2CC2)c(OCC)c1 5336202 WVFPALNKUXIIQX-CSKARUKUSA-N 308.381 4.251 50 40 DIGB CCc1ccc(NC(=O)c2ccc(CBr)cc2)cc1 41719601 SASRNSQFLVXBJG-UHFFFAOYSA-N 318.214 4.396 50 40 DIGB CCOC(=O)/C(C#N)=C/c1ccc2c(c1)c1ccccc1n2CC 289285 WBOVBXRAAPCSIZ-RVDMUPIBSA-N 318.376 4.284 50 40 DIGB N#CC1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1cccs1 584799 PGBMMYWDVOLUOO-KRWDZBQOSA-N 304.374 4.119 50 40 DIGB O=C(Cl)Cc1ccccc1-c1nc2ccc(F)cc2s1 45923264 FOIXBQHXRSXQOF-UHFFFAOYSA-N 305.761 4.410 50 40 DIGB CCOc1ccc(/C=C(/C#N)c2cccc(C#N)c2)cc1OCC 408566963 JJPUQEBRJXIXKN-ZDLGFXPLSA-N 318.376 4.420 50 40 DIGB N#C/C(=C/c1cccc(Oc2ncccn2)c1)c1ccc(O)cc1 1384385 FDSLQTFSHAGKLB-WJDWOHSUSA-N 315.332 4.039 50 40 DIGB CCCCCCSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1 2296261 IUMRBMNVLDIGOM-HNNXBMFYSA-N 314.454 4.339 50 40 DIGB CCc1ccc(Oc2ccc(C(=O)/C(C#N)=C/N(C)C)cc2)cc1 4105338 ORYFTHBLMAMNJS-SAPNQHFASA-N 320.392 4.193 50 40 DIGB CC1=C/C(=N\NC(=O)c2ccc(COc3ccccc3)cc2)CC1 5504483 NUOGHDRUCGYLNP-UZYVYHOESA-N 320.392 4.092 50 40 DIGB CC(C)c1ccc(/C=C(/C#N)c2nc3ccccc3c(=O)[nH]2)cc1 12660663 IZUFBCFFOVFTPE-WJDWOHSUSA-N 315.376 4.111 50 40 DIGB biogenic Cc1cccc(NC(=O)/C(C#N)=C\c2c[nH]c3ccccc23)c1 40570592 MMJSDDIQHOAGRV-UVTDQMKNSA-N 301.349 4.022 50 40 DIGB C1C2CC3CC1CC(C2)C31OOC12C1CC3CC(C1)CC2C3 1765089 OLJVAWRLTPGYQL-UHFFFAOYSA-N 300.442 4.338 50 40 DIGB biogenic O=C(CCCCCl)NC1(Cc2ccc(O)cc2)CCCCC1 4653537 KWMXODINKKTRMI-UHFFFAOYSA-N 323.864 4.163 50 40 DIGB CCCCCCC[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 8387363 UUJGSGWMSHMGSI-CYBMUJFWSA-N 316.445 4.330 50 40 DIGB CCCCOc1ccc(/C=N\NC(=O)Nc2ccccc2)cc1 30753651 DZSDNCDVDIKGMF-RGEXLXHISA-N 311.385 4.021 50 40 DIGB N#C/C=C(/Sc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 6088125 HEZRMBOHOCXJPQ-OQLLNIDSSA-N 322.349 4.128 50 40 DIGB C/C(=N/NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1ccco1 43267 WFJWFVLXKDJTJI-JEXUTAGNSA-N 324.424 4.221 50 40 DIGB Cc1cc(OC(=O)Nc2cccc(Cl)c2)ccc1[N+](=O)[O-] 1640149 KSPKATXMCBZAFP-UHFFFAOYSA-N 306.705 4.168 50 40 DIGB CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 3616311 PMGVTKQSXVPWIJ-SFQUDFHCSA-N 320.392 4.248 50 40 DIGB CN1/C(=C\C=C(/C#N)c2ccccn2)C(C)(C)c2ccccc21 6209265 YGXQWGIRCICNNH-DDQZDWCKSA-N 301.393 4.300 50 40 DIGB N#C/C(=C\C(Cl)=C/c1ccccc1)C(=O)NC1CCCCC1 96794687 FRCRKKVVTYUVMY-KSELWQEASA-N 314.816 4.165 50 40 DIGB O=C(NN(Cc1ccccc1)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 106745087 ZIVRLXLXWZLVAW-BJLQDIEVSA-N 320.436 4.161 50 40 DIGB O=[N+]([O-])c1ccc2c(c1)[C@H](Br)c1cc(F)ccc1-2 2043114 BMDIBGFDJCEJLU-CYBMUJFWSA-N 308.106 4.199 50 40 DIGB COc1ccc2[nH]c(/C(C#N)=C/c3ccc(Cl)s3)nc2c1 9263654 ZVRGKVYPINJAGQ-RMKNXTFCSA-N 315.785 4.351 50 40 DIGB CN(C)c1ccc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc1 408598848 KKIYCNJLYHRKLE-RVDMUPIBSA-N 320.421 4.286 50 40 DIGB Cc1ccc(O)c(CP(=O)(c2ccccc2)c2ccccc2)c1 3149711 ZDLVYQFWAGFUCQ-UHFFFAOYSA-N 322.344 4.215 50 40 DIGB Cc1ccc(/C=C/C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1 409057745 WFTSFWURSPECMJ-XFSMVHDFSA-N 306.409 4.282 50 40 DIGB Cc1cccc(N/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1 57414089 OQCQWTNUJCBRIT-QBFSEMIESA-N 311.772 4.107 50 40 DIGB C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1cc(C)ccc1C 216047752 PMFPKZYOJHSZAO-HEHNFIMWSA-N 308.425 4.003 50 40 DIGB O=C(CCCCBr)c1ccccc1OC(F)F 575360942 PAFAFVPXOWEGEW-UHFFFAOYSA-N 307.134 4.036 50 40 DIGB N#C/C(=C\c1cccc2ccccc12)c1nnc2n1CCCCC2 5739859 FENCTFVFUJEUKQ-GHRIWEEISA-N 314.392 4.222 50 40 DIGB CC(C)[C@H]1C(C#N)=C(SCC#N)N=C2CC(C)(C)CC(O)=C21 104153615 RFHLQRZKPCQDGD-AWEZNQCLSA-N 315.442 4.337 50 40 DIGB CC(C)(C)C(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 5836694 TYRDFVPMKLPDDQ-JLHYYAGUSA-N 324.336 4.377 50 40 DIGB COC(=O)/C(C#N)=C/c1cccc(Oc2ccc(Cl)cc2)c1 7154418 LWHBFKMYQQXOGN-UKTHLTGXSA-N 313.740 4.212 50 40 DIGB Cn1c(/C(C#N)=C/c2ccccc2Cl)nnc1-c1ccccc1 96291577 UHCXRFYMFJLLPH-RVDMUPIBSA-N 320.783 4.200 50 40 DIGB C/C(=N\NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(C)(C)C 408768637 IDZGUYRDKLDLHG-SIPGVVJPSA-N 312.866 4.359 50 40 DIGB Cc1ccc(-c2noc(/C(C#N)=C/c3ccc(C)s3)n2)cc1 7212315 DKMRUHFQVLMHPD-NTEUORMPSA-N 307.378 4.479 50 40 DIGB CCCCCCCCNC(=O)/C(C#N)=C\c1cccc(F)c1 102989926 LSKIFWOMFPGHRK-VBKFSLOCSA-N 302.393 4.209 50 40 DIGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C\c1cccc2ccccc12 408718831 NCUMMKJAIMSCII-QKYZXDKBSA-N 306.409 4.116 50 40 DIGB CC(C)NC(=O)/C(C#N)=C/c1c2ccccc2cc2ccccc12 572823 VNUUNPYHYZMBNA-SFQUDFHCSA-N 314.388 4.425 50 40 DIGB COc1ccc(/C=C(/C#N)c2nc3ccccc3s2)c(OC)c1 33936245 XRVACZZVLKPZOI-LCYFTJDESA-N 322.389 4.378 50 40 DIGB CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1 40948860 WJFDJGQXCSMPTL-GHRIWEEISA-N 320.392 4.330 50 40 DIGB CC(C)(C)OC(=O)Nc1c(F)cccc1CBr 169801512 MVCWTWPYJOLIDF-UHFFFAOYSA-N 304.159 4.068 50 40 DIGB N#C/C(=C\c1ccc(N2CCCCC2)o1)c1nc2ccccc2[nH]1 4134678 AAFQLUSMGWDCNR-WYMLVPIESA-N 318.380 4.210 50 40 DIGB Cc1cccc2c1Oc1ccccc1[C@H]2NC(=O)OCCCl 5699064 HKOPPZCNFZSETH-OAHLLOKOSA-N 317.772 4.155 50 40 DIGB CC(C)c1ccc(-c2nnc(SCCCCl)n2C)cc1 228919798 SVOBMVGMQOKCAW-UHFFFAOYSA-N 309.866 4.327 50 40 DIGB CCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)c1C 409072606 CWJBARGCGFCRMP-WQRHYEAKSA-N 321.424 4.287 50 40 DIGB C[C@@H](Sc1ccccc1)C(=O)NN=C1CCCCCCC1 47924 JQCNEBGMKRFZSC-CQSZACIVSA-N 304.459 4.384 50 40 DIGB C/C(=N/NC(=O)Cc1cccc2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 107547619 FSOLBJWJEBJTHW-JVWOLFQPSA-N 320.436 4.311 50 40 DIGB CC(=O)c1cc2c(cc1C)[C@H](C)CC(C)(C)N2C(=O)CCl 584906293 UKHRIUHJQJCLFD-LLVKDONJSA-N 307.821 4.055 50 40 DIGB CCc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccsc2)cc1 4652530 DKUCHEDRNZACBW-OMJMQIJPSA-N 310.422 4.095 50 40 DIGB COc1ccc(/C(C#N)=C/c2ccnc3ccccc23)c(OC)c1 13220559 VLRPOILQPGEXQR-RVDMUPIBSA-N 316.360 4.316 50 40 DIGB CC(C)(C)C1=CC(=C/C(C#N)=C(/N)S)C=C(C(C)(C)C)C1=O 100435325 LCUMYVYIHXYBIA-FOWTUZBSSA-N 316.470 4.064 50 40 DIGB in-vitro COc1cc(/C=C/C(=O)Cl)ccc1OCc1cccc(F)c1 218724700 KNQZHHVBJUMQBE-SOFGYWHQSA-N 320.747 4.192 50 40 DIGB Fc1c(F)c(CBr)c(F)c(C(F)(F)F)c1F 1772820730 JYSNVJDCLGDQDP-UHFFFAOYSA-N 310.994 4.157 50 40 DIGB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Cl)c1Cl 8535914 FQLLBATVQHBPOG-UHFFFAOYSA-N 301.984 4.408 50 40 DIGB CC(C)(C)OC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 184391 GZDQZAYZERGHJH-VCHYOVAHSA-N 320.776 4.459 50 40 DIGB C[C@@H](Cl)C(=O)c1ccc(Br)cc1C(F)(F)F 309153281 LJPVONCAVBDXFM-RXMQYKEDSA-N 315.516 4.278 50 40 DIGB Cc1cc(C(=O)CCl)c(C)n1-c1ccc(OC(F)F)cc1 3261563 ICGCMBPKQRXGBJ-UHFFFAOYSA-N 313.731 4.117 50 40 DIGB N#C/C(=C/c1ccc(N2CCCCC2)o1)c1ccc(C(=O)O)cc1 408544578 UZLZZRUTOMERLP-VBKFSLOCSA-N 322.364 4.032 50 40 DIGB ClCCN(CCCl)Cc1cc(Cl)cc(Cl)c1 1667885 RNEYERCGDVCPAN-UHFFFAOYSA-N 301.044 4.273 50 40 DIGB O=C(CCC1CCCCC1)NNc1c(F)c(F)cc(F)c1F 2640930 GXQPLQPUDPKCSV-UHFFFAOYSA-N 318.314 4.047 50 40 DIGB Cc1ccc(C(=O)N/N=C/[C@@H](C)c2ccccc2)c(Cl)c1 4827514 ARTRJPBHLVLBJR-OTGIAGGSSA-N 300.789 4.168 50 40 DIGB C/C(=N\NC(=O)c1cc(C)oc1C)c1cccc2ccccc12 5203743 RQYWTLYKEULACA-DEDYPNTBSA-N 306.365 4.204 50 40 DIGB O=C(N/N=C1\CC2C[C@H]3CC1C[C@@H](C2)C3)[C@@H]1C[C@H]1c1ccccc1 257346740 XZHMXVPECLRWSD-PZJZOJBQSA-N 322.452 4.109 50 40 DIGB Fc1cc(CBr)cc(Br)c1Cl 575675594 IYOCRWNCURSDHI-UHFFFAOYSA-N 302.368 4.137 50 40 DIGB C/C(OCCc1ccc([N+](=O)[O-])cc1)=C(/C#N)c1ccccc1 5369185 UYIXDSZCKXBFEK-NBVRZTHBSA-N 308.337 4.109 50 40 DIGB Cc1cccc(O[C@H](C)C(=O)N/N=C\c2ccc(C(C)C)cc2)c1 31841465 XEVMSTDIAJDVCJ-RDPIHGLISA-N 324.424 4.036 50 40 DIGB O=C(N/N=C/C(Cl)=C\c1ccccc1)c1c[nH]c2ccccc12 96696201 UXQUGZPQPJVZEO-PWWZPONFSA-N 323.783 4.163 50 40 DIGB CC(C)NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)o1 207881119 AMIYWNSLLXVPDE-LCYFTJDESA-N 314.772 4.032 50 40 DIGB O=C(N/N=C/c1ccccc1)c1ccccc1Nc1ccccc1 7498847 TYKSNZBLIMDWMK-RCCKNPSSSA-N 315.376 4.194 50 40 DIGB CCCCCCCCNC(=O)/C(C#N)=C/c1sccc1C 97980655 RCEWULFFRAGLSA-NTCAYCPXSA-N 304.459 4.440 50 40 DIGB C/C(=N/NC(=O)Cc1cccc2ccccc12)[C@H]1C[C@H]2CC[C@@H]1C2 36499655 FSOLBJWJEBJTHW-ALVJTVDBSA-N 320.436 4.311 50 40 DIGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(F)cc1 408886664 IAQXXSVYOFBMTA-UKTHLTGXSA-N 314.747 4.333 50 40 DIGB N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)c1ccccc1 15013531 UWXPSVVPBSKYIN-LGMDPLHJSA-N 314.344 4.240 50 40 DIGB CC1(C)C2CCC1(C(=O)OC(=O)C13CCC(CC1)C3(C)C)CC2 59662711 ZXQJDIBJEYLXPX-UHFFFAOYSA-N 318.457 4.489 50 40 DIGB O=C(NN=C1CCCCC1)C(c1ccccc1)c1ccccc1 585501 BVWXJLCSPGLGRP-UHFFFAOYSA-N 306.409 4.255 50 40 DIGB C[C@@H](Br)C[C@](F)(Cl)C(F)(F)Br 2530829 WUVIXTLECMSVJJ-QWWZWVQMSA-N 318.358 4.052 50 40 DIGB in-vitro N#C/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 6225544 LRZORYHDXRNTHW-OWOJBTEDSA-N 314.728 4.364 50 40 DIGB O=C(N/N=C\c1ccccc1Cl)Nc1cccc(Cl)c1 32109258 DXMGFJIVSQJBSF-MFOYZWKCSA-N 308.168 4.149 50 40 DIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1 15219251 RNHYRINVBDGGPH-VKAVYKQESA-N 319.408 4.078 50 40 DIGB COc1ccc(-c2csc(/C(C#N)=C\c3ccco3)n2)cc1 4712335 DZYBOCKWMRGFHZ-LCYFTJDESA-N 308.362 4.476 50 40 DIGB C[C@H](/C=N/NC(=O)Cc1cccc2ccccc12)c1ccccc1 5531226 RXBRAJUEMNUSQA-QFNCUCFLSA-N 316.404 4.288 50 40 DIGB CCCCC/C(=N\NC(=O)c1ccc(OC)cc1)c1ccccc1 12403713 UEULODJADDRXCV-XUTLUUPISA-N 324.424 4.410 50 40 DIGB COc1cccc(C(=O)/C(C#N)=C/c2c(C)[nH]c3ccccc23)c1 15497333 HOAOLLCBUDNTDS-RVDMUPIBSA-N 316.360 4.275 50 40 DIGB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC[C@@H]2C(=O)NN 118929547 AZWXSMHPQPDSSW-VUJKKSPKSA-N 318.505 4.025 50 40 DIGB COc1ccc2nc(/C(C#N)=C\c3cccc(Cl)c3)[nH]c2c1 409393753 ZXARVVJZNJZTHW-GHXNOFRVSA-N 309.756 4.289 50 40 DIGB O=C(CCSc1ccc(F)cc1)NN=C1CCCCCC1 5937759 RZGQINARZSOOJD-UHFFFAOYSA-N 308.422 4.134 50 40 DIGB C/C(CCc1ccccc1)=N\NC(=O)c1ccc(Cl)cc1 7931854 GWCSTCMRZFZSJC-CPNJWEJPSA-N 300.789 4.079 50 40 DIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1sccc1C 408993750 FNIJOWGGVLWBHI-SDQBBNPISA-N 318.405 4.065 50 40 DIGB CCc1cc(C(=O)c2ccc(C)cc2)c(NC(=O)CCl)s1 415539 RUOYSSXJCXTPGP-UHFFFAOYSA-N 321.829 4.027 50 40 DIGB O=C(O)[C@@H]1CNc2ccc(S(F)(F)(F)(F)F)cc2C1 110749807 SMGQVHQRJOOJQJ-ZETCQYMHSA-N 303.252 4.013 50 40 DIGB CCc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2sccc2C)cc1 376653 OWCLRXLBEJNDAB-MPMPPSQCSA-N 324.449 4.403 50 40 DIGB C=CCOc1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1OC 6640691 NNFPDILMTGYWKQ-SFQUDFHCSA-N 319.360 4.050 50 40 DIGB Cc1ccc(NCCCl)c2c(=O)c3ccccc3sc12 4824701 UKPNKWSDCLOCQN-UHFFFAOYSA-N 303.814 4.374 50 40 DIGB CC[C@H](C)O[C@H](c1ccc2c(c1)OCO2)[C@@H](C)Br 5218008 OYIKWJICWNLAOW-RBZYPMLTSA-N 315.207 4.055 50 40 DIGB Cc1ccc(C(=O)N/N=C\c2ccc(Cl)c(Cl)c2)cc1 35405121 SOIKPXDUACHVQW-NVMNQCDNSA-N 307.180 4.066 50 40 DIGB C=CCc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(OC)c1O 408580101 AENMSQFAPKXAMK-GZTJUZNOSA-N 321.376 4.202 50 40 DIGB Cc1ccc(C)c(N/C=C(/C#N)c2nc3ccccc3n2C)c1 4341824 NPSNWVRNKNTXHU-QINSGFPZSA-N 302.381 4.167 50 40 DIGB N#C/C(=C\c1cccc2ccccc12)C(=O)NC1CCCCC1 4502024 YFZNVJLWKKBXBR-GHRIWEEISA-N 304.393 4.196 50 40 DIGB CCc1ccc(/C(C)=N/NC(=O)Cc2ccc(C)cc2C)s1 20195544 LWKVMVQLTXEQNS-XMHGGMMESA-N 314.454 4.010 50 40 DIGB CCCc1ccc(C(=O)/C(C#N)=C/c2c[nH]nc2C(C)(C)C)cc1 60529212 PQSHKQRCGIZWLI-LFIBNONCSA-N 321.424 4.450 50 40 DIGB C=CCc1cccc(CCC[Si](OCC)(OCC)OCC)c1 199939156 AWGHSOCGGKXGTG-UHFFFAOYSA-N 322.521 4.396 50 40 DIGB Cc1ccccc1NC(=O)/C(C#N)=C/c1c(C)[nH]c2ccccc12 565907 DVYLLVASMHIDKK-RVDMUPIBSA-N 315.376 4.330 50 40 DIGB CCOc1ccc(Oc2ccc(NC(=O)CCl)cc2)cc1 3426863 GHBPTAMJWPTNFZ-UHFFFAOYSA-N 305.761 4.055 50 40 DIGB O=C(CCl)N1c2ccccc2SC[C@@H]1c1ccccc1 4206608 OROHWSNJKUHQRF-CQSZACIVSA-N 303.814 4.105 50 40 DIGB N#C/C(=C/c1ccsc1)C(=O)Nc1cccc2ccccc12 96663247 HKTYCQCDMVTYOQ-GDNBJRDFSA-N 304.374 4.447 50 40 DIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\C=C\c1ccccc1 100195121 KDLKISXECUYXLQ-RKQKHZQPSA-N 324.387 4.251 50 40 DIGB CC(C)(C)OC(=O)Nc1cc(F)cc(CBr)c1 169801516 TUPQOPMUMRWMEY-UHFFFAOYSA-N 304.159 4.068 50 40 DIGB CC(/C=C/c1ccccc1)=N\NC(=O)[C@@H](C)Nc1ccc(C)cc1 15931077 RQTBIRUIUVVLOE-ISXNEDDPSA-N 321.424 4.001 50 40 DIGB N#C/C(=C\c1c(F)cccc1Cl)c1ccc(C(=O)O)cc1 33477523 MVJFESVREDKKCQ-XYOKQWHBSA-N 301.704 4.241 50 40 DIGB CC(C)c1ccc(N/C=C(\C#N)C(=O)Nc2ccccc2)cc1 57413884 OGGGVPSRCRBMNQ-DTQAZKPQSA-N 305.381 4.268 50 40 DIGB O=C(Cl)c1cc(Cl)c(NC2CCCCC2)c([N+](=O)[O-])c1 70462653 UHHGUTIOFXTFHD-UHFFFAOYSA-N 317.172 4.372 50 40 DIGB CC(C)c1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1 221770 ODBFMYPSIIDVQV-YBFXNURJSA-N 300.789 4.227 50 40 DIGB C[C@H](C1=CC=CC1)N(C)P(c1ccccc1)c1ccccc1 521335585 ULDDTQNCMRBAGQ-QGZVFWFLSA-N 307.377 4.241 50 40 DIGB Cc1ccccc1N/C=C(/C=O)c1nc2cc(Cl)ccc2o1 5740612 VRYUWDJJMBHEFL-XFXZXTDPSA-N 312.756 4.442 50 40 DIGB O=C(Cl)Cc1ccc(-c2nc3ccccc3o2)cc1Cl 41127247 PPEUYBSPCODRFR-UHFFFAOYSA-N 306.148 4.456 50 40 DIGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)o1)C(N)=S 408542592 JVSLZKRPSRTATO-CLFYSBASSA-N 320.826 4.277 50 40 DIGB COc1ccc2c(c1)N(C(=O)CCCCl)C(C)(C)C=C2C 223239659 VWBQSRUDHMTCBU-UHFFFAOYSA-N 307.821 4.243 50 40 DIGB O=C(N/N=C/c1ccccc1)c1ccc(-c2ccccc2)cc1 45920 RJRYHBFXVMEQNS-RCCKNPSSSA-N 300.361 4.118 50 40 DIGB N#C/C(=C\c1ccc(N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 619921 SGGVMNNMYFNSSA-GHRIWEEISA-N 319.364 4.259 50 40 DIGB CC1(C)[C@@H](CBr)CC[C@@]1(C)C(=O)Nc1ccccc1 3845955 LOPKFFUAMXKYCR-WBMJQRKESA-N 324.262 4.463 50 40 DIGB biogenic O=NN(CCCl)C(=O)N(C1CCCCC1)C1CCCCC1 5049341 HIJDBDFRIAJVEN-UHFFFAOYSA-N 315.845 4.296 50 40 DIGB N#C/C(=C/c1cccnc1)C(=O)c1c[nH]c2cc(Cl)ccc12 65603919 YYLCCABLCAMYHI-SDQBBNPISA-N 307.740 4.006 50 40 DIGB COc1ccc(/C(C#N)=C\c2ccnc3ccccc23)c(OC)c1 5374020 VLRPOILQPGEXQR-PTNGSMBKSA-N 316.360 4.316 50 40 DIGB CC(C)(C)C(=O)N[C@H](SCc1ccccc1)C(Cl)Cl 98047973 QCSLPCDWRBPSGP-GFCCVEGCSA-N 320.285 4.212 50 40 DIGB C/C(=N/NC(=O)Cc1cccc2ccccc12)[C@@H]1C[C@@H]2CC[C@@H]1C2 100064558 FSOLBJWJEBJTHW-GDNFPQSYSA-N 320.436 4.311 50 40 DIGB CC1(C)C[C@@](O)([C@H](Cl)c2ccccc2)C(=O)c2ccccc21 1744822 PZDCIRMYLDFAAT-VQIMIIECSA-N 314.812 4.262 50 40 DIGB C=CCSC1=C(C#N)[C@@H](c2cccc3ccccc23)CC(=O)N1 2372177 DEPYYNUTCSHRDD-MRXNPFEDSA-N 320.417 4.098 50 40 DIGB N#C/C(=C\Sc1ccc(Cl)cc1)NC(=O)c1ccccc1 3138851 IZTKEAWFPZMXCU-SDNWHVSQSA-N 314.797 4.227 50 40 DIGB O=C1OC(=O)C2=C1CCc1c2cc2ccc3cccc4ccc1c2c34 104249074 AEKFWPPFCWVXPR-UHFFFAOYSA-N 324.335 4.367 50 40 DIGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OC(C)C)cc2)c1 206861553 RISDUIKMBSVQIF-ATVHPVEESA-N 320.392 4.328 50 40 DIGB Cc1ccc(-c2nc3cc(NC(=O)CCl)cc(C)c3o2)cc1 216854852 BJYIAMJEZJXWJV-UHFFFAOYSA-N 314.772 4.289 50 40 DIGB Cc1cc(C)c(/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1C 12748053 AFSZRDGCQPYNOF-MHWRWJLKSA-N 315.376 4.325 50 40 DIGB CC(C)(C)OC(=O)Nc1cccc(CBr)c1F 169801524 DIWBJGXTYLHCNA-UHFFFAOYSA-N 304.159 4.068 50 40 DIGB Cc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)s1 512476 ADOHLCMKSYUDIQ-WOJGMQOQSA-N 300.427 4.118 50 40 DIGB COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1O 4039490 JCELEMZBUWHYOM-XYOKQWHBSA-N 308.362 4.075 50 40 DIGB C/C(=N\NC(=O)c1csc(C(C)C)c1)[C@H]1C[C@@H]2CC[C@@H]1C2 102327601 JHUFHYHOCVNYCM-QXAZVFNCSA-N 304.459 4.413 50 40 DIGB C/C(Nc1cccc(C)c1)=C(/C#N)C(=O)CNc1cccc(C)c1 4871734 WBQWSGYSJBVGQP-KNTRCKAVSA-N 319.408 4.194 50 40 DIGB C/C(CCc1ccccc1)=N\NC(=O)c1cccc(Cl)c1 8043106 CNTLNWSJKSOXBL-CPNJWEJPSA-N 300.789 4.079 50 40 DIGB N#CC(C#N)=C1CCCC[C@@H]1S[C@@H]1CCCCC1=C(C#N)C#N 97949578 KIWSQUYECPKCIL-HDICACEKSA-N 322.437 4.292 50 40 DIGB FC(F)(F)c1ccc(C(Br)Br)o1 142055538 NLQCGYDJWDYSSV-UHFFFAOYSA-N 307.891 4.087 50 40 DIGB Cc1ccccc1-c1nc2cc(NC(=O)CCl)cc(C)c2o1 216854748 XIXHNNQKYWCSSV-UHFFFAOYSA-N 314.772 4.289 50 40 DIGB CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)N[C@H](C)CC 408812428 SNDHDBVXXKEDSC-RGHBXIHOSA-N 322.408 4.060 50 40 DIGB Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@@H]1C 4964899 AWKLFMMLKXGPQU-QSOCSOLZSA-N 321.424 4.078 50 40 DIGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc2c1OCO2 15013672 FCPLZHQWIGZVEB-AWNIVKPZSA-N 313.740 4.141 50 40 DIGB CCC(C)(C)OOC(C)(C)C#C[C@]1(O)C[C@H]2C[C@H]1[C@H](C)C2(C)C 100755847 QSEHPXZLHGUBIT-QOIOWGMHSA-N 322.489 4.338 50 40 DIGB biogenic N#C/C(=C/c1ccco1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 33363818 HGJKITWRBUFWPR-WQLSENKSSA-N 323.333 4.375 50 40 DIGB CCOC(=O)N/N=C\c1cc(C(C)(C)C)cc(C(C)(C)C)c1O 104106328 XUDLCPLPRKGUBZ-ODLFYWEKSA-N 320.433 4.067 50 40 DIGB CCn1c(/C(C#N)=C/c2ccc(OC)cc2)nc2ccccc21 3899809 KFVVHRGTWRQGDE-NTCAYCPXSA-N 303.365 4.129 50 40 DIGB CC[C@H](C)c1ccccc1NC(=S)NC(=O)CCCCl 6243347 RIDGNVYLKSXQDU-NSHDSACASA-N 312.866 4.032 50 40 DIGB COc1c(Br)cc(C(C)(C)C)cc1C(=O)Cl 57339168 GAUDFMJOFKLVDD-UHFFFAOYSA-N 305.599 4.134 50 40 DIGB CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2)c1C 6510330 YZXKBVMGOJOIGS-SFQUDFHCSA-N 307.397 4.061 50 40 DIGB COc1ccc(-n2c(C)cc(C(=O)CCl)c2C)cc1Cl 20284442 ZPUUSKNSANTZFQ-UHFFFAOYSA-N 312.196 4.178 50 40 DIGB CSc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1 3244434 YYQVQZHCKQIBBF-RVDMUPIBSA-N 308.406 4.263 50 40 DIGB aggregator N#C/C(=C/c1c[nH]nc1-c1ccccc1)c1nc2ccccc2[nH]1 5387620 GUZOTNBCMQGQQN-UVTDQMKNSA-N 311.348 4.017 50 40 DIGB CC(C)Oc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1 51032267 BOAZPJYEFJYAEJ-PTNGSMBKSA-N 303.365 4.414 50 40 DIGB CCOc1cc2c(cc1/C=C(/C#N)c1ccccc1F)OCO2 108055606 RBWWCSVAJOWCIE-QPEQYQDCSA-N 311.312 4.017 50 40 DIGB O=c1oc(-c2cccc(CCl)c2)nc2cc(Cl)ccc12 164266 FXJZAEOUBNYPFD-UHFFFAOYSA-N 306.148 4.247 50 40 DIGB CCCCSC1=C(C#N)[C@H](c2ccccc2Cl)CC(=O)N1 2066472 BZDKJFNHBQHIBF-LBPRGKRZSA-N 320.845 4.212 50 40 DIGB N#C/C(=C/c1ccccc1Cl)c1nc(O)c2ccccc2n1 3899746 WGXTWNFYDMMINH-XFXZXTDPSA-N 307.740 4.053 50 40 DIGB N#CC(C#N)=Cc1ccc(NC(=O)c2ccccc2Cl)cc1 3212603 FUEFCMLWMMGFJM-UHFFFAOYSA-N 307.740 4.023 50 40 DIGB CC(C)/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccccc1 14645039 BGXPGDMJQBCWFY-DYTRJAOYSA-N 314.816 4.059 50 40 DIGB ICC1c2ccccc2Oc2ccccc21 33369620 MEVPAWYPDVSDLL-UHFFFAOYSA-N 322.145 4.359 50 40 DIGB CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 216035651 QGJUCIAARYWSDM-WJDWOHSUSA-N 308.356 4.495 50 40 DIGB N#C/C(=C\c1ccc2c(c1)OCO2)c1nc2ccccc2s1 4200617 PUVADSIVYFBGRV-KPKJPENVSA-N 306.346 4.089 50 40 DIGB COc1ccc(/C=C(/C#N)c2nc3ccccc3s2)cc1OC 33709793 NXZFFFBXXILHEW-LCYFTJDESA-N 322.389 4.378 50 40 DIGB C#CCn1cc(/C=C(/C#N)c2cccc(F)c2)c2ccccc21 409393893 SXFACXQCOVNMHZ-WJDWOHSUSA-N 300.336 4.478 50 40 DIGB Cc1cc(C)c(COc2ccc(F)cc2)cc1C=C(C#N)C#N 135417 KSOCMRUEKWJEET-UHFFFAOYSA-N 306.340 4.452 50 40 DIGB CC1(C)C[C@](O)([C@@H](Cl)c2ccccc2)C(=O)c2ccccc21 1744829 PZDCIRMYLDFAAT-LPHOPBHVSA-N 314.812 4.262 50 40 DIGB CC(C)C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccccc1 15938812 PDRPLOXQDFOJFO-ZBJSNUHESA-N 319.408 4.348 50 40 DIGB N#CSc1ccc(NC(=O)c2ccncc2)c(Cl)c1Cl 95471110 VWVDQDRPJUINHJ-UHFFFAOYSA-N 324.192 4.214 50 40 DIGB Cc1ccc(S(=O)(=O)/C=C(/SC#N)C2CCCCC2)cc1 1757481 PIAJTCNVHHNTJR-LFIBNONCSA-N 321.467 4.405 50 40 DIGB N#C/C(=C/c1ccc(N2CCCCC2)o1)c1nc2ccccc2[nH]1 4993380 AAFQLUSMGWDCNR-OWBHPGMISA-N 318.380 4.210 50 40 DIGB C[C@H](Sc1ccc(Cl)cc1)C(=O)NN=C1CCCCC1 59473196 YBHBZLDYFAKXKJ-NSHDSACASA-N 310.850 4.257 50 40 DIGB C[C@H]1CC[P+](c2ccccc2)(c2ccccc2)c2ccccc21 104186475 IOHVUQKLAGAQKP-SFHVURJKSA-N 317.392 4.488 50 40 DIGB Cc1ccc(C(=O)Oc2c(C)cc(C(=O)Cl)cc2C)cc1 218715870 XNQIVDYRYPJVDG-UHFFFAOYSA-N 302.757 4.210 50 40 DIGB CO[C@H](c1ccccc1)[C@@H](Br)C(=O)c1ccccc1 1744886 LZCOBRLMPXIBBA-GOEBONIOSA-N 319.198 4.021 50 40 DIGB CC(C)C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1 4646907 XGSYGELJAQCVHF-TXFDCJEUSA-N 320.436 4.357 50 40 DIGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccn1 5128573 KIMGPTGTLCWYOO-SDNWHVSQSA-N 317.304 4.314 50 40 DIGB Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1F 17054881 NYRZCNPHJLBQMI-JLHYYAGUSA-N 319.339 4.161 50 40 DIGB CCOc1ccc(/C(C=O)=C(/Cl)c2ccc(OC)cc2)cc1 17189438 BCYMNMSQJIBWRH-ISLYRVAYSA-N 316.784 4.400 50 40 DIGB CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1 32186374 LUWGEDMYPIUISM-NTCAYCPXSA-N 320.392 4.235 50 40 DIGB CCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c1C 77358266 AFIOUBYOECHDON-WQRHYEAKSA-N 321.424 4.287 50 40 DIGB Cc1ccc(C(=O)N[C@H](c2ccccc2)C(Cl)Cl)cc1 3077355 GBEXSXGFCAZXRG-CQSZACIVSA-N 308.208 4.270 50 40 DIGB FC(F)(F)COc1ccc(CBr)cc1Cl 43490452 PHWNSJPHEIVOSH-UHFFFAOYSA-N 303.505 4.176 50 40 DIGB CCCCCOc1ccccc1/C=N/NC(=O)c1ccccc1 3088588 WOMUBCNOPVACPH-HMMYKYKNSA-N 310.397 4.020 50 40 DIGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1 5597579 WBWBHYOMRKMORO-GHRIWEEISA-N 320.392 4.330 50 40 DIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(F)cc1 5678058 QMGFRLYNAMFNRO-UKTHLTGXSA-N 314.747 4.333 50 40 DIGB CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=N/NC(=O)c1ccncc1 6053572 CPGXRADLCQBPSJ-FOOMGHKNSA-N 311.429 4.126 50 40 DIGB Cc1csc(/C(C#N)=C/Nc2ccccc2N2CCCCC2)n1 7698713 SCLZUFYEMQHWER-NTCAYCPXSA-N 324.453 4.418 50 40 DIGB Cc1cc(C(=O)Cl)cc(C)c1OC(=O)c1ccccc1F 256051930 LCZFOSADJOXKFP-UHFFFAOYSA-N 306.720 4.041 50 40 DIGB N#CC(C#N)=C1CCCC[C@H]1S[C@@H]1CCCCC1=C(C#N)C#N 2207931 KIWSQUYECPKCIL-QZTJIDSGSA-N 322.437 4.292 50 40 DIGB N#Cc1c(NC(=O)C(Cl)Cl)sc2c1CCCCCC2 5897485 DKRBOISDOLHLSG-UHFFFAOYSA-N 317.241 4.021 50 40 DIGB CC(C)(C)OC(=O)N/N=C\c1ccc(-c2ccc(Cl)cc2)o1 4513603 OVZNTWLOICRYLT-ZDLGFXPLSA-N 320.776 4.459 50 40 DIGB C/C(=N\NC(=O)C1[C@H]2CCCC[C@H]12)c1ccc2ccccc2c1 100505439 CELGZIBYWXIOML-PMOZRXSBSA-N 306.409 4.116 50 40 DIGB O=C(N/N=C\c1ccc(Cl)s1)Nc1ccc(Cl)cc1 408966472 MVTXAHCKYINIJY-CHHVJCJISA-N 314.197 4.211 50 40 DIGB O=C1[C@H](Br)CCC1(c1ccccc1)c1ccccc1 2027524 IWZWXOGYGGMGMS-OAHLLOKOSA-N 315.210 4.099 50 40 DIGB CC/C(Cc1ccccc1)=N\NC(=O)c1cccc(Cl)c1 4524286 RWOTVKTUZYOATG-KNTRCKAVSA-N 300.789 4.079 50 40 DIGB C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OC)c1OC 409070414 ZFTQXAIOOAQTHP-LDADJPATSA-N 305.377 4.496 50 40 DIGB O=C(CCCC[C@H]1CCSS1)N1CCc2ccccc2C1 61468222 HCSFTUIYXLVWFK-INIZCTEOSA-N 321.511 4.285 50 40 DIGB biogenic CC(=O)c1cc2c(cc1C)[C@@H](C)CC(C)(C)N2C(=O)CCl 584906299 UKHRIUHJQJCLFD-NSHDSACASA-N 307.821 4.055 50 40 DIGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)c(O)c(C)c1 34690599 QRLQWTCIVPITOS-BOPFTXTBSA-N 320.392 4.117 50 40 DIGB Cc1cccc(NC(=O)/C(C#N)=C\c2c(F)cccc2Cl)c1 211485687 FVXYDADGLWMALV-XFXZXTDPSA-N 314.747 4.333 50 40 DIGB COc1cccc2c(C)c3c(nc12)S[C@H](C(Cl)Cl)C3 497275 WIJRVPZHXSUHLY-NSHDSACASA-N 314.237 4.372 50 40 DIGB COc1cc(F)c(F)cc1C(=O)CCCCCBr 575358020 BYXDBEPGTPGKCJ-UHFFFAOYSA-N 321.161 4.111 50 40 DIGB COc1cc(C=C(C#N)C#N)ccc1OCc1ccc(Cl)cc1 2752194 KTENEOBFQIZZEI-UHFFFAOYSA-N 324.767 4.358 50 40 DIGB N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)NC1CCCCC1 3614210 OPVZEIUFJNJNRG-FMIVXFBMSA-N 323.223 4.349 50 40 DIGB CC1(C)[C@@H]2CC[C@]1(CBr)c1nc3ccccc3nc12 100926143 SJPGQDHPHUPUKG-HWPZZCPQSA-N 317.230 4.180 50 40 DIGB COc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1Cl 33765050 AZXZAVUXSIOOOX-QPEQYQDCSA-N 314.728 4.321 50 40 DIGB N#C/C(=C/c1ccsc1)c1nc(O)c2ccc(Cl)cc2n1 97040500 XXFJJSQDWZTRTQ-YHYXMXQVSA-N 313.769 4.114 50 40 DIGB N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)N1CCCC1 3293397 DAKQOICLJYHDIT-GHRIWEEISA-N 318.376 4.008 50 40 DIGB Cc1ccccc1-c1noc(/C(C#N)=C/c2sccc2C)n1 9156015 WZMZAXUOUZYBDK-UKTHLTGXSA-N 307.378 4.479 50 40 DIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1C 11293317 YKJWXLLALBXFOB-GZTJUZNOSA-N 320.392 4.166 50 40 DIGB C=CCOc1ccc(/C=C(/C#N)c2nc3ccccc3n2C)cc1 16733660 AIBHBPIRCZKLTJ-SSZFMOIBSA-N 315.376 4.202 50 40 DIGB CCCCCCCCNC(=O)/C(C#N)=C/c1c(F)cccc1F 3253657 NEEUZQMKGGWUGG-WYMLVPIESA-N 320.383 4.348 50 40 DIGB CC(C)c1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1 143484 ZHRHJQCAMXFYAK-XSFVSMFZSA-N 318.420 4.076 50 40 DIGB CC(=C\c1ccccc1)/C=C(\C#N)C(=O)Nc1ccc(C)cc1 2783121 JLPLXFXFKFBXBU-CMQZKQKJSA-N 302.377 4.487 50 40 DIGB C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 4587795 KATNNXZDWUXEDO-ARAYBEJISA-N 308.425 4.195 50 40 DIGB CCCCOC(=O)c1cccc(-c2ccc(C(=O)Cl)o2)c1 8729571 DOPNIHOIIQXZPL-UHFFFAOYSA-N 306.745 4.283 50 40 DIGB N#C/C(=C\c1cc(F)ccc1F)C(=O)c1c[nH]c2ccccc12 40139662 SOYUXLGNNDBRHA-KPKJPENVSA-N 308.287 4.236 50 40 DIGB C[C@@H](/C=N/NC(=O)Cc1cccc2ccccc12)c1ccccc1 5515377 RXBRAJUEMNUSQA-PZBNQXIHSA-N 316.404 4.288 50 40 DIGB C=CCSC1=C(C#N)[C@H](c2ccc(C(C)C)cc2)CC(=O)N1 8995020 CBJHBEYCBQVFEG-HNNXBMFYSA-N 312.438 4.068 50 40 DIGB Cc1cccc(O[C@@H](C)C(=O)NN=Cc2ccc(C(C)C)cc2)c1 12462844 XEVMSTDIAJDVCJ-INIZCTEOSA-N 324.424 4.036 50 40 DIGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2)cc1 206213528 IUVUZCPXNRJCIU-VKAVYKQESA-N 319.408 4.078 50 40 DIGB C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(C)o1 5342823 XQYXZGUMADFTRB-RQZCQDPDSA-N 311.168 4.049 50 40 DIGB Cc1cccc(NC(=O)/C(C#N)=C\c2c(C)[nH]c3ccccc23)c1 35021460 DRCBIFUVAFHDAG-PTNGSMBKSA-N 315.376 4.330 50 40 DIGB O=S(=O)(c1ccccc1)[C@@H](Cl)c1cccc(Cl)c1 6575507 NIGXDQBQTOLBMV-CYBMUJFWSA-N 301.194 4.051 50 40 DIGB Cc1ccc(NNC(=O)c2cc3ccccc3o2)cc1Cl 12978876 AFYORNMYQXWMKX-UHFFFAOYSA-N 300.745 4.152 50 40 DIGB COc1cccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)c1 6901999 YSKZYTZFYCGDOT-XNTDXEJSSA-N 316.360 4.275 50 40 DIGB C/C(=N\NC(=O)c1csc(C(C)C)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102327595 JHUFHYHOCVNYCM-JQPCTGOMSA-N 304.459 4.413 50 40 DIGB COc1ccc2c(c1)N(C(=O)CCCCl)C(C)(C)C[C@@H]2C 223240758 KDTUYLLDBBHORT-LBPRGKRZSA-N 309.837 4.333 50 40 DIGB C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 245377362 KATNNXZDWUXEDO-MEXFETQQSA-N 308.425 4.195 50 40 DIGB CC(C)(C)C1=C(C#N)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1 409371414 IOBCQWXHMDWHDH-LBPRGKRZSA-N 324.211 4.171 50 40 DIGB Cc1ccc(OCCOc2ccccc2C=C(C#N)C#N)cc1C 4599163 ZFMSNITUQCZJNF-UHFFFAOYSA-N 318.376 4.192 50 40 DIGB CCn1c(C)c(/C=N/NC(=O)c2ccccc2C)c2ccccc21 9201182 KIWIBRTXNSZZCE-FYJGNVAPSA-N 319.408 4.042 50 40 DIGB CC(C)(C)C(=O)/C(C#N)=C/c1cnn(-c2ccc(Cl)cc2)c1 40139562 IUMZXKXSCOWVNT-MDWZMJQESA-N 313.788 4.048 50 40 DIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)OC(C)(C)C 507543 SORMZIUERGDTEL-XDHOZWIPSA-N 314.385 4.097 50 40 DIGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccn1 15188110 ZBISZCBIQLNFNB-ACCUITESSA-N 317.304 4.314 50 40 DIGB C=CCOc1ccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1 145089113 MMTXIUGRWGMGLP-SFQUDFHCSA-N 321.376 4.333 50 40 DIGB N#C/C(=C/c1cccc(Br)c1)c1cccc(C#N)c1 408567028 KFEWQNMRRGPUIO-CHHVJCJISA-N 309.166 4.385 50 40 DIGB CCc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2sccc2C)cc1 376651 OWCLRXLBEJNDAB-SWEABUAFSA-N 324.449 4.403 50 40 DIGB Cc1ccc(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)cc1C 5746908 KXPYALFRQFWETF-XNTDXEJSSA-N 315.376 4.330 50 40 DIGB CCCCOC[P@](=O)(c1ccccc1)c1ccc(Cl)cc1 103127320 XRYLCHVWACZDAW-NRFANRHFSA-N 322.772 4.428 50 40 DIGB C[C@@H](CCl)OP(=O)(O[C@@H](C)CCl)[C@@H](C)CCl 4578179 AOTIRVBHFRETEJ-CIUDSAMLSA-N 311.573 4.095 50 40 DIGB CCOc1cccc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)c1O 4678136 MLGBEBPFXLNIOH-GXDHUFHOSA-N 319.364 4.040 50 40 DIGB CC1(C)OC(c2ccccc2)=C/C1=C(/C=O)C(=O)c1ccccc1 16941292 PRZNRGSRQWODSV-ISLYRVAYSA-N 318.372 4.215 50 40 DIGB N#CSc1c(Cl)cc(C(=O)N2CCCCC2)cc1Cl 59842971 NZEAKDLIHQRXKX-UHFFFAOYSA-N 315.225 4.193 50 40 DIGB CCN(CC)CCOc1cccc(/C=C(/C#N)c2ccccc2)c1 1692249 IXHLUYKHEOGYCG-HKWRFOASSA-N 320.436 4.471 50 40 DIGB CCCc1ccc(-c2nnc(SCCCCl)n2C)cc1 228978252 ZHKMRZMQYJFTAV-UHFFFAOYSA-N 309.866 4.156 50 40 DIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)s2)cc1 6947297 VYRUOHMYQQOGEO-JLHYYAGUSA-N 312.394 4.001 50 40 DIGB CSc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1 212600084 XJLDWEOTMOGJKD-RAXLEYEMSA-N 312.369 4.093 50 40 DIGB O=C(N/N=C/c1ccccc1Cl)Nc1cccc(Cl)c1 93979 DXMGFJIVSQJBSF-RQZCQDPDSA-N 308.168 4.149 50 40 DIGB C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(C(C)C)cc1 5413314 MAPLAFROYVGJGX-ICFYUTLISA-N 320.436 4.454 50 40 DIGB CCCCC(CCCC)=NNC(=O)c1ccc([N+](=O)[O-])cc1 59367089 VMVHNZJMHOILMX-UHFFFAOYSA-N 305.378 4.061 50 40 DIGB N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 67189514 VYMVVAKRXRDXJF-VLVOFSMPSA-N 321.292 4.123 50 40 DIGB COc1cccc(C(=O)N/N=C(\C)CC(C)(C)c2ccccc2)c1 408829528 LFTCKJXAPOKHOJ-RCCKNPSSSA-N 324.424 4.169 50 40 DIGB Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccccc2C)c(C)c1 3245106 UDTUCZYNPQBSIL-WOJGMQOQSA-N 304.393 4.466 50 40 DIGB CCOc1ccc(C(=O)N/N=C/c2cccc3ccccc23)cc1 3184325 DGPUZFWASYVXNA-KGENOOAVSA-N 318.376 4.002 50 40 DIGB CCc1ccccc1NC(=O)N/N=C\c1ccc(Cl)s1 408964995 FHYUZSUPNQIFDW-SXGWCWSVSA-N 307.806 4.120 50 40 DIGB O=C(NC1CCCCC1)NN(c1ccccc1)c1ccccc1 6927510 VUUXSLYWXHKNTE-UHFFFAOYSA-N 309.413 4.372 50 40 DIGB N#C/C(=C1/SSN=C1Cl)c1nc2ccccc2s1 13402153 RMMYDBYQBGYXAY-TWGQIWQCSA-N 309.828 4.478 50 40 DIGB Cc1ccc(N/C=C(\C=O)c2nc3ccccc3o2)cc1Cl 100106684 DPEIINLYHAPZRC-FMIVXFBMSA-N 312.756 4.442 50 40 DIGB O=C(N/N=C/c1ccc(Cl)cc1)c1ccc2ccccc2c1 253568081 KUZWWWLJLNKWOC-UDWIEESQSA-N 308.768 4.257 50 40 DIGB N#CC(C#N)=Cc1ccc(SC2CCCCC2)c([N+](=O)[O-])c1 49116 OFYGWTGQONHOQZ-UHFFFAOYSA-N 313.382 4.450 50 40 DIGB N#C/C(=C\c1ccccc1N1CCCC1)c1nc2ccccc2[nH]1 34713855 HQDXOTWCYYBAJE-DTQAZKPQSA-N 314.392 4.227 50 40 DIGB CCOc1ccc(C(=O)[C@@H](Br)c2ccccc2)cc1 4566218 GOOZBGBJARLEIS-HNNXBMFYSA-N 319.198 4.404 50 40 DIGB CC(=O)Oc1ccccc1SCCCCCBr 13782083 BUYKDHPKUXNGFL-UHFFFAOYSA-N 317.248 4.269 50 40 DIGB CC1(C)[C@@H](CBr)CC[C@]1(C)C(=O)Nc1ccccc1 3845957 LOPKFFUAMXKYCR-MLGOLLRUSA-N 324.262 4.463 50 40 DIGB biogenic CC(/C=C/C=C/c1ccccc1)=N/NC(=O)c1ccc(F)cc1 4474871 UARRZURTYWVEQF-DWJXPLMOSA-N 308.356 4.201 50 40 DIGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(Cl)s1)c1ccccc1 6183597 OPCLYXJRDHQHMJ-NASPGAHYSA-N 316.813 4.186 50 40 DIGB Cc1cccc(C(=O)NN=C2CCC(C(C)(C)C)CC2)c1O 17030848 SDLMAGRDGXQMFB-UHFFFAOYSA-N 302.418 4.023 50 40 DIGB Cc1ccccc1C(=O)NN=C1CCC(c2ccccc2)CC1 5711592 FARKJXCEQHBXMG-UHFFFAOYSA-N 306.409 4.439 50 40 DIGB Cc1nc(C)c(C(=O)NN(c2ccccc2)c2ccccc2)s1 32999487 GKWQWGGNDLCDSZ-UHFFFAOYSA-N 323.421 4.243 50 40 DIGB O=C(CCCC[C@H]1CCSS1)NC[C@H]1C[C@H]2C=C[C@H]1C2 101373713 BJUZESCPJTXVCS-XQLPTFJDSA-N 311.516 4.029 50 40 DIGB O=C(N/N=C\c1cc2ccccc2nc1Cl)Nc1ccccc1 408975077 JRJWUZHIMWWGCN-ODLFYWEKSA-N 324.771 4.044 50 40 DIGB O=C(CCCCCBr)c1ccc(OC(F)F)cc1 575360457 DPHYQBNCJYRDLL-UHFFFAOYSA-N 321.161 4.426 50 40 DIGB Cc1ccc(NC2=C(C=O)C(=O)C[C@H](c3ccccc3)C2)cc1 539795 WIVCDSUXYTYVSI-MRXNPFEDSA-N 305.377 4.007 50 40 DIGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(C)[nH]c3ccccc23)c1 6860343 DRCBIFUVAFHDAG-RVDMUPIBSA-N 315.376 4.330 50 40 DIGB CC(C)CO[C@@H](CBr)Cc1ccc(Cl)cc1 165131490 YPSHSKPGSUBEOI-CYBMUJFWSA-N 305.643 4.319 50 40 DIGB O=NN(CCCl)C(=O)Nc1ccc2[nH]c3ccccc3c2c1 5004864 BRGUZQCVZMQQTQ-UHFFFAOYSA-N 316.748 4.075 50 40 DIGB CCN(CC)c1ccc(/N=N/c2ccc3c(c2)C(=O)OC3=O)cc1 101462949 ZYQXYXPPXAYKCD-FMQUCBEESA-N 323.352 4.259 50 40 DIGB COc1cc(/C=C/C(=O)Cl)ccc1OCc1ccc(F)cc1 218724789 WJTSUBFOSRMCOZ-WEVVVXLNSA-N 320.747 4.192 50 40 DIGB CCCSC1=C(C#N)[C@H](c2ccc(C(C)C)cc2)CC(=O)N1 5297346 UGZMXOONDOYBJI-HNNXBMFYSA-N 314.454 4.292 50 40 DIGB CC1(C)Cc2ccccc2C(NC(=O)Nc2ccccc2)=C1C#N 15841427 RJMLFRMNTHKJLL-UHFFFAOYSA-N 317.392 4.325 50 40 DIGB BrC(Br)c1cccc2cccnc12 100070090 DNSPFLYKMLCEJO-UHFFFAOYSA-N 300.981 4.023 50 40 DIGB COc1ccccc1/C=C(/C#N)Sc1nc2ccccc2[nH]1 408599259 RABBVOFKJUYLLV-RAXLEYEMSA-N 307.378 4.228 50 40 DIGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccccc1C 408863475 MVICDXLMAUXKRG-LTGZKZEYSA-N 308.425 4.469 50 40 DIGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1cccc2ccccc12 14003038 BRKKIKOPGHSSAV-FYJGNVAPSA-N 322.795 4.186 50 40 DIGB CCc1ccc2oc(-c3cccc(NC(=O)CCl)c3)nc2c1 216857429 KXLSWDRHVAPRSC-UHFFFAOYSA-N 314.772 4.235 50 40 DIGB CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(C)c(C)c2)cc1 216065003 YFIUOYUHHLXTSG-LTGZKZEYSA-N 324.424 4.246 50 40 DIGB C[C@H](Br)C(=O)n1c2ccccc2c2ccccc21 1717243 QPIGNSIRZJTBMI-JTQLQIEISA-N 302.171 4.218 50 40 DIGB C/C(=N/NC(=O)c1cccs1)c1ccc(Cl)c(Cl)c1 13660748 OSVJKGRLIGDRIP-PXNMLYILSA-N 313.209 4.209 50 40 DIGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OC 67189520 XKJOJJUJLIJMOX-GDNBJRDFSA-N 324.336 4.066 50 40 DIGB CCCCCCCCNC(=O)/C(C#N)=C/c1ccc(F)cc1 97980652 KUZAAOIIYCOKSE-DTQAZKPQSA-N 302.393 4.209 50 40 DIGB O=C(N/N=C\c1ccc(Cl)s1)Nc1cccc(Cl)c1 408964470 COJPXBFAWHHBOG-CHHVJCJISA-N 314.197 4.211 50 40 DIGB C[C@@H](Cl)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2543515 CTMSTGZMZGUIBJ-RXMQYKEDSA-N 319.632 4.290 50 40 DIGB N#C/C(=C/c1cccc2ccccc12)C(=O)NCc1ccccc1 6829514 QIRWKSVHPWDKJD-UYRXBGFRSA-N 312.372 4.063 50 40 DIGB C[C@H](Cl)C(=O)c1ccc(Br)cc1C(F)(F)F 309153282 LJPVONCAVBDXFM-YFKPBYRVSA-N 315.516 4.278 50 40 DIGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C\c1cccc2ccccc12 408718826 NCUMMKJAIMSCII-DJWPMJKOSA-N 306.409 4.116 50 40 DIGB N#C/C(=C\c1cccs1)C(=O)Nc1ccccc1C(F)(F)F 2807676 BYJOXTNKTQQRJB-CSKARUKUSA-N 322.311 4.313 50 40 DIGB CCSC1=C(C#N)[C@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1 20081225 ZPOROAWQFUILBE-KRWDZBQOSA-N 324.449 4.177 50 40 DIGB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC=C(C=O)C[C@]34C)[C@@H]1CC[C@H]2O 118929322 QKKCZNAIRYQRKP-HSXTZPDUSA-N 302.458 4.125 50 40 DIGB O=C(CCc1ccco1)NN(c1ccccc1)c1ccccc1 36725146 KQFYMOAMWHZYGY-UHFFFAOYSA-N 306.365 4.082 50 40 DIGB O=C(CSc1ccccc1)N/N=C/c1cccc2ccccc12 59167554 MZNYLZGVYSDLHC-DEDYPNTBSA-N 320.417 4.082 50 40 DIGB COc1ccc(C(=O)Cl)cc1OCc1ccccc1Cl 218720568 RZNBDEFMXFSOIO-UHFFFAOYSA-N 311.164 4.307 50 40 DIGB C/C(=N\NC(=O)c1ccccc1Cl)c1cc2ccccc2o1 6312474 OKXOAWZIDZQEHK-YBFXNURJSA-N 312.756 4.240 50 40 DIGB CC(/C=C/c1ccccc1)=N\NC(=O)[C@H]1C[C@]1(C)c1ccccc1 13471078 CCYDCULYFMGQFW-UNXNRJRISA-N 318.420 4.170 50 40 DIGB CC1CCN(C(=O)/C(C#N)=C\c2ccc(Cl)c(Cl)c2)CC1 26688407 SRPWEPDKLQRHEO-JYRVWZFOSA-N 323.223 4.159 50 40 DIGB O=[N+]([O-])c1ccc(OCCCCCBr)c(Cl)c1 1750754 OUVBPGPEOSRBQQ-UHFFFAOYSA-N 322.586 4.192 50 40 DIGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc(F)cc1 59401714 KIFDYWBIKFYDOZ-KGENOOAVSA-N 312.388 4.299 50 40 DIGB C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1cccs1 13964179 PMTCKGMYEVAYFC-LZYBPNLTSA-N 313.209 4.209 50 40 DIGB N#C/C(=C/c1cccs1)c1nc(O)c2ccc(Cl)cc2n1 58247251 JOSZXZNZLPEAIO-TWGQIWQCSA-N 313.769 4.114 50 40 DIGB O=C(/C=C/c1ccc(Cl)cc1)N/N=C/c1ccccc1Cl 409061656 ZDKLELLGUARAJJ-JAXWBCMNSA-N 319.191 4.157 50 40 DIGB N#CC1=C(N)Oc2c(sc3ccccc23)[C@H]1c1ccccc1 227523 IIKARQBYPBHBLF-HNNXBMFYSA-N 304.374 4.119 50 40 DIGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)c1nc2ccccc2[nH]1 4321993 INUBCYSSZPPFMI-YRNVUSSQSA-N 324.727 4.189 50 40 DIGB O=C(CSCc1ccc2ccccc2c1)NN=C1CCCC1 408725313 FAOCTWNSRLAADL-UHFFFAOYSA-N 312.438 4.119 50 40 DIGB CC/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(C)cc1 5384929 CWBYIRJMDDMUNT-MDYJUBHLSA-N 306.409 4.029 50 40 DIGB CCCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)Cl)o2)cc1 8729557 OWORGBRYKNPJCL-CSKARUKUSA-N 318.756 4.292 50 40 DIGB N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)c1ccsc1 44028144 YAVUZVNPCWSUBL-KPKJPENVSA-N 305.305 4.139 50 40 DIGB N#CC(C#N)=Cc1ccc(-c2ccc(F)cc2Br)o1 252493891 NFZUVFWUURKBCX-UHFFFAOYSA-N 317.117 4.279 50 40 DIGB N#C/C(=C\c1ccccc1O)C(=O)Nc1cccc2ccccc12 143975 LTAQQWKBEQMRHA-FOWTUZBSSA-N 314.344 4.091 50 40 DIGB COc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1OC 4247411 NXZFFFBXXILHEW-UKTHLTGXSA-N 322.389 4.378 50 40 DIGB N#CC(=C\c1ccco1)/C(O)=N/c1ccc(Cl)cc1[N+](=O)[O-] 4898846 LKCDBQIQLDHSBI-RMKNXTFCSA-N 317.688 4.036 50 40 DIGB C[C@@H](CCl)OP(=O)(O[C@H](C)CCl)[C@@H](C)CCl 2167849 AOTIRVBHFRETEJ-CDKBEWALSA-N 311.573 4.095 50 40 DIGB N#C/C(=C\N1CCc2ccccc21)c1nc2ccccc2s1 12062382 CSRSFUDBMQNSDP-WYMLVPIESA-N 303.390 4.223 50 40 DIGB Cc1ccc(C(=O)N/N=C\c2cccc(Cl)c2Cl)cc1 33299714 IODFEMCCAVKBOI-NVMNQCDNSA-N 307.180 4.066 50 40 DIGB O=C(NN=C(c1ccccc1)c1ccccc1)c1cccc(F)c1 199417667 GOTRUSCYZNNOLF-UHFFFAOYSA-N 318.351 4.008 50 40 DIGB N#CCn1cc(/C=C(/C#N)c2cccc(F)c2)c2ccccc21 409391539 INVJUGJXLJXBRS-GDNBJRDFSA-N 301.324 4.368 50 40 DIGB O=C(Cc1ccccc1)[C@H](CCBr)c1ccccc1 162236 OCGJLFHDCCWOBR-MRXNPFEDSA-N 317.226 4.367 50 40 DIGB COc1ccc(/C=C(\C#N)c2ccc3ccccc3n2)cc1O 43240474 AYNYNHHNTZPMII-XNTDXEJSSA-N 302.333 4.013 50 40 DIGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)ccc1OC 408582189 MJCRQAUBLZZLEP-LFIBNONCSA-N 309.365 4.167 50 40 DIGB FCCOc1c(Cl)cc(CBr)cc1Cl 1776010729 KPXGCOIAUZCVNJ-UHFFFAOYSA-N 301.970 4.237 50 40 DIGB C/C(=N\NC(=O)CNc1ccccc1C)c1ccc(C(C)C)cc1 50094 ZFHHICFBDDBSAE-CJLVFECKSA-N 323.440 4.071 50 40 DIGB CC1(C)C[C@@](O)([C@@H](Cl)c2ccccc2)C(=O)c2ccccc21 1744827 PZDCIRMYLDFAAT-QFBILLFUSA-N 314.812 4.262 50 40 DIGB CCC/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccccc1 12571484 SFEODLYCSDRABT-KNTRCKAVSA-N 300.789 4.274 50 40 DIGB N#C/C(C(=O)c1cccc(Cl)c1)=C1/Nc2ccccc2S1 100812861 HQCOBLJNMJMYGY-FOWTUZBSSA-N 312.781 4.476 50 40 DIGB O=C(CCCC[C@@H]1CCSS1)NC[C@@H]1C[C@H]2C=C[C@H]1C2 101373706 BJUZESCPJTXVCS-ZQDZILKHSA-N 311.516 4.029 50 40 DIGB CCOc1cccc(/C=N\NC(=O)c2cccc3ccccc23)c1 408586041 AXOKQNGKGUPUBG-STZFKDTASA-N 318.376 4.002 50 40 DIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccs2)cc1Cl 408735461 SGYUVNZGSVQQGW-YRNVUSSQSA-N 302.786 4.256 50 40 DIGB ClC1=C(Cl)[C@]2(Cl)C[C@@]1(Cl)C[C@@H]2CBr 104327016 LTQYIQCFHYYWHF-WDZBIPAOSA-N 324.860 4.449 50 40 DIGB O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc2ccccc2c1 253569639 MOVIZZZMEPXFRV-LPYMAVHISA-N 313.360 4.085 50 40 DIGB Cc1cc(C(=O)OC(C)C)ccc1-c1ccc(C=C(C#N)C#N)o1 798649 LUBHCZWFWSXSLX-UHFFFAOYSA-N 320.348 4.251 50 40 DIGB COc1cccc2c(C)c3c(nc12)S[C@@H](C(Cl)Cl)C3 497276 WIJRVPZHXSUHLY-LLVKDONJSA-N 314.237 4.372 50 40 DIGB N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 12629432 HAOSRTVBOZMNRK-KPKJPENVSA-N 300.701 4.018 50 40 DIGB N#C/C(=C\C=C\c1ccccc1)C(=O)Nc1cccc(Cl)c1 408733856 BINIRBJHKRAAHK-XRCNLDATSA-N 308.768 4.442 50 40 DIGB CN(/N=C/c1c(F)cccc1Cl)C(=O)OCc1ccccc1 8091050 SAAKBXXHHYGATI-VXLYETTFSA-N 320.751 4.082 50 40 DIGB N#CC(C#N)=Cc1cn(Cc2ccccc2)nc1-c1cccs1 13137331 GEVICRGGBGZCQL-UHFFFAOYSA-N 316.389 4.090 50 40 DIGB CC(C)c1cc(Cl)cc2sc(NC(=O)CCl)nc12 20131806 JTTQAYDTRFEJOD-UHFFFAOYSA-N 303.214 4.250 50 40 DIGB Cc1ccc(NC(=O)/C(C#N)=C\C=C\c2ccco2)cc1Cl 408990696 YFPFENQCADZOSG-RSRLYEDJSA-N 312.756 4.343 50 40 DIGB O=C(NN=C1C2CC3CC(C2)CC1C3)c1cccc2ccccc12 4155569 WGHAKPRADQBQSK-UHFFFAOYSA-N 318.420 4.382 50 40 DIGB CC(/C=C/c1ccccc1)=N\NC(=O)[C@@H]1C[C@@]1(C)c1ccccc1 13111038 CCYDCULYFMGQFW-JLUQOKJPSA-N 318.420 4.170 50 40 DIGB Clc1nc(CBr)ccc1OCc1ccccc1 43827459 ICQURDJAVXXUMZ-UHFFFAOYSA-N 312.594 4.209 50 40 DIGB CCO[Si](Cc1c(C)c(C)cc(C)c1C)(OCC)OCC 575182212 HBZZLQJQWLPGTA-UHFFFAOYSA-N 310.510 4.050 50 40 DIGB O=C(N/N=C/c1ccc(-c2ccccc2)o1)Nc1ccccc1 58822407 PULMIFITAMMOOQ-CPNJWEJPSA-N 305.337 4.102 50 40 DIGB Cc1csc(/C(C#N)=C/c2cc(C)n(-c3cc(C)on3)c2C)n1 8207555 XLRSSZKYFDEFOP-VIZOYTHASA-N 324.409 4.220 50 40 DIGB C[C@]12CC(C=O)=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 118929320 QKKCZNAIRYQRKP-KWQGSUNZSA-N 302.458 4.125 50 40 DIGB COc1c(Br)ccc(Cl)c1CBr 141067182 AABNPSKEMRBNFY-UHFFFAOYSA-N 314.404 4.006 50 40 DIGB COc1cccc(/C(C)=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1 15938358 LNNNLJMWLXOYTJ-KGENOOAVSA-N 324.424 4.147 50 40 DIGB O=C(Nc1ccc(Br)cc1)c1ccc(CCl)cc1 37342746 HTRDMTUTKVRCKH-UHFFFAOYSA-N 324.605 4.440 50 40 DIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cccc(F)c1 23217547 HUFVTIAKSXKJKX-MDWZMJQESA-N 314.747 4.333 50 40 DIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1 216030730 OUHKRWRMCAAWGT-ATVHPVEESA-N 320.392 4.248 50 40 DIGB N#C/C(=C\c1cccn1-c1cccc(C(=O)O)c1)c1ccccc1 4675079 UWXPSVVPBSKYIN-GHRIWEEISA-N 314.344 4.240 50 40 DIGB C/C(=N\NC(=O)c1cccc2ccccc12)c1ccc(C)s1 5618545 LQQWQLPDDVLTDN-CPNJWEJPSA-N 308.406 4.364 50 40 DIGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cccc2ccccc12 7157967 NUPPNTRVGDDCKI-LWIVYDCASA-N 318.420 4.442 50 40 DIGB CC(C)c1cccc(N/C=C(\C#N)C(=O)Nc2ccccc2)c1 57413880 PZHYPQDNRUPQPL-DTQAZKPQSA-N 305.381 4.268 50 40 DIGB C/C(=N\NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccccc1 409115080 GVKKZKFFOMFXCH-WBFOAEISSA-N 312.438 4.016 50 40 DIGB Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)cc1 17054681 XZTOPRPSDUSALA-NDENLUEZSA-N 318.420 4.342 50 40 DIGB Cc1nn(-c2ccccc2)c2c1C(=O)CC(C)(C)[C@H]2SC#N 2502255 ZLXZEBPKNGZDIC-INIZCTEOSA-N 311.410 4.049 50 40 DIGB N#C[C@H](Cl)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 3046308 BGSSPTHCROWCMS-SECBINFHSA-N 301.617 4.398 50 40 DIGB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](Cl)[C@@H]2O 118932325 HSXDXEKWMMAMHT-FPNLOETNSA-N 322.876 4.097 50 40 DIGB FC(F)(F)Oc1ccc(CBr)cc1C(F)(F)F 169796848 MWRQHFCWQKXFTF-UHFFFAOYSA-N 323.030 4.499 50 40 DIGB C/C(=N\NC(=O)Cc1cc(C)ccc1C)c1ccc(C)c(C)c1 409366545 VYEDLUCUVYFKMI-HEHNFIMWSA-N 308.425 4.003 50 40 DIGB CCn1c(/C(C#N)=C/c2cccc([N+](=O)[O-])c2)nc2ccccc21 3899795 FCXYXJQKYGNZSN-GXDHUFHOSA-N 318.336 4.029 50 40 DIGB N#C/C(=C/Nc1ccc(O)cc1)c1nc2cc(Cl)ccc2o1 5740810 NGTNYQPIAJTHKV-KTKRTIGZSA-N 311.728 4.163 50 40 DIGB CC[C@@H](Nc1ccc(Cl)cc1)C(=O)N/N=C1/CCCC[C@@H]1C 28632564 QHPKZVZVZFRKMA-IALMLCHTSA-N 321.852 4.213 50 40 DIGB CCCC(CCC)=NNC(=O)c1ccc(OC(C)C)c(OC)c1 6687203 KLRVIJUBXBWBQL-UHFFFAOYSA-N 320.433 4.168 50 40 DIGB Cc1cc(/C(C#N)=C/c2ccc(N(C)C)cc2)cc(C)c1[N+](=O)[O-] 1597838 ODAUUAODTHEGTQ-GZTJUZNOSA-N 321.380 4.342 50 40 DIGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(O)c(OC)c2)cc1 408582296 MUAYIHUFPOHKHF-NTUHNPAUSA-N 315.756 4.127 50 40 DIGB N#C/C(=C(/O)C(=O)O)c1ccc(-c2cccc3ccccc23)cc1 100133038 ZYQBEJQFCQZLMX-HNENSFHCSA-N 315.328 4.384 50 40 DIGB in-vitro O=C(CCl)N(CC1CCCC1)c1cccc2c(O)cccc12 199757610 UWRWJQMZPOUGPG-UHFFFAOYSA-N 317.816 4.307 50 40 DIGB N#C/C(=C/c1ccc(Br)cc1)C(=O)c1ccsc1 44028097 HAKVVBJBQBKSGT-GHXNOFRVSA-N 318.195 4.300 50 40 DIGB Cc1cc(Br)cc2cc(C(=O)Cl)c(Cl)nc12 95095280 JVHPHVBBEDVOHQ-UHFFFAOYSA-N 318.985 4.338 50 40 DIGB CCc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)s1 2769602 ZKQLEPUKOBVBAB-JMRXEAOASA-N 310.422 4.095 50 40 DIGB CCOc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)ccc1O 4678111 CIXKKPXTRQYOTR-NTEUORMPSA-N 319.364 4.040 50 40 DIGB CCCCCCCCCCCC(=O)N/N=C/c1cccnc1 8385076 ADSKDVWIXSGMSW-CAPFRKAQSA-N 303.450 4.453 50 40 DIGB C=CCOc1ccccc1/C=C(\C#N)c1nc2ccccc2[nH]1 4169984 XEFMOQVAPQYLHT-NTCAYCPXSA-N 301.349 4.192 50 40 DIGB BrC1=C[C@@H]2C[C@@H](c3ccccc32)[C@@H]1Br 71784960 DPBBMSLGWVLCIN-JWYUURKGSA-N 314.020 4.313 50 40 DIGB BrCc1ccc2nc(-c3ccncc3)sc2c1 73635266 AIFNNNSXFJBHEM-UHFFFAOYSA-N 305.200 4.253 50 40 DIGB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CCl)[C@@H]1CC[C@@H]2O 4896647 FHHUNXIPEAHYQC-KOUJMVCDSA-N 322.876 4.098 50 40 DIGB biogenic,in-vitro COc1cccc(/C=C(\C#N)c2ccc(C(F)(F)F)cn2)c1 24362347 FELIIHXCYSMNKU-KPKJPENVSA-N 304.271 4.173 50 40 DIGB CCOP(=O)(Cc1ccc(CBr)cc1)OCC 34359936 POTHJMIRYNDASN-UHFFFAOYSA-N 321.151 4.348 50 40 DIGB FC(F)(F)c1cc(CNCCCl)cc(C(F)(F)F)c1 1667991 YWSMFGOHQHDRAF-UHFFFAOYSA-N 305.649 4.053 50 40 DIGB N#CC(C#N)=C1C=C2C=C(NCc3ccccc3)CC[C@@H]2CC1 3191626 NUEUXYOPKDDFMJ-INIZCTEOSA-N 301.393 4.134 50 40 DIGB CCc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1 59921067 COPHSRIDYKLHNX-SRZZPIQSSA-N 320.314 4.032 50 40 DIGB O=C(NN=C1CCCCCCCCCCC1)c1ccncc1 55014 GRKRTMXIASILAB-UHFFFAOYSA-N 301.434 4.472 50 40 DIGB N#CC(C#N)=C/C=C(\Sc1ncccn1)c1ccc(Cl)cc1 12366781 UZFPLIVVIOSBAS-CHHVJCJISA-N 324.796 4.237 50 40 DIGB Cc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)o1 17030619 SUVJPQZUAMOIBU-GHXNOFRVSA-N 300.745 4.096 50 40 DIGB CCNC(C)(C)[C@H](SS)c1ccc(Br)cc1 31738370 XZFAEKDEAQZKCN-LLVKDONJSA-N 320.321 4.456 50 40 DIGB in-vitro CCCCCCCCCCCC[S@](=O)C[C@@H](O)CCl 100243464 JUTNQOYEGCJPJS-HNAYVOBHSA-N 310.931 4.256 50 40 DIGB CN1/C(=C/C=C/C=C/C=C(C#N)C#N)C(C)(C)c2ccccc21 102041952 IKNBYJUOYHXNCJ-LPKSLABBSA-N 301.393 4.384 50 40 DIGB O=C(CCl)c1ccc(OC(F)(F)F)cc1C(F)(F)F 584883094 TXPBSTXMFPEUOE-UHFFFAOYSA-N 306.589 4.026 50 40 DIGB COc1cc(C=C(C#N)C#N)ccc1OCc1ccc(C)cc1 265924 DNIMQXYZFHCWFR-UHFFFAOYSA-N 304.349 4.013 50 40 DIGB C[C@H](NC(=O)/C(C#N)=C/c1ccc([C@H]2C[C@H]2C)o1)c1ccccc1 16967988 WNZKODCEPSIXIA-XPZNJVSBSA-N 320.392 4.187 50 40 DIGB CCCCC/C(=N/NC(=O)c1cccs1)c1ccccc1 4676617 SXYFZWCMFVQSFV-SDXDJHTJSA-N 300.427 4.463 50 40 DIGB O=C(N/N=C1\C[C@@H]2CC[C@H]1C2)c1sc2ccccc2c1Cl 5379513 KRCOZMMTYYJFFV-BNCAXOHISA-N 318.829 4.461 50 40 DIGB C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(C(C)C)cc1 5413300 MAPLAFROYVGJGX-MMKSPSFCSA-N 320.436 4.454 50 40 DIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Cl)s1 59133134 TULTYDYSCOWNME-FLIBITNWSA-N 302.786 4.256 50 40 DIGB CCOc1cc2c(cc1/C=C(/C#N)c1cccc(F)c1)OCO2 409394066 VDEUCPSRQBFKHO-NSIKDUERSA-N 311.312 4.017 50 40 DIGB CC(/C=C/c1ccccc1F)=N\NC(=O)c1ccc(Cl)cc1 4534730 PHVQXDKFZLPOFW-SACOBIQUSA-N 316.763 4.298 50 40 DIGB CCC[C@@](C#N)(O[Si](C)(C)C)c1cc(OC)ccc1OC 255190378 WXBXWFMSMSVLHZ-INIZCTEOSA-N 307.466 4.074 50 40 DIGB CC(C)(C)C1CCC(=NNC(=O)CSc2ccccc2)CC1 408857442 GOVHNNSGCOYBNQ-UHFFFAOYSA-N 318.486 4.487 50 40 DIGB O=C(CCCC[C@@H]1CCSS1)NC1CCC(F)(F)CC1 575617870 SHEDHIGXUJFGMJ-GFCCVEGCSA-N 323.474 4.395 50 40 DIGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(C(C)(C)C)cc2)n1 549465 KNFJAQLUNBXLNV-FOWTUZBSSA-N 319.408 4.233 50 40 DIGB O=C(NNc1c2ccccc2nc2ccccc12)c1ccccc1 4180071 QFQBTIFLINGRFT-UHFFFAOYSA-N 313.360 4.145 50 40 DIGB ClC[C@@H](CBr)OCc1cccc2ccccc12 110748138 RRPHWTQQOKSZKL-CYBMUJFWSA-N 313.622 4.359 50 40 DIGB O=C(CCl)N(CC1CCCC1)c1cccc2ccc(O)cc12 199757633 YBJHXUHAWPPBHL-UHFFFAOYSA-N 317.816 4.307 50 40 DIGB CC[C@H](C)c1ccc(-c2cc(C(=O)NN)c3ccccc3n2)cc1 2769692 SOODXQBAIBXKNZ-ZDUSSCGKSA-N 319.408 4.019 50 40 DIGB C=CCCCCCCCCC(=O)N/N=C\c1ccccc1OC 17024602 XAFIYUDSBMHFRX-SILNSSARSA-N 316.445 4.452 50 40 DIGB CCCOc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2F)c1 59117132 VQFAUZRROSQQQA-PTNGSMBKSA-N 324.355 4.160 50 40 DIGB Fc1cc(Br)c(Cl)cc1CBr 97436565 CMPHDESTHVJRLA-UHFFFAOYSA-N 302.368 4.137 50 40 DIGB COC(=O)/C(C#N)=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 212093621 SCIYFFBKAUAMIJ-TWGQIWQCSA-N 322.147 4.333 50 40 DIGB N#C/C(=C/c1ccco1)c1nc(-c2ccc3c(c2)OCO3)cs1 4834781 KQCOVYKSGKCRQP-SDQBBNPISA-N 322.345 4.196 50 40 DIGB COc1ccc(C(CBr)c2ccc(OC)cc2)cc1 5359526 SAOOIGOKKNPMNG-UHFFFAOYSA-N 321.214 4.231 50 40 DIGB O=C(NN(Cc1ccccc1)c1ccccc1)[C@@H]1CC=CCC1 32255883 YALVETKYBAFZRS-GOSISDBHSA-N 306.409 4.081 50 40 DIGB Cc1csc(/C(C#N)=C\c2ccc(OC(F)(F)F)cc2)n1 82071361 XVECTGWPDFOTKA-WDZFZDKYSA-N 310.300 4.414 50 40 DIGB O=C1OC(=O)c2ccc(Oc3ccc(F)cc3)c3cccc1c23 98005234 KJTPXXFJGCOHDA-UHFFFAOYSA-N 308.264 4.082 50 40 DIGB Cc1ccc(-c2c3c(cc4cc(C)ccc24)C(=O)OC3=O)cc1 104088792 KIKROZVQWOGPHY-UHFFFAOYSA-N 302.329 4.434 50 40 DIGB CCC/C(=N/NC(=O)c1ccccc1Cl)c1ccccc1 4402064 SEMYBFRPSDKIKA-MNDPQUGUSA-N 300.789 4.274 50 40 DIGB CC(C)(C)OC(=O)Nc1ccc(F)cc1CBr 169801522 CRCSDHCUZNUQSW-UHFFFAOYSA-N 304.159 4.068 50 40 DIGB CN(C(=O)CCCl)c1nc(-c2ccc(Cl)cc2)cs1 4214898 FGXWYUKWXGDXII-UHFFFAOYSA-N 315.225 4.055 50 40 DIGB CC(C)(C)C1CCC(=NNC(=O)c2c[nH]c3ccccc23)CC1 4922918 UUNVLZAWALRSFG-UHFFFAOYSA-N 311.429 4.490 50 40 DIGB CSc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 5130799 JUWXHHRBDALIPT-ZDGMZETASA-N 314.454 4.010 50 40 DIGB C=CCOc1ccc(/C=C(/C#N)C(=O)c2sccc2C)cc1 48333024 NAPPJFGKXUBCIW-PTNGSMBKSA-N 309.390 4.411 50 40 DIGB CCCCOc1ccc2ccccc2c1/C=C(/C#N)C(N)=S 408541837 FDANOMOGWCMGFL-KAMYIIQDSA-N 310.422 4.212 50 40 DIGB CCOP(=O)(OCC)/C(C#N)=C\c1ccnc2ccccc12 31853194 YFMPUXFPBBGIPR-KAMYIIQDSA-N 316.297 4.365 50 40 DIGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)O 2277901 MRUOECHWJXJXPR-WEVVVXLNSA-N 308.120 4.245 50 40 DIGB COc1cccc2cc(/C=C(\C#N)c3nc4ccccc4[nH]3)oc12 12506491 SGGNMOAZHFLMFN-JLHYYAGUSA-N 315.332 4.382 50 40 DIGB CC(C)c1ccc([C@H]2NC(=S)NC(C(C)(C)C)=C2C#N)cc1 409369111 CTBBGBWIUGQDKR-OAHLLOKOSA-N 313.470 4.153 50 40 DIGB O=C(NC1CCCCCCC1)[C@@H](Br)c1ccccc1 162898 XJDQIYDCHPFEGQ-HNNXBMFYSA-N 324.262 4.352 50 40 DIGB N#C/C(=C\c1c(F)cccc1F)C(=O)Nc1ccccc1Cl 13135311 CUBDPLFKIATMQJ-CSKARUKUSA-N 318.710 4.164 50 40 DIGB CC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\C=C\c2ccccc2)c1C 96669575 YPILHSSZTPRQIT-RMTJHLMQSA-N 318.376 4.180 50 40 DIGB CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)cc1 97990735 MBGPHNUQHYUHHC-RGEXLXHISA-N 318.420 4.495 50 40 DIGB C[C@H](Cl)C(=O)c1ccc(COc2cc(F)ccc2F)cc1 575358156 LXLZOBFMXXXSGZ-JTQLQIEISA-N 310.727 4.354 50 40 DIGB C[C@H](Sc1ccccc1)C(=O)NN=C1CCCCCCC1 47923 JQCNEBGMKRFZSC-AWEZNQCLSA-N 304.459 4.384 50 40 DIGB CC(=O)Nc1ccc2c(c1)[C@H](Br)c1ccccc1-2 2044740 PSPOVYPDHQMDAC-OAHLLOKOSA-N 302.171 4.110 50 40 DIGB CCCCOc1ccc(NC(=O)N/N=C/c2cccs2)cc1 1891539 URGVMXNJLUOUJS-SFQUDFHCSA-N 317.414 4.083 50 40 DIGB C=CCc1cccc(/C=N/NC(=O)CCCCCCCC)c1O 3117220 RSJAFXDUOMCGGA-HMMYKYKNSA-N 316.445 4.321 50 40 DIGB Cc1cc2nc(-c3cccc(NC(=O)CCl)c3)oc2cc1C 216857322 JWTAQTSHCZOJPX-UHFFFAOYSA-N 314.772 4.289 50 40 DIGB C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(C(C)C)cc1 5413310 MAPLAFROYVGJGX-JZXVBVKESA-N 320.436 4.454 50 40 DIGB C=CCOc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1 16733657 NXXZUALMEICENG-QINSGFPZSA-N 301.349 4.192 50 40 DIGB N#C/C(=C\c1ccc(O)cc1)c1nc2ccccc2n1C(F)F 23612148 TWOPVBAYHUKILR-FMIVXFBMSA-N 311.291 4.201 50 40 DIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(F)c2)cc1Cl 408984258 IKQYEELYDMSSIJ-QPEQYQDCSA-N 314.747 4.333 50 40 DIGB O=C(N/N=C/c1c[nH]c2ccccc12)c1csc2ccccc12 372750 UYMVNENKCSFICT-KEBDBYFISA-N 319.389 4.147 50 40 DIGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1O 6229696 MJTGUROMDXVFET-WDZFZDKYSA-N 303.720 4.257 50 40 DIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\C=C\c1ccco1 65844647 IVRCJCZBQLLOPB-GKEHKRFESA-N 312.756 4.343 50 40 DIGB S=C=NC[C@H]1C[C@]2(Cl)C[C@]1(Cl)C(Cl)=C2Cl 104327038 BEUGPYCXRWCVEJ-HFHMMWAZSA-N 303.041 4.157 50 40 DIGB CCC/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 12418948 ZOEBVHDOACHEGW-CAPFRKAQSA-N 318.779 4.413 50 40 DIGB COC(=O)c1ccc(-c2ccccc2CBr)cc1 37593962 KAOWWFUGRAZJFT-UHFFFAOYSA-N 305.171 4.035 50 40 DIGB C/C(=N\NC(=O)Cc1ccc(C)c(C)c1)c1ccc(C)cc1C 408590226 OGGYBLAAYWPSBU-HEHNFIMWSA-N 308.425 4.003 50 40 DIGB O=C(N/N=C/c1cccc(Cl)c1)c1cccc2ccccc12 5704986 LNUBVZOJNZEGGU-UDWIEESQSA-N 308.768 4.257 50 40 DIGB CCOc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OC 6351481 NTNFGIIAOVBTDW-DHDCSXOGSA-N 324.336 4.066 50 40 DIGB O=C(NNc1ccc(Cl)cc1Cl)Nc1ccccc1F 12799850 LZRXQJLLTSENRL-UHFFFAOYSA-N 314.147 4.281 50 40 DIGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1 2669908 JSVKPURYBKWFAQ-GHRIWEEISA-N 320.392 4.330 50 40 DIGB CCc1ccc(/C(C)=N/NC(=O)c2cccc(Cl)c2)cc1 5667319 UJHKHCYNFDTKGN-XDHOZWIPSA-N 300.789 4.056 50 40 DIGB CC(Nc1c(-c2ccccc2)nc2cc(C)ccn12)=C(C#N)C#N 6657474 WDZQAAGYRCJNJN-UHFFFAOYSA-N 313.364 4.043 50 40 DIGB C/C(=N\NC(=O)Cc1ccc(C)c(C)c1)c1ccc(Cl)cc1 14134598 QVARHVYXFTXCGE-XSFVSMFZSA-N 314.816 4.040 50 40 DIGB Cc1[nH]c2ccccc2c1/C=C(/C#N)c1cccc([N+](=O)[O-])c1 33717575 DVDWHGRHOXRSIM-UVTDQMKNSA-N 303.321 4.449 50 40 DIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)o1 35193 ZCIMSJLRPCBCBF-DHZHZOJOSA-N 320.270 4.153 50 40 DIGB CCCOc1ccc(C(=O)N/N=C(/c2ccccc2)C(C)C)cc1 216065389 PQOYEEBRJIQATB-XUTLUUPISA-N 324.424 4.266 50 40 DIGB CC1CCN(c2ccc(Cl)cc2NC(=O)[C@@H](C)Cl)CC1 34776723 HICVNPBVJCFDMI-LLVKDONJSA-N 315.244 4.142 50 40 DIGB C/C(=N\NC(=O)[C@@H]1[C@H]2CCCC[C@@]21C)c1ccc(Cl)cc1 409046131 IXVUKAMHZKRWBV-FCDSQYCYSA-N 304.821 4.007 50 40 DIGB C[C@H](Br)C(=O)Nc1ccc(Oc2ccccc2)cc1 41736491 CUQLNIVCWMYWST-NSHDSACASA-N 320.186 4.201 50 40 DIGB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](Cl)C2=O 118925761 KZGAWCNISQUJCJ-NBBHSKLNSA-N 320.860 4.305 50 40 DIGB CC[C@@H](C)O[C@@H](c1ccc2c(c1)OCO2)[C@@H](C)Br 5218005 OYIKWJICWNLAOW-GPCCPHFNSA-N 315.207 4.055 50 40 DIGB CC(C)(C)C1CCC(C(=O)N/N=C/c2cccc(F)c2)CC1 6692897 LWDOLTWQEYOEKV-UDWIEESQSA-N 304.409 4.128 50 40 DIGB CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)[C@H](C)Cl 223827171 WKPSNINMXDKGPS-NEPJUHHUSA-N 309.837 4.331 50 40 DIGB COc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1C 50704677 FEVTZJGKFYLPFR-GDNBJRDFSA-N 303.365 4.253 50 40 DIGB O=C(N/N=C1\CC2C[C@H]3CC1C[C@@H](C2)C3)[C@H]1C[C@H]1c1ccccc1 257346738 XZHMXVPECLRWSD-GSOHQNHJSA-N 322.452 4.109 50 40 DIGB CCOc1ccccc1/C=C(/C#N)c1nc2ccc(OC)cc2[nH]1 409392003 MQDOWXGRXUPNNO-UVTDQMKNSA-N 319.364 4.034 50 40 DIGB CC(C)Oc1ccc2nc(NC(=O)CCCCl)sc2c1 20133609 CUGROUWUWKDVJU-UHFFFAOYSA-N 312.822 4.041 50 40 DIGB CC(C)(C(=O)CBr)c1cc(Cl)cc(Cl)c1 89261839 CQESPEBUYHJOKB-UHFFFAOYSA-N 310.018 4.235 50 40 DIGB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CCl)[C@@H]1CC[C@H]2O 118924838 FHHUNXIPEAHYQC-NQSUBMFWSA-N 322.876 4.098 50 40 DIGB O=C(/C(=C/c1ccccc1)CBr)c1ccccc1 5045974 UODNKPNEWOIIAE-RVDMUPIBSA-N 301.183 4.348 50 40 DIGB Cc1cccc(/C=C/C(=O)c2ccc(O)c(CCCl)c2)c1 12909352 DUDMGZJRRMNEJM-FNORWQNLSA-N 300.785 4.378 50 40 DIGB N#C/C(C(=O)Nc1ccc(-c2ccccc2)cc1)=C(/O)C1CC1 100036435 CAGGGMPTWTUYHZ-ZCXUNETKSA-N 304.349 4.038 50 40 DIGB in-vivo CC(C)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 100992156 ZLRHDUIIPFTIAR-UHFFFAOYSA-N 306.389 4.121 50 40 DIGB O=C(CCCCCl)N[C@H]1CC[C@H](OCc2ccccc2)CC1 309630460 HJFOCXDRFIKMQK-QAQDUYKDSA-N 323.864 4.040 50 40 DIGB C/C(=N\NC(=O)c1ccc(C)cc1)c1ccc(Cl)c(Cl)c1 5540386 GDYROYGJWDGFSB-YBFXNURJSA-N 321.207 4.456 50 40 DIGB CC(C)Cc1ccc([C@H](C)C(=O)N/N=C/c2ccccc2)cc1 59166343 CAQJISCKPJATCN-YIRPMMGJSA-N 308.425 4.139 50 40 DIGB CC(/C=C(/C#N)C(=O)Nc1ccccc1F)=C\c1ccccc1 211420135 WWMNTWKTCFALQH-YUTYINLDSA-N 306.340 4.318 50 40 DIGB CCOc1ccc(/C=C(/C#N)c2cccc(C#N)c2)c(OCC)c1 408566502 GZPHBVCABBBQMJ-WQRHYEAKSA-N 318.376 4.420 50 40 DIGB COc1cccc(C(=O)N/N=C(/C)c2cccc3ccccc23)c1 408568419 UABHVIMYXKJUSI-STZFKDTASA-N 318.376 4.002 50 40 DIGB COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Cl 255506541 LCNUJYYOYWSBBI-JYRVWZFOSA-N 314.728 4.321 50 40 DIGB CCOC(=O)NP(=O)(Nc1ccccc1)Nc1ccccc1 104079390 IFTYOEJYNYIUKO-UHFFFAOYSA-N 319.301 4.065 50 40 DIGB ClCCN(CCCl)CCSc1ccc(Cl)cc1 1684842 FYAMQIYZBYQDHK-UHFFFAOYSA-N 312.693 4.212 50 40 DIGB O=C(Cc1ccc2ccccc2c1)N/N=C/C=C/c1ccccc1 71798829 DLUOLBRQPMRRSS-HSRIELGNSA-N 314.388 4.198 50 40 DIGB CCOc1ccc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)cc1 5386184 QKMVIVJBODVNAA-RVDMUPIBSA-N 303.365 4.334 50 40 DIGB CCc1ccc(/C(C)=N/NC(=O)c2ccc(C)cc2Cl)cc1 13842618 FETYZRQDINWLSJ-DEDYPNTBSA-N 314.816 4.365 50 40 DIGB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)c1ccccc1Cl 102946764 VFTZRHYMBDBGMW-WXRFJIMESA-N 302.805 4.048 50 40 DIGB COc1ccc(/C(Cl)=C(\C=O)c2ccccc2)cc1OC 1619581 JYUILEZKWSVWEJ-VKAVYKQESA-N 302.757 4.010 50 40 DIGB CCOc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1 3899811 KTMYATRAIQXCOD-NTCAYCPXSA-N 303.365 4.036 50 40 DIGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cccs1 7210373 XGHOQXWTVSQEKM-YRNVUSSQSA-N 302.786 4.256 50 40 DIGB O=C(N/N=C\c1ccccc1Cl)c1cccc2ccccc12 17428344 CHQGXLGFAKBHFT-NDENLUEZSA-N 308.768 4.257 50 40 DIGB CC(C)(CCl)C(=O)c1ccccc1OC(F)(F)C(F)F 575360408 HDVIZZVHYSBJPN-UHFFFAOYSA-N 312.690 4.371 50 40 DIGB N#C/C(=C\c1ccco1)C(=O)Nc1c(Cl)cccc1Cl 7164575 NEESDTFCBWYTAS-VQHVLOKHSA-N 307.136 4.132 50 40 DIGB C[C@@H](Cl)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 34800200 YZUFNXGNDNBHKE-SSDOTTSWSA-N 301.198 4.029 50 40 DIGB Cc1cc(O)c(CN(C[C@H](C)Cl)C[C@@H](C)Cl)cc1C 1639723 IIOGAVBCVDMYGF-BETUJISGSA-N 304.261 4.066 50 40 DIGB CC(C)[C@H](Br)C(=O)Nc1cccc(C(F)(F)F)c1 3097873 JVTVKJUQXSWMPT-JTQLQIEISA-N 324.140 4.063 50 40 DIGB CC(C)(C)c1ccc(-c2csc(NC(=O)CCl)n2)cc1 3267928 KDLGEXHRCONWFR-UHFFFAOYSA-N 308.834 4.285 50 40 DIGB BrCC1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1 1577608 SBSDJCTZLCKGIV-HZPDHXFCSA-N 319.198 4.237 50 40 DIGB C[C@@](CCl)(Sc1ccccc1)C(=O)Nc1ccccc1 2339897 JPAFXFMWOFWIHM-INIZCTEOSA-N 305.830 4.415 50 40 DIGB Cc1cccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c1 6316740 FCVLBUVYNCHYQO-GIJQJNRQSA-N 307.180 4.066 50 40 DIGB O=C(CCCCBr)c1ccc(C(F)(F)F)cc1 575358951 JLYNZVIGIKIOPN-UHFFFAOYSA-N 309.125 4.453 50 40 DIGB O=C(N/N=C/c1ccc(Cl)s1)c1ccc2ccccc2c1 564403 UHLMRMZLVMEFPV-VCHYOVAHSA-N 314.797 4.319 50 40 DIGB N#C/C(=C\c1ccc(N2CCCC2)cc1)c1nc2ccccc2[nH]1 4705536 VKOAHJFULCHEPA-DTQAZKPQSA-N 314.392 4.227 50 40 DIGB CS/C(Nc1ccccc1Cl)=C(/C#N)C(=O)C(C)(C)C 5520009 GYSJLNJMLFYWNU-UVTDQMKNSA-N 308.834 4.465 50 40 DIGB Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C(\C#N)c1ccccn1 16695168 QNVGVHYVQNMIKH-RVDMUPIBSA-N 318.355 4.087 50 40 DIGB C[C@@](Cl)(CCl)C(=O)Nc1ccc(Cl)c(Cl)c1 3066466 YTTDXMSETANSQO-SNVBAGLBSA-N 301.000 4.168 50 40 DIGB CC(/C=C/c1ccco1)=N\NC(=O)C12CC3CC(CC(C3)C1)C2 5480047 OVFGWXAFXDNZTM-FGTQGPTRSA-N 312.413 4.001 50 40 DIGB Cc1ccc2c(NC(=O)NCCCCCCCl)cccc2n1 21261009 ABWJMGFTJXJZJE-UHFFFAOYSA-N 319.836 4.464 50 40 DIGB CC(C)(C)C(=O)/C(C#N)=C/Nc1nc(-c2ccccc2)cs1 100942206 TZDFEVCCLWYADC-JLHYYAGUSA-N 311.410 4.245 50 40 DIGB CCOc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1 253561840 COLSXPVQSZYPHA-KGENOOAVSA-N 318.376 4.002 50 40 DIGB N#C/C(=C\c1cccs1)C(=O)Nc1cccc2ccccc12 566010 UYHMCHWNAQYCFI-SDNWHVSQSA-N 304.374 4.447 50 40 DIGB C/C(=N/NC(=O)c1cccc2ccccc12)c1ccc(C)cc1 5176077 UYKDQSVQKZWMRP-QNGOZBTKSA-N 302.377 4.302 50 40 DIGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OC(C)C 5815806 GOFARKWXHKWTTF-SFQUDFHCSA-N 320.392 4.328 50 40 DIGB C[C@@H]1CCc2nc(/C(C#N)=C\c3ccc(N(C)C)cc3)sc2C1 6545459 CEVCVTDJRWVCKL-LKKYZFDUSA-N 323.465 4.398 50 40 DIGB CC(C)(C)OC(=O)Nc1ccc(Cl)cc1C(=O)CCl 228964831 JCTRJLRGYHCCEX-UHFFFAOYSA-N 304.173 4.109 50 40 DIGB CN(C)c1ccc(/C=C/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1 408542516 LYSFCLQAXGVGFL-ONCSWLTESA-N 318.376 4.071 50 40 DIGB C/C(=N\NC(=O)Cc1cc(C)ccc1C)c1ccc(Cl)cc1 409360423 FIYOGJRLXQOQRK-XSFVSMFZSA-N 314.816 4.040 50 40 DIGB CC(C)c1ccc(/C=C(\C#N)C(=O)NCc2cccs2)cc1 286685 GBYPHIWEZSNLMU-MHWRWJLKSA-N 310.422 4.095 50 40 DIGB CC(C)CO[C@H](CBr)Cc1ccc(Cl)cc1 165131606 YPSHSKPGSUBEOI-ZDUSSCGKSA-N 305.643 4.319 50 40 DIGB CCc1ccc(-c2nc3cc(NC(=O)CCl)ccc3o2)cc1 216855045 ABTIZPMVOWCWJE-UHFFFAOYSA-N 314.772 4.235 50 40 DIGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)O 364728 ZCPWIARLPYBNFI-YVMONPNESA-N 308.120 4.245 50 40 DIGB CC1=C(C#N)C(/C=C(\Cl)c2cccc(C)c2)C(C#N)=C(C)N1 19691785 BUOIRLHOLGBWNF-LSCVHKIXSA-N 309.800 4.389 50 40 DIGB CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C 3615877 VJWLEXMHIDHSBD-SFQUDFHCSA-N 320.392 4.248 50 40 DIGB O=C(Cc1cccc2ccccc12)N/N=C/C=C/c1ccccc1 8380755 FGSNHXAKOOOXGU-AWFLEDEYSA-N 314.388 4.198 50 40 DIGB COc1ccc2[nH]cc(C(=O)/C(C#N)=C\c3cccs3)c2c1 98008680 RHXUONANFZCFQC-XFFZJAGNSA-N 308.362 4.028 50 40 DIGB C/C(=N\NC(=O)CCSc1ccc(Cl)cc1)C(C)(C)C 408719608 HJQOUXPVHDQENX-GZTJUZNOSA-N 312.866 4.360 50 40 DIGB C[C@@H]1CCc2sc(C(=O)Oc3ccc([N+](=O)[O-])cc3)cc2C1 3449285 PEGIZKJTHRHNNG-SNVBAGLBSA-N 317.366 4.000 50 40 DIGB C/C(=N\NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1cccs1 409142259 XGBTVMBNGIGZAC-LVLBFHFTSA-N 318.467 4.078 50 40 DIGB Cc1nc2c(-c3ccccc3)c(C)nn2c(Cl)c1CCCl 5245232 HLVAMRWHELJVEK-UHFFFAOYSA-N 320.223 4.448 50 40 DIGB Cc1occc1C(=O)/C(C#N)=C\c1cc(Br)cs1 96765735 CDHWJTCYOMTJHW-WTKPLQERSA-N 322.183 4.202 50 40 DIGB CCN1C=CC=C/C1=C(/C#N)c1nc(-c2ccccc2)cs1 103688170 UGHPWVOOUFJYAK-BMRADRMJSA-N 305.406 4.450 50 40 DIGB O=C(CBr)CCn1c2ccccc2c2ccccc21 40227621 XSIUALXSVKQXSJ-UHFFFAOYSA-N 316.198 4.149 50 40 DIGB N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)NC1CCCCC1 59433027 CIEFPTGATPMXHO-DTQAZKPQSA-N 320.392 4.302 50 40 DIGB O=C(CCl)N(CC1CCCC1)c1cccc(C(F)(F)F)c1 199757656 CNWKMQPGPCFRNV-UHFFFAOYSA-N 319.754 4.467 50 40 DIGB CC1(C)[C@@H]2CC[C@@]1(CBr)c1nc3ccccc3nc12 527303 SJPGQDHPHUPUKG-QLJPJBMISA-N 317.230 4.180 50 40 DIGB C[C@@H](CN1CCCCC1)SS[C@@H](C)CN1CCCCC1 1666672 BWDJDIXFZROUAO-HOTGVXAUSA-N 316.580 4.117 50 40 DIGB N#C/C(=C\c1c(F)cccc1Cl)C(=O)Nc1ccccc1F 7156480 OQDDUXQVJTUONZ-CSKARUKUSA-N 318.710 4.164 50 40 DIGB O=P(OCc1ccccc1)(c1ccccc1)c1ccccc1 104149657 BUBAPAVHHCZZMA-UHFFFAOYSA-N 308.317 4.132 50 40 DIGB Cc1cccc(O[C@H](C)C(=O)NN=Cc2ccc(C(C)C)cc2)c1 12462845 XEVMSTDIAJDVCJ-MRXNPFEDSA-N 324.424 4.036 50 40 DIGB C/C(O)=C/[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104173058 NKXRKLWNWCMHMB-ZCXUNETKSA-N 320.372 4.132 50 40 DIGB O=C(CSc1ccc(Cl)cc1)NN=C1CCCCCC1 343098 ZKDPNBJZTOCEDP-UHFFFAOYSA-N 310.850 4.259 50 40 DIGB CN(C)c1ccc(/C=C(\C#N)c2nc3c(s2)CCCC3)cc1 12524200 BUOIEKHRXVRSTC-SDNWHVSQSA-N 309.438 4.152 50 40 DIGB N#C/C(=C\c1cccc2ccccc12)C(=O)NCc1ccccc1 3308581 QIRWKSVHPWDKJD-CPNJWEJPSA-N 312.372 4.063 50 40 DIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1 15220164 CFQFIBIGZBRVSI-ATVHPVEESA-N 320.392 4.248 50 40 DIGB O=C(Nc1cccc(C(F)(F)F)c1)O/N=C(/Cl)CCl 73257986 AJNYXOOVOWLZEW-CAOOACKPSA-N 315.078 4.045 50 40 DIGB Cc1cc(C)cc(CSCC(=O)NN=C2CCCCCC2)c1 67028 VLPRYZHCIBMFOE-UHFFFAOYSA-N 318.486 4.363 50 40 DIGB Cc1cccc(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)c1C 7164319 DUWGWUNYBUVCHU-XNTDXEJSSA-N 315.376 4.330 50 40 DIGB Cc1ccc(S[C@@H](NC(=O)C(C)(C)C)C(Cl)Cl)cc1 98047906 ODHYFUZVGNFVOB-GFCCVEGCSA-N 320.285 4.379 50 40 DIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(CC)cc2)cc1 205572125 NKZUUOXVEKWMOU-LGMDPLHJSA-N 320.392 4.193 50 40 DIGB Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)N[C@H]1CCCC[C@@H]1C 3233941 AWKLFMMLKXGPQU-SIIQKGCSSA-N 321.424 4.078 50 40 DIGB Cc1ccccc1/C=C/C(=O)c1ccc(O)c(CCCl)c1 12980720 DDRQOQJIKZTJDD-SOFGYWHQSA-N 300.785 4.378 50 40 DIGB CCOc1ccccc1/C=N\NC(=O)c1cccc2ccccc12 31672150 VUOAKDNFRFEUFV-STZFKDTASA-N 318.376 4.002 50 40 DIGB COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OCC#N 107712377 DDLBZEHKIWQDCT-GDNBJRDFSA-N 324.767 4.315 50 40 DIGB COc1cc(Cl)c(Br)cc1CBr 575674862 UYNODHGBOSZGEE-UHFFFAOYSA-N 314.404 4.006 50 40 DIGB O=C(CCl)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 216854460 AWXPSKQIYDLYOJ-UHFFFAOYSA-N 321.163 4.326 50 40 DIGB C/C(=N\NC(=O)c1ccccc1)c1ccc2c3c(cccc13)CC2 12362525 AQNYYEHDNRDANO-HYARGMPZSA-N 314.388 4.092 50 40 DIGB N#C/C(=C/c1cccs1)c1nc(O)c2cc(Cl)ccc2n1 33471729 CMDPZMPZMMCYRP-TWGQIWQCSA-N 313.769 4.114 50 40 DIGB COc1ccc(/C(C#N)=C/c2ccc(N3CCCC3)cc2)cc1 408583021 QYNWHGHPOFTMKE-NBVRZTHBSA-N 304.393 4.360 50 40 DIGB N#C/C(=C\c1cnn(Cc2ccccc2Cl)c1)c1ccccn1 14094633 KFNCZDSTNCRLCB-CXUHLZMHSA-N 320.783 4.044 50 40 DIGB C/C(=N\NC(=O)c1ccc(C)cc1)c1cccc2ccccc12 14134839 DFGNJVUEYVLJMZ-RCCKNPSSSA-N 302.377 4.302 50 40 DIGB C/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1ccco1 112437 ADOSVDAEFOKQAB-XSFVSMFZSA-N 304.349 4.101 50 40 DIGB CCC/C(=N/NC(=O)c1ccc(OCC)cc1)c1ccccc1 4603336 WLPHVYVUPWAUAV-ZZEZOPTASA-N 310.397 4.020 50 40 DIGB Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)o1 33284301 INDUBBXKOQITSD-YFHOEESVSA-N 321.163 4.441 50 40 DIGB CCCCOc1cc(/C=C(\C#N)C(=O)[C@H](C)CC)ccc1OC 96316131 BIXVXYIYKFPDAW-DSQDWWTGSA-N 315.413 4.396 50 40 DIGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cl)s2)c1 567484 JRKHEZOOLOFCIB-DHZHZOJOSA-N 302.786 4.256 50 40 DIGB COc1cc(CBr)ccc1OCc1ccccc1 2022784 WQKYDTWWUMQVDT-UHFFFAOYSA-N 307.187 4.169 50 40 DIGB O=C(N/N=C/c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 6221141 NFVINLVXPAXTTO-RGVLZGJSSA-N 316.832 4.007 50 40 DIGB Cc1ccc(OCC(C)C)c(CN(CCCl)CCCl)c1 59883138 YQVFWPLUQHFDEL-UHFFFAOYSA-N 318.288 4.309 50 40 DIGB N#C/C(=C/c1cccn1-c1ccc(O)cc1)c1ccc(F)cc1 409021953 GITCCDVZCVOFEO-QINSGFPZSA-N 304.324 4.386 50 40 DIGB CCN(C)c1ccc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc1 4855434 WIBLHDOULDCCBO-FOWTUZBSSA-N 316.408 4.392 50 40 DIGB COc1cc(C=C(C#N)C#N)ccc1OCc1cccc(C)c1 59133137 ZKLVROGNZUTOIZ-UHFFFAOYSA-N 304.349 4.013 50 40 DIGB C[P+](C#Cc1ccccc1)(c1ccccc1)c1ccccc1 102585764 MDISBYRPUJGBRC-UHFFFAOYSA-N 301.349 4.294 50 40 DIGB CCOC(=O)/C(C#N)=C/c1c2ccccc2cc2ccccc12 100317 YLLSITVKFQWBAG-FOWTUZBSSA-N 301.345 4.463 50 40 DIGB CC(C)(CCl)C(=O)Nc1cccnc1Oc1ccccc1F 2158484 ACMMVJOSWJQRTA-UHFFFAOYSA-N 322.767 4.217 50 40 DIGB CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cccc(O)c2)cc1 6003675 PFUVAMLOMXSEIG-RQNDZEIBSA-N 320.392 4.451 50 40 DIGB N#CCn1cc(/C=C(/C#N)c2ccccc2F)c2ccccc21 6548894 XTRWBYAMAKOHSQ-KAMYIIQDSA-N 301.324 4.368 50 40 DIGB C[C@@H](NC(=O)/C(C#N)=C\c1cccc(Cl)c1)c1ccccc1 59133149 ALAKOPNVILNLCZ-YDRQLGOLSA-N 310.784 4.124 50 40 DIGB C/C(=N\NC(=O)Cc1ccc(C)c(C)c1)c1cc(C)ccc1C 408589384 LNPKAFJFJMOGPQ-HEHNFIMWSA-N 308.425 4.003 50 40 DIGB Cc1cc(/C=C(/C#N)c2ccccc2F)ccc1N1CCOCC1 6044133 PSDMLHJGTGPSFC-LGMDPLHJSA-N 322.383 4.035 50 40 DIGB COc1ccc2cc(/C(C)=N/NC(=O)OC(C)(C)C)ccc2c1 7947428 AKMPFPIVKBCFLY-XDHOZWIPSA-N 314.385 4.097 50 40 DIGB COc1ccc2c(c1)N(C(=O)CCCCl)C(C)(C)C[C@H]2C 223240810 KDTUYLLDBBHORT-GFCCVEGCSA-N 309.837 4.333 50 40 DIGB N#C/C(=C/c1c[nH]c2ccccc12)c1nc2ccc(F)cc2[nH]1 408568993 XXJLFGKLJNMUDV-XFFZJAGNSA-N 302.312 4.247 50 40 DIGB N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 6251719 WIMBJYMWMUFOLE-DDHXKYOOSA-N 321.292 4.123 50 40 DIGB CCCCO[C@H](c1ccc2c(c1)OCO2)[C@H](C)Br 1614618 NCEMSXOKWQLAJE-HZMBPMFUSA-N 315.207 4.057 50 40 DIGB O=C(N/N=C1\CC2C[C@H]3CC1C[C@@H](C2)C3)[C@H]1C[C@@H]1c1ccccc1 257346739 XZHMXVPECLRWSD-LXFZENCXSA-N 322.452 4.109 50 40 DIGB CC(=O)N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1 409022240 KMMIWJLBHZXQAI-OVCLIPMQSA-N 310.831 4.023 50 40 DIGB CCOC(=O)c1ccc(C(=O)[C@H](Cl)c2ccccc2)s1 575361678 DVLKJTYTFLJITK-CYBMUJFWSA-N 308.786 4.088 50 40 DIGB Clc1cc(Cl)c(OCCBr)cc1Cl 1694636 BXTOIKSCRZBWFX-UHFFFAOYSA-N 304.398 4.421 50 40 DIGB N#C/C(=C\c1ccc(OC(F)F)cc1)c1nc2ccccc2[nH]1 4813236 DMVLDPVEMACWOC-FMIVXFBMSA-N 311.291 4.228 50 40 DIGB CC(C)(C)c1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1 2758542 FUWFNUHVKKTDDW-QGOAFFKASA-N 318.420 4.207 50 40 DIGB N#C/C(=C(\O)C(=O)O)c1ccc(-c2cccc3ccccc23)cc1 31659433 ZYQBEJQFCQZLMX-VHEBQXMUSA-N 315.328 4.384 50 40 DIGB in-vitro Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(F)cc1 255916616 XTEQWFBDGFCFSJ-UKTHLTGXSA-N 314.747 4.333 50 40 DIGB N#C/C(=C/c1ccc(O)c(Br)c1)c1cccc(F)c1 409393028 ORSSFFFXAIERCS-SDQBBNPISA-N 318.145 4.358 50 40 DIGB O=C(Nc1nccs1)NN(c1ccccc1)c1ccccc1 42755127 JVKZVUJNJVALSW-UHFFFAOYSA-N 310.382 4.018 50 40 DIGB CC[C@H](C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1 408601101 IJWKCYGOSVLZPI-XOAFGZPJSA-N 320.392 4.410 50 40 DIGB C[C@H](Br)C(=O)c1ccc(-c2ccccc2F)cc1 16158890 ZKIPKMPWEYGXQC-JTQLQIEISA-N 307.162 4.459 50 40 DIGB C[C@H](NC(=O)/C(C#N)=C/c1ccc([C@@H]2C[C@@H]2C)o1)c1ccccc1 16967991 WNZKODCEPSIXIA-IXMVXVRUSA-N 320.392 4.187 50 40 DIGB Cc1[nH]c2ccccc2c1/C=C(/C#N)c1ccc2c(c1)OCO2 409363379 LLYKCPJTIBZPJI-ZSOIEALJSA-N 302.333 4.269 50 40 DIGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1 4520148 RTXDVADYDSJICL-UDWIEESQSA-N 314.816 4.401 50 40 DIGB COc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1C(=O)O 5558846 WNCPITGCNZHMFH-JYRVWZFOSA-N 313.740 4.111 50 40 DIGB C/C(=N\NC(=O)C1CC1)c1ccc2c(c1)Nc1ccccc1S2 8104744 YXFAZRPLMMYNMC-RGVLZGJSSA-N 323.421 4.145 50 40 DIGB CC(C)OC(=O)/C(C#N)=C/c1cnc(C2CCCCC2)s1 96057853 JAOORZYMWISPAC-MDWZMJQESA-N 304.415 4.049 50 40 DIGB CCC(C)(C)OOC(C)(C)C#C[C@@]1(O)C[C@H]2C[C@H]1[C@H](C)C2(C)C 100755846 QSEHPXZLHGUBIT-KSVNGYGVSA-N 322.489 4.338 50 40 DIGB biogenic COc1c(C)cc(C(=O)CCCCCBr)cc1C 575358376 ZMBKQTMPXYDIQS-UHFFFAOYSA-N 313.235 4.450 50 40 DIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)c(O)c(C)c2)c(C)c1 33628138 UIAOBCNNVSZWKL-YVLHZVERSA-N 320.392 4.172 50 40 DIGB O=C(N[C@H](Cl)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 19958508 ISQOTUAXYNOJAU-QMMMGPOBSA-N 321.418 4.005 50 40 DIGB C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1ccc(C)cc1C 216047797 PCENQAAFZZFVOJ-HEHNFIMWSA-N 308.425 4.003 50 40 DIGB CCC(C)(C)OOC(C)(C)C#C[C@]1(O)C[C@H]2C[C@@H]1[C@H](C)C2(C)C 2100617 QSEHPXZLHGUBIT-ROYATCLZSA-N 322.489 4.338 50 40 DIGB CC(C)n1cc(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc21 8812468 OUSRZKFAQZLZQL-SRZZPIQSSA-N 323.371 4.125 50 40 DIGB COc1ccc(/C(Cl)=C(/C=O)c2ccc(F)cc2)cc1OC 17189446 YJEALQZPDPVZST-SAPNQHFASA-N 320.747 4.149 50 40 DIGB CC1(C)OC12[C@H]1c3ccccc3[C@H]2[C@H]2[C@H](Cl)C=C[C@H](Cl)[C@H]21 104292042 YVVUKDJPPRPXMP-SVCKQCGBSA-N 321.247 4.446 50 40 DIGB O=C(Cl)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ccccc12 218727201 IWYZDTMEPDSPGT-UHFFFAOYSA-N 312.712 4.189 50 40 DIGB CCN(CCBr)C(=O)Nc1cccc2ccccc12 1722366 BYWUBEKONOINJV-UHFFFAOYSA-N 321.218 4.089 50 40 DIGB CCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 2795840 VDDUQVAJCWJWBU-RCCKNPSSSA-N 324.424 4.296 50 40 DIGB CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)cc1 5559110 MBGPHNUQHYUHHC-XMHGGMMESA-N 318.420 4.495 50 40 DIGB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@H](Cl)C2=O 4804058 KZGAWCNISQUJCJ-HKQXQEGQSA-N 320.860 4.305 50 40 DIGB biogenic,in-vitro CCCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c1 59116762 HVCJIUCUZBVPSU-PTNGSMBKSA-N 324.355 4.160 50 40 DIGB C[C@H](OC(=O)/C(C#N)=C\c1ccco1)c1cnc2ccccc2c1 64365658 HZMPSEIQVZRSJQ-OJNRTJSBSA-N 318.332 4.039 50 40 DIGB Cc1cc(/C=N/NC(=O)c2ccccc2)c(C)n1C1CCCCC1 8050230 LYZLBNJFIMWBBR-KGENOOAVSA-N 323.440 4.374 50 40 DIGB N#C/C(=C/c1ccc(Br)o1)c1cccc([N+](=O)[O-])c1 34737968 PYAAFMFRROQQLX-YFHOEESVSA-N 319.114 4.014 50 40 DIGB Cc1ccsc1C(=O)/C(C#N)=C/c1csc(C2CC2)n1 66407866 TVJZLHNOYCLWAM-IZZDOVSWSA-N 300.408 4.180 50 40 DIGB CC1(C)[C@]2(C)CC[C@]1(c1ccccc1)[C@@H](Br)C2=O 225805024 ZHTZCIKTGQWAAG-MAZHCROVSA-N 307.231 4.097 50 40 DIGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2cccs2)c1 408779640 ZSNJCKQDKKICOJ-LCYFTJDESA-N 312.394 4.081 50 40 DIGB CSc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 5130807 JUWXHHRBDALIPT-ZMTDSZPYSA-N 314.454 4.010 50 40 DIGB CC/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(C)cc1 5384909 CWBYIRJMDDMUNT-MPDJFOPNSA-N 306.409 4.029 50 40 DIGB COc1cccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)c1 6826326 ZFNDKZXFBZQGMD-OQLLNIDSSA-N 303.365 4.253 50 40 DIGB Cc1cccc(NC(=O)/C(C#N)=C/c2cn(C)c3ccccc23)c1 408816884 MJCBDZRRWBDGDT-RVDMUPIBSA-N 315.376 4.032 50 40 DIGB C=CCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)o1 2669734 VRAIAZDORFMYGE-ZRDIBKRKSA-N 313.740 4.236 50 40 DIGB CCCCC/C(=N\NC(=O)c1cccs1)c1ccccc1 12572636 SXYFZWCMFVQSFV-OBGWFSINSA-N 300.427 4.463 50 40 DIGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc([N+](=O)[O-])c1O 222397088 OHFCZDUTDOIJMN-OVCLIPMQSA-N 324.336 4.072 50 40 DIGB Cc1cc(C)c(O)c(CN(C[C@@H](C)Cl)C[C@@H](C)Cl)c1 1701301 MRONGWSWMIJAPR-CHWSQXEVSA-N 304.261 4.066 50 40 DIGB CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1ccc(C)o1 2643517 YTXGADUDYCHDSP-LFIBNONCSA-N 308.381 4.259 50 40 DIGB CC(C)c1ccc(OCC(=O)N/N=C/C=C/c2ccccc2)cc1 3167662 WXQAKCAJFJMHMI-XJYRWHQTSA-N 322.408 4.004 50 40 DIGB CCC(C)(C)OOC(C)(C)C#CC1(OC(C)=O)CCCCC1 101463018 MPEKHBKKTWXBNI-UHFFFAOYSA-N 310.434 4.171 50 40 DIGB N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)Nc1ccccc1 3324098 PMYIEKXKFYNTCS-JLHYYAGUSA-N 316.282 4.251 50 40 DIGB Cc1cc(Cl)ccc1OCC(=O)NN=C1CCCCCCC1 6269343 XHTFKZQCLZBREN-UHFFFAOYSA-N 322.836 4.244 50 40 DIGB Cc1csc(/C(C#N)=C\C2=Cc3cc(Cl)ccc3OC2)n1 82070140 KQAJIUUAWZSRRG-ACAGNQJTSA-N 314.797 4.488 50 40 DIGB N#C/C(=C/c1cccnc1)c1nc(-c2ccc(F)cc2)cs1 96878860 VVKCNNPVMBCWDH-ZSOIEALJSA-N 307.353 4.408 50 40 DIGB N#C/C(=C1/Nc2ccccc2N=C1Cl)c1nc2ccccc2[nH]1 107508932 ZQKAOFNDTVFRPK-GDNBJRDFSA-N 319.755 4.192 50 40 DIGB C/C(=N\NC(=O)Cc1ccc(C(C)(C)C)cc1)c1ccccc1 408566669 IIOKTCZKSCOAAB-RCCKNPSSSA-N 308.425 4.067 50 40 DIGB FC(F)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 59188479 JOVMGYNDCRANMM-UHFFFAOYSA-N 313.307 4.203 50 40 DIGB Cc1ccsc1/C=N/NC(=O)c1ccc(C(C)(C)C)cc1 256666 VQAQRYHBZCMRPD-WOJGMQOQSA-N 300.427 4.118 50 40 DIGB O=[N+]([O-])c1ccc(S[C@@H]2CCCC[C@H]2Cl)c([N+](=O)[O-])c1 1640996 LTAJOOMBQCYMBL-MWLCHTKSSA-N 316.766 4.145 50 40 DIGB CCC[C@@H](CNC(=O)CCl)c1ccc(Cl)cc1Cl 3337375 POJIBDPGGAVRCY-VIFPVBQESA-N 308.636 4.232 50 40 DIGB COc1ccc(/C(C)=C(\C#N)c2nc3ccccc3[nH]2)cc1OC 9915595 DZSKIULYBWYBQT-WYMLVPIESA-N 319.364 4.034 50 40 DIGB N#C/C(=C\c1ccc(Sc2ccccn2)o1)c1ccccn1 585086295 MXRKLSWCRLPRHT-ACCUITESSA-N 305.362 4.285 50 40 DIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1 131389 NELDNCYCSQSZQE-KGENOOAVSA-N 318.376 4.002 50 40 DIGB COc1cccc2c3c(c(C)nc12)C[C@H](C(Cl)Cl)S3 290741 ICSFUFUYMUURAU-LLVKDONJSA-N 314.237 4.372 50 40 DIGB C/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)C(C)(C)C 4507918 ARSUZYCHQOYKBN-RCCKNPSSSA-N 308.425 4.357 50 40 DIGB N#C/C(=C\c1ccco1)C(=O)Nc1ccc(Cl)c(Cl)c1 5769405 WJJLUKDORKUORX-RMKNXTFCSA-N 307.136 4.132 50 40 DIGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccccc1Cl 6410783 AGBXHJUKVPMWQL-FMIVXFBMSA-N 300.720 4.025 50 40 DIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc1 15219423 VVNDDOXBPDRYRP-LGMDPLHJSA-N 320.392 4.193 50 40 DIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(C#N)cc2)cc1Cl 33381005 SZORQRYZMCYJAV-NVNXTCNLSA-N 321.767 4.066 50 40 DIGB N#C/C(=C\c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1 150304 QYEUAMZGJYWBCM-DHZHZOJOSA-N 302.692 4.451 50 40 DIGB CC1(C)[C@H](CBr)CC[C@]1(C)C(=O)Nc1ccccc1 3845956 LOPKFFUAMXKYCR-BLLLJJGKSA-N 324.262 4.463 50 40 DIGB biogenic CS[C@@H](C(=O)Nc1ccccc1)[C@H](Cl)c1ccc(F)cc1 5515298 TZNYNQVETZQGOU-HUUCEWRRSA-N 323.820 4.476 50 40 DIGB C[C@@H](Cl)C(=O)Nc1cc(Cl)ccc1N1CCCCCC1 34776678 XOEJWSNQZQHURL-LLVKDONJSA-N 315.244 4.286 50 40 DIGB CCCOc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1 77181305 GUEBHLLALYQLFL-ATVHPVEESA-N 320.392 4.330 50 40 DIGB N#C/C(=C\c1cc2c(cc1Cl)OCO2)c1cccc(C#N)c1 408569038 YHMBHIILPCSPSF-LHHJGKSTSA-N 308.724 4.005 50 40 DIGB Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(N(C)C)cc3)nc2c1 4017916 HPZZBTZWXSLHBM-RVDMUPIBSA-N 302.381 4.002 50 40 DIGB CCn1nccc1/C=C(\C#N)c1nc(-c2ccccc2)cs1 17031358 IZIRLFNOJJBUDR-GXDHUFHOSA-N 306.394 4.091 50 40 DIGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1SC 96180204 WFHOWYSKZKQGBQ-UKTHLTGXSA-N 321.405 4.358 50 40 DIGB CCCc1ccc(/C(C)=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 6046103 YTTWFUDPHLIIGY-KASXZYKHSA-N 320.436 4.283 50 40 DIGB CCN(CC)c1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1 13370390 UJJAHCUHQPONAR-SSZFMOIBSA-N 316.408 4.473 50 40 DIGB COc1ccc(C(=O)Cl)cc1OCc1ccc(Cl)cc1 218720457 JPBONCNWARBORD-UHFFFAOYSA-N 311.164 4.307 50 40 DIGB CC(C)(C)c1ccc(CC/C=N/NC(=O)c2ccccc2O)cc1 4091383 UVCNOUHEGSYOLI-KGENOOAVSA-N 324.424 4.038 50 40 DIGB CC(C)Oc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1 6256482 UPANYVRKSFSVTA-YBEGLDIGSA-N 308.337 4.446 50 40 DIGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c(C)[nH]1 13750025 MIPXFPIBPATVHQ-ZDLGFXPLSA-N 315.376 4.330 50 40 DIGB C[C@H](NC(=O)/C(C#N)=C/c1ccc([C@@H]2C[C@H]2C)o1)c1ccccc1 16967990 WNZKODCEPSIXIA-OXKVWLDCSA-N 320.392 4.187 50 40 DIGB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N/N=C\c1ccccc1Cl)C2 100261321 VSYQPZXMQOGAJS-CYEMMQIZSA-N 316.832 4.173 50 40 DIGB CCC(C)(C)OOC(C)(C)C#C[C@]1(O)C[C@H]2CC[C@@]1(C)C2(C)C 504650687 BGJBEAJSJIYELC-XPGWFJOJSA-N 322.489 4.483 50 40 DIGB Cc1csc(/C(C#N)=C/c2ccccc2OC(F)(F)F)n1 14188171 GYMYEVPXAQEIFJ-IZZDOVSWSA-N 310.300 4.414 50 40 DIGB CCN(CC)CCOc1cccc(/C=C(\C#N)c2ccccc2)c1 17002514 IXHLUYKHEOGYCG-HMMYKYKNSA-N 320.436 4.471 50 40 DIGB COc1ccc2[nH]cc(C(=O)/C(C#N)=C/c3ccc(C)s3)c2c1 40139903 VHSMHDSFQXOWHO-KPKJPENVSA-N 322.389 4.336 50 40 DIGB C=CCOc1ccc(/C=C(/C#N)C(=O)c2cccc(OC)c2)cc1 96669724 JRGJBGRPLGOGOU-ATVHPVEESA-N 319.360 4.050 50 40 DIGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C\c1cccc2ccccc12 408718832 NCUMMKJAIMSCII-ZFGUEWIESA-N 306.409 4.116 50 40 DIGB ClCCN(CCCl)CCc1csc2ccccc12 1574255 YHUKQMYLXQLRBU-UHFFFAOYSA-N 302.270 4.223 50 40 DIGB C[C@H](Cl)[C@H](Sc1ccccc1)C(=O)Nc1ccccc1 5515648 SPONJSZVBUIGEY-WFASDCNBSA-N 305.830 4.413 50 40 DIGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(C)c(Cl)c2)o1 16682048 PGGMQKNQCJRUMF-JYRVWZFOSA-N 315.756 4.379 50 40 DIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)o1 17055147 UXTYZVPRSAIMNE-DHZHZOJOSA-N 320.270 4.153 50 40 DIGB COC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)s1 5214828 BTNDOOOTTQGDBJ-DHZHZOJOSA-N 303.770 4.148 50 40 DIGB N#CSc1ccc(NC(=O)C2=Cc3ccccc3OC=C2)cc1 11689858 BWCZXMNBZLCUFB-UHFFFAOYSA-N 320.373 4.188 50 40 DIGB Clc1cc(-c2ccc(CBr)cc2)nnc1Cl 32918425 XCZSNEFBLGALMO-UHFFFAOYSA-N 318.001 4.345 50 40 DIGB C[C@@H](NC(=O)/C(C#N)=C\c1ccccc1Cl)c1ccccc1 83293104 SCFRLFDVJJZFMV-YYTPVVGHSA-N 310.784 4.124 50 40 DIGB C/C(=N/NC(=O)Cc1cccc2ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2 107547614 FSOLBJWJEBJTHW-SSQRNFIOSA-N 320.436 4.311 50 40 DIGB CC(C)N(C(=O)CCl)c1ccc(Nc2ccccc2)cc1 7719328 VBONXHKIHFYZOD-UHFFFAOYSA-N 302.805 4.410 50 40 DIGB C/C(=N\NC(=O)c1csc(C(C)C)c1)[C@@H]1C[C@H]2CC[C@@H]1C2 20550100 JHUFHYHOCVNYCM-UZHLGIGRSA-N 304.459 4.413 50 40 DIGB CCOc1ccccc1/C=N/NC(=O)c1ccc2ccccc2c1 42645479 FDTNLSHZNYKSQM-KGENOOAVSA-N 318.376 4.002 50 40 DIGB C#CCOc1ccc(/C=C(\C#N)c2ccc(C)cc2)cc1OC 209482676 YQYPZWBLKJLZQW-LDADJPATSA-N 303.361 4.080 50 40 DIGB Cc1ccc(SCCC(=O)NN=C2CCCCCC2)cc1 409126302 NNJMIADGDFMGNZ-UHFFFAOYSA-N 304.459 4.304 50 40 DIGB O=S(=O)(c1ccccc1)[C@H](Cl)c1cccc(Cl)c1 1733330 NIGXDQBQTOLBMV-ZDUSSCGKSA-N 301.194 4.051 50 40 DIGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1c(F)cccc1Cl 7157989 TZAOVULZUWRPIG-ALSZNTJWSA-N 320.795 4.081 50 40 DIGB CCOc1ccc(/C=C(\C#N)c2ccc(C)cc2)cc1C(=O)O 408579050 CPBVEMQARBOWBB-MHWRWJLKSA-N 307.349 4.156 50 40 DIGB Cc1ccccc1[PH](C)(c1ccccc1C)c1ccccc1C 104157690 BOIDJZYCUUMIPM-UHFFFAOYSA-N 320.416 4.268 50 40 DIGB CCOc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1 1027961 KBNHPVOJBWOICT-KGENOOAVSA-N 318.376 4.002 50 40 DIGB Cc1cc(C)cc(NC(=O)/C(C#N)=C/C=C/c2ccccc2)c1 81391 OQJZKLBBOMRMLQ-XICJKMHVSA-N 302.377 4.405 50 40 DIGB C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)C1 245377363 KATNNXZDWUXEDO-MZBMENMPSA-N 308.425 4.195 50 40 DIGB O=C(CCSc1ccccc1)NN=C1CCCCCCC1 408838661 ZCONZHYTLOXRFL-UHFFFAOYSA-N 304.459 4.385 50 40 DIGB N#C[C@@H](Cl)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2567055 BGSSPTHCROWCMS-VIFPVBQESA-N 301.617 4.398 50 40 DIGB CC(C)(C)OC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1 6186784 XHTITEXUVYFJLW-CPNJWEJPSA-N 312.369 4.338 50 40 DIGB C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 5282542 NNFUZSVNATUTLT-VCHYOVAHSA-N 307.180 4.147 50 40 DIGB CCOC(=O)N/N=C(\C)c1ccc(Cl)c(Cl)c1Cl 6497424 BMBSZWMUZKVHDO-GIDUJCDVSA-N 309.580 4.117 50 40 DIGB COc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)cc1OC 13014862 YVYKFLONOUENGR-NTUHNPAUSA-N 312.394 4.102 50 40 DIGB CSc1ccccc1P(c1ccccc1)c1ccccc1 104207330 KLSMNXQAUOVJIG-UHFFFAOYSA-N 308.386 4.167 50 40 DIGB ClC1=C(Cl)[C@@]2(Cl)C[C@@]1(Cl)C[C@H]2CBr 104327014 LTQYIQCFHYYWHF-ZQASAOEGSA-N 324.860 4.449 50 40 DIGB Cc1[nH]c2ccccc2c1/C=C(/C#N)c1ccc(C(=O)O)cc1 408545347 YATVYVWVMVDBHL-GDNBJRDFSA-N 302.333 4.239 50 40 DIGB CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)N[C@@H](C)CC 408812416 SNDHDBVXXKEDSC-AOHITCTBSA-N 322.408 4.060 50 40 DIGB CCn1c(C)cc(/C=N/NC(=O)c2ccc3ccccc3c2)c1C 409099018 ROLTUFQOVBADLX-FYJGNVAPSA-N 319.408 4.042 50 40 DIGB CCCCC(=O)N/N=C/c1ccc(N(C)c2ccccc2)cc1 2843255 UKBYZHROLPMYKR-HMMYKYKNSA-N 309.413 4.095 50 40 DIGB COc1ccc(/C=C(\C#N)c2nc3c(s2)C[C@H](C)CC3)cc1 5445809 LRYQSFUOUXSKSC-HLVNSREUSA-N 310.422 4.341 50 40 DIGB Fc1cc(Cl)cc(Br)c1CBr 575674648 BTFJCCBBOBVEIC-UHFFFAOYSA-N 302.368 4.137 50 40 DIGB N#C/C(=C\Nc1ccc2c(c1)OCO2)c1nc2ccccc2s1 531794 OHBFFGGFUSNLNN-PKNBQFBNSA-N 321.361 4.002 50 40 DIGB CCC(C)(C)OOC(C)(C)C#C[C@](C)(OC(C)=O)C(C)(C)C 2289146 WSNNNLBOCDPDFT-SFHVURJKSA-N 312.450 4.273 50 40 DIGB Cc1ccc(C(=O)N[C@@H](c2ccccc2)C(Cl)Cl)cc1 3077354 GBEXSXGFCAZXRG-AWEZNQCLSA-N 308.208 4.270 50 40 DIGB N#CC(C#N)=Cc1ccc(Sc2nc3ccccc3s2)o1 196174072 BCZKDYWFUZCHSI-UHFFFAOYSA-N 309.375 4.471 50 40 DIGB Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)N[C@H]1CCCC[C@H]1C 4964909 AWKLFMMLKXGPQU-BJWRELSSSA-N 321.424 4.078 50 40 DIGB N#CC1=C(N)Oc2ccc3ccccc3c2[C@H]1c1cccs1 584798 PGBMMYWDVOLUOO-QGZVFWFLSA-N 304.374 4.119 50 40 DIGB Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)c1ccccn1 4868397 ISMXPLCDVCNBQZ-SDNWHVSQSA-N 320.783 4.293 50 40 DIGB O=C(N/N=C1/C[C@H]2C=CC[C@H]12)c1sc2ccccc2c1Cl 6341801 VRNFDGYXLHWKDU-MDSHZVLQSA-N 316.813 4.237 50 40 DIGB C[C@@H]1CC[P+](c2ccccc2)(c2ccccc2)c2ccccc21 104186472 IOHVUQKLAGAQKP-GOSISDBHSA-N 317.392 4.488 50 40 DIGB ClC[C@@H](CBr)OCc1ccc2ccccc2c1 110748130 PQRCQGCHCUOYAZ-CQSZACIVSA-N 313.622 4.359 50 40 DIGB CCc1cc(Cl)cc2sc(NC(=O)CCCCl)nc12 20133590 XRAFPYUDYSPTDM-UHFFFAOYSA-N 317.241 4.470 50 40 DIGB C[C@@]12CC3CC(SCCNC(=N)CCl)(C1)C[C@@](C)(C3)C2 104157557 DRJKWNAUMZICSC-ZTTSNEECSA-N 314.926 4.274 50 40 DIGB COc1cc(N2CCCC2)ccc1/C=C(/C#N)c1cccc(F)c1 409389433 BAKRFRIIAJQAPC-BOPFTXTBSA-N 322.383 4.499 50 40 DIGB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC=C(C=O)C[C@]34C)[C@@H]1CC[C@@H]2O 17324481 QKKCZNAIRYQRKP-RBZZARIASA-N 302.458 4.125 50 40 DIGB N#C/C(=C/c1ccc(O)c(Br)c1)c1ccccc1F 33782863 FSMPEPBCRQDVGT-XFFZJAGNSA-N 318.145 4.358 50 40 DIGB N#C/C(=C\c1c[nH]nc1-c1cc2ccccc2o1)c1ccccn1 63275105 GGNFPDCRYARHEK-NTEUORMPSA-N 312.332 4.282 50 40 DIGB O=C(NN(c1ccccc1)c1ccccc1)c1ccccc1F 6646317 ALLLDORJYOZQDB-UHFFFAOYSA-N 306.340 4.309 50 40 DIGB CC(C)(C)OC(=O)NCCCCCCCCBr 38603919 XBDSVMQPKSQVMH-UHFFFAOYSA-N 308.260 4.247 50 40 DIGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(F)c(Cl)c2)o1 113831875 FJGIKLRTALOXMP-XFFZJAGNSA-N 319.719 4.209 50 40 DIGB CC[C@H](C)O[C@@H](c1ccc2c(c1)OCO2)[C@@H](C)Br 5218006 OYIKWJICWNLAOW-IMSIIYSGSA-N 315.207 4.055 50 40 DIGB Cc1cc(C)c(N/C=C(\C#N)C(=O)Nc2ccccc2)c(C)c1 57413871 FNKIJCUACSCDHK-FOWTUZBSSA-N 305.381 4.070 50 40 DIGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 205556706 XZCOQKIIMNWTTK-LGMDPLHJSA-N 318.376 4.106 50 40 DIGB CCOc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1 512508 DOUKEZHLOAPTBY-KGENOOAVSA-N 324.424 4.147 50 40 DIGB Cc1ccc(S(=O)(=O)/C=C(\SC#N)C2CCCCC2)cc1 17043924 PIAJTCNVHHNTJR-WJDWOHSUSA-N 321.467 4.405 50 40 DIGB Cc1ccc(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)c(C)c1 59133172 DGLZMWPIGAWPBJ-XNTDXEJSSA-N 315.376 4.330 50 40 DIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)o1 568018 GWEBYEVAYKLQGG-UXBLZVDNSA-N 321.163 4.441 50 40 DIGB CCC/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 13476422 KFKMLSMRHRNXER-RYKSPBIKSA-N 306.409 4.111 50 40 DIGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(CC)c1C 409070352 LPSWLSXMPRCXNA-PDGQHHTCSA-N 321.424 4.233 50 40 DIGB C/C(=N\NC(=O)C1CC1)c1ccc(-c2ccc(Cl)cc2)s1 21909067 MQKRBVGTIPRUBJ-VCHYOVAHSA-N 318.829 4.319 50 40 DIGB C[C@H](Cl)C(=O)Nc1cc(Cl)ccc1N1CCCCCC1 34776675 XOEJWSNQZQHURL-NSHDSACASA-N 315.244 4.286 50 40 DIGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)c(O)c(C)c2)cc1 35077796 TUZQVHOLJVTXLB-BOPFTXTBSA-N 320.392 4.117 50 40 DIGB O=C(CNc1cccc2ccccc12)NN=C1CCCCCC1 60551 MDSFNBFOPHLJSU-UHFFFAOYSA-N 309.413 4.078 50 40 DIGB COC(=O)OC1(C#CC(C)(C)OOC(C)(C)C)CCCCC1 98045165 RSLFSRJQCDHEFN-UHFFFAOYSA-N 312.406 4.001 50 40 DIGB ClCCCOP(OCCCCl)OCCCCl 117679049 MNYMCNKOMVREHV-UHFFFAOYSA-N 311.573 4.150 50 40 DIGB COc1ccc(Cl)c(C(=O)CCCCBr)c1 309179320 BKRNGUXPMGGLAU-UHFFFAOYSA-N 305.599 4.097 50 40 DIGB C[C@H](SCc1ccccc1)C(=O)NN=C1CCCCCC1 408720307 YDSSPQVRCJKUJR-AWEZNQCLSA-N 304.459 4.135 50 40 DIGB CCOc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OC 4631297 SEEPOTKWXJUZSV-GXDHUFHOSA-N 319.364 4.034 50 40 DIGB N#C/C(=C\C=C(/Cl)c1ccccc1O)C(=O)c1cccs1 2577946 DHNIQPQGQWCCIC-NVGJIZNYSA-N 315.781 4.366 50 40 DIGB O=C(Nc1ccc(Cl)c(Cl)c1)Oc1cc(CCl)on1 4106396 XCBIGFTYWPTQRK-UHFFFAOYSA-N 321.547 4.331 50 40 DIGB C[C@@]12CC[C@@H](c3nc4ccccc4nc31)[C@@]2(C)CBr 4137275 ZRRCOFSLOVSUTR-AMKSKSKJSA-N 317.230 4.180 50 40 DIGB Cc1ccc(C(=O)N/N=C\c2ccc(Cl)cc2Cl)cc1 5329051 AJMVWRBZRUEODH-NVMNQCDNSA-N 307.180 4.066 50 40 DIGB CC(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)cc1 97152361 BYTRRFTVQVNPGA-PDGQHHTCSA-N 305.377 4.398 50 40 DIGB COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1Cl 13401606 LRIPVDMTWUQBJG-XYOKQWHBSA-N 309.756 4.289 50 40 DIGB N#CC(C#N)=CNc1ccc(Sc2ccc(Cl)cc2)nc1 95929208 PIXXBVBJJVQQDC-UHFFFAOYSA-N 312.785 4.229 50 40 DIGB BrCC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 100009125 SKQVGBXLHPBGHY-SAAXCQNUSA-N 308.057 4.115 50 40 DIGB CCCCCCCCCCCC[S@@](=O)C[C@H](Cl)CO 100244476 OZYBGLXHFCSSPV-BEFAXECRSA-N 310.931 4.256 50 40 DIGB COc1ccsc1CN(C(=O)CCl)c1c(C)cccc1C 900610 KDWQYMVPYJGPHS-UHFFFAOYSA-N 323.845 4.146 50 40 DIGB biogenic,in-vitro Cc1ccccc1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1 2748581 IMHNMHDBCUCLIS-GIJQJNRQSA-N 307.180 4.066 50 40 DIGB CC(C)(C)C(=O)/C(C#N)=C/Nc1cc(C(F)(F)F)ccc1F 5292521 NUASTNQARIYVIP-CMDGGOBGSA-N 314.282 4.279 50 40 DIGB O=C(/C=C/c1ccc(F)c(F)c1)c1ccc(O)c(CCCl)c1 12990219 SDHCZDWSQCZMKN-GORDUTHDSA-N 322.738 4.348 50 40 DIGB CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(C)cc1Cl 13842652 UAAHWQVKPLNXNJ-VZDLKAQZSA-N 312.800 4.468 50 40 DIGB O=C(N/N=C/[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(Cl)cc1Cl 101114020 IHWVROKCASYHCP-HKVHGPHISA-N 311.212 4.145 50 40 DIGB Cc1ccc(S[C@@H](C)C(=O)NN=C2CCCCCC2)cc1 409139891 CHSJDCDVUYGFEK-AWEZNQCLSA-N 304.459 4.302 50 40 DIGB CCCCCOc1ccccc1/C=N/NC(=O)c1ccc(C)cc1 3081487 MBBZAGFNXZFNSL-RCCKNPSSSA-N 324.424 4.328 50 40 DIGB CC(/C=N/NC(=O)c1ccc(C)cc1Cl)=C\c1ccccc1 4815517 ITHSIGLTRFLGMJ-LRTDHGKOSA-N 312.800 4.468 50 40 DIGB N#C/C(=C\c1cccc(O)c1)C(=O)Nc1ccc2ccccc2c1 408755531 VIQYVXSDPCMBLH-LICLKQGHSA-N 314.344 4.091 50 40 DIGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1 140228 SOSPWXXLLKJNCV-GZTJUZNOSA-N 320.392 4.166 50 40 DIGB COc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 495859 QGDCTWXKVWDYDX-MDWZMJQESA-N 314.728 4.321 50 40 DIGB O=C(CCl)N1c2ccccc2SC[C@H]1c1ccccc1 4206606 OROHWSNJKUHQRF-AWEZNQCLSA-N 303.814 4.105 50 40 DIGB O=C(Cc1cccc2ccccc12)N/N=C/CCc1ccccc1 5682379 ZUXRFFNYBPGUGY-PXLXIMEGSA-N 316.404 4.117 50 40 DIGB O=C(CCCl)Nc1ccc(Cl)cc1C(=O)c1ccccc1 5871439 MDAYBZNGMUBINN-UHFFFAOYSA-N 322.191 4.138 50 40 DIGB CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)o2)cc1 6209597 UPVHSAPVVDAYIF-FOWTUZBSSA-N 308.381 4.476 50 40 DIGB CS[C@H](C(=O)Nc1ccccc1)[C@@H](Cl)c1ccc(F)cc1 5515295 TZNYNQVETZQGOU-GJZGRUSLSA-N 323.820 4.476 50 40 DIGB CCCCCC(=C/c1ccccc1)/C=N/NC(=O)c1cccnc1 96683097 QBKKJWODMUTXAX-QWYLDISPSA-N 321.424 4.461 50 40 DIGB CCC(C)(C)c1ccc(O)c(CN(CCCl)CCCl)c1 1724251 QFXAJWAGSGJLNA-UHFFFAOYSA-N 318.288 4.359 50 40 DIGB CCCCCCCC(=O)N/N=C/c1c(O)ccc2ccccc12 2325616 AMAAYPAHOFZWRM-XSFVSMFZSA-N 312.413 4.356 50 40 DIGB COc1cccc(/C=C(\C#N)c2nc3ccccc3s2)c1O 28297252 SIFRFNYHUXIIJI-FMIVXFBMSA-N 308.362 4.075 50 40 DIGB CC1(C)[C@]2(C)CC[C@@]1(c1ccccc1)[C@H](Br)C2=O 252510341 ZHTZCIKTGQWAAG-DAXOMENPSA-N 307.231 4.097 50 40 DIGB O=c1oc(-c2ccccc2CCl)nc2cc(Cl)ccc12 164268 VCISPKNFQLGMJI-UHFFFAOYSA-N 306.148 4.247 50 40 DIGB CC(C)(C)CN(C(=O)CCl)c1cccc(C(F)(F)F)c1 199755101 SMNTVVFXFHQSMB-UHFFFAOYSA-N 307.743 4.323 50 40 DIGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1 1957176 VYWJYTQMRGXFFB-UDWIEESQSA-N 314.816 4.401 50 40 DIGB CCC(CC)=NNC(=O)CSCc1ccc2ccccc2c1 408727116 ORUBHSABJOTJSY-UHFFFAOYSA-N 314.454 4.365 50 40 DIGB Cc1ccccc1C(=O)N/N=C/c1cn(C(C)C)c2ccccc12 13595233 GJJUVTULMMDMRZ-CIAFOILYSA-N 319.408 4.295 50 40 DIGB COc1ccccc1/C=C(/C#N)c1nc2cc(C)c(C)cc2[nH]1 51102935 RWLKMOCPZTZTMD-GDNBJRDFSA-N 303.365 4.253 50 40 DIGB COc1ccc(C(=O)[C@@H](Br)c2ccccc2)cc1F 499838 QYJSFUBOTZZDPO-AWEZNQCLSA-N 323.161 4.153 50 40 DIGB N#C/C(=C\c1cccn1-c1ccccc1)C(=O)Nc1ccccc1 573776 YSWKAANNYQKCMF-JQIJEIRASA-N 313.360 4.023 50 40 DIGB Cc1ccc(-c2csc(/C(C#N)=C3\C=CC=CN3C)n2)cc1 12699373 GDTPMWYXWCUMCK-BMRADRMJSA-N 305.406 4.369 50 40 DIGB N#C/C(=C\c1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cn1 24362186 LGZYFBLZXAZIIJ-YRNVUSSQSA-N 319.242 4.073 50 40 DIGB COc1ccc(/C(C#N)=C/c2ccc(O)c(Cl)c2)cc1OC 408584084 ZXYDDKNGEUKRLG-NTUHNPAUSA-N 315.756 4.127 50 40 DIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(C)C)cc1 32752170 BJMKLDXOVPITHH-SFQUDFHCSA-N 320.392 4.328 50 40 DIGB CCC[C@@H](I)CC(F)(F)C(F)(F)F 98210385 KICGRDMJLPOUCU-RXMQYKEDSA-N 316.051 4.178 50 40 DIGB COc1ccc(-c2nc3cc(CBr)ccc3o2)cc1 216797568 VPODNUVGTRPCEJ-UHFFFAOYSA-N 318.170 4.398 50 40 DIGB CC(C)(CCl)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 2152092 CKRZSANHMMXUKB-UHFFFAOYSA-N 322.767 4.217 50 40 DIGB C[C@H]1CCCCN1c1c(Cl)cc(C(=O)Cl)cc1[N+](=O)[O-] 70462576 CSDAXHQOICWPPG-QMMMGPOBSA-N 317.172 4.006 50 40 DIGB CCn1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c2ccccc21 408744886 HZQIVJCJTXRXHQ-QINSGFPZSA-N 315.376 4.207 50 40 DIGB C/C(=N/NC(=O)c1csc(C(C)C)c1)[C@H]1C[C@H]2CC[C@@H]1C2 17031132 JHUFHYHOCVNYCM-SENGUPFNSA-N 304.459 4.413 50 40 DIGB Cc1[nH]c2ccccc2c1/C=C(/C#N)C(=O)NC1CCCCCC1 17055836 FIKVNMSYMSHJKV-QINSGFPZSA-N 321.424 4.222 50 40 DIGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1cccc(Cl)c1 33328048 VKUYMTUFZXCMQH-SDQBBNPISA-N 300.701 4.018 50 40 DIGB O=C(OC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 100475526 JYLOGOQBKJNTJR-UHFFFAOYSA-N 302.329 4.351 50 40 DIGB C/C(=N/NC(=O)c1csc(C(C)C)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101156306 JHUFHYHOCVNYCM-NHLUXJBNSA-N 304.459 4.413 50 40 DIGB CCC(C)(C)OOC(C)(C)C#C[C@@]1(O)C[C@@H]2CC[C@@]1(C)C2(C)C 97955862 BGJBEAJSJIYELC-RYGJVYDSSA-N 322.489 4.483 50 40 DIGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2cccc(F)c2)c1 408772231 CVCJPZKUHSJHQO-DHDCSXOGSA-N 324.355 4.159 50 40 DIGB COc1cc(/C=C/C#N)ccc1OC(=O)c1ccc(Cl)cc1 1787427 QRALPBHRGJIBAX-NSCUHMNNSA-N 313.740 4.105 50 40 DIGB CCc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)s1 2769604 ZKQLEPUKOBVBAB-WDGDVPDHSA-N 310.422 4.095 50 40 DIGB CC(C)(C)c1ccc(C(=O)N/N=C/CCc2ccccc2)cc1 4113242 FPKAPIQKKIJPJS-RCCKNPSSSA-N 308.425 4.333 50 40 DIGB CC(C)=NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 4526024 QBPRFHYUADEPHW-UHFFFAOYSA-N 303.365 4.027 50 40 DIGB N#CC(C#N)=CNc1ccc(O)c(-c2nc3ccccc3s2)c1 15242882 SUAKFAKBVOISMM-UHFFFAOYSA-N 318.361 4.012 50 40 DIGB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)[C@H](C)Cl 223823712 VXLQVUKUGOGQRE-LBPRGKRZSA-N 307.821 4.241 50 40 DIGB Cc1ccc(-c2nn(-c3ccccc3)c(N)c2SC#N)cc1 408893981 PMYPTDZHGSMUHI-UHFFFAOYSA-N 306.394 4.003 50 40 DIGB CCOc1ccc(/C=C(/C#N)c2ccc(C#N)cc2)cc1OCC 409370848 BXJIFHSJMQHNIK-WQRHYEAKSA-N 318.376 4.420 50 40 DIGB CC(/C=C/c1ccccc1)=N/NC(=O)[C@@H](C)Nc1ccc(C)cc1 4619323 RQTBIRUIUVVLOE-FAJMSCJQSA-N 321.424 4.001 50 40 DIGB CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)c1cccc(Cl)c1)C2 103764647 GLJHYSMOWFNFEY-WQUXGXPASA-N 304.821 4.272 50 40 DIGB CC[C@@H](C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1 408601006 IJWKCYGOSVLZPI-OVGFGYAMSA-N 320.392 4.410 50 40 DIGB N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 28297230 ZNBXREPIMWQUTC-AUWJEWJLSA-N 309.712 4.184 50 40 DIGB O=C(N/N=C/c1ccc2c(c1)CCC2)c1cccc2ccccc12 1705475 BFXCYGHNHLRKCN-HYARGMPZSA-N 314.388 4.092 50 40 DIGB C/C(=N\NC(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 5289346 BAHWZZMMCIIEFC-VCHYOVAHSA-N 307.180 4.147 50 40 DIGB CC[C@H](Cl)C(=O)c1cc(OC(F)(F)F)ccc1Cl 575361465 HNFDUJOKLLIYSF-QMMMGPOBSA-N 301.091 4.439 50 40 DIGB C/C(=N\NC(=O)CNc1cccc(C)c1)c1ccc(C(C)C)cc1 221147 JYWHNVCTMTULQA-CJLVFECKSA-N 323.440 4.071 50 40 DIGB O=C(Cl)/C=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 8729546 CIECIWAYYJPSTE-ZZXKWVIFSA-N 312.108 4.287 50 40 DIGB C/C(=N/NC(=O)c1csc(C(C)C)c1)[C@H]1C[C@@H]2CC[C@@H]1C2 101156308 JHUFHYHOCVNYCM-ZXHYLPQUSA-N 304.459 4.413 50 40 DIGB N#CC(C#N)=Cc1cc(Cl)ccc1OCc1ccc(F)cc1 6221545 OYTCKTZQTYHJDP-UHFFFAOYSA-N 312.731 4.489 50 40 DIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)s2)cc1 59335815 TXEWJACMUHTTRU-FLIBITNWSA-N 302.786 4.256 50 40 DIGB O=C(CCc1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1 5946841 IGUIRNHXINDPSP-YBFXNURJSA-N 321.207 4.076 50 40 DIGB CCOc1cc(C=C(C#N)C#N)ccc1OCc1ccccc1F 40007487 PVSURSPFGSGARK-UHFFFAOYSA-N 322.339 4.234 50 40 DIGB COC(=O)c1cc(Cl)ccc1C(=O)[C@H](Cl)c1ccccc1 575361700 HMIDSROEGRQNRJ-CQSZACIVSA-N 323.175 4.289 50 40 DIGB O=C(Cl)Oc1ccc(C(F)(F)F)cc1Br 2362803599 OKAIVQAWEYZTCZ-UHFFFAOYSA-N 303.461 4.206 50 40 DIGB CSc1ccc(/C=N/NC(=O)c2ccc(C(C)C)cc2)cc1 370563 CXJWZBYVERYEFH-XDHOZWIPSA-N 312.438 4.296 50 40 DIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1 16410135 FBDHLDFTJRZCQE-GHRIWEEISA-N 318.376 4.106 50 40 DIGB N#C/C(=C/c1ccc2ccccc2c1)c1nnc2n1CCCCC2 48362668 BDTVKELJWCGPAN-AQTBWJFISA-N 314.392 4.222 50 40 DIGB BrCCCc1cccc(CCCBr)c1 77874781 MVJDECNMMQGXKW-UHFFFAOYSA-N 320.068 4.342 50 40 DIGB CCCSC1=C(C#N)[C@@H](c2ccc(C(C)C)cc2)CC(=O)N1 5297347 UGZMXOONDOYBJI-OAHLLOKOSA-N 314.454 4.292 50 40 DIGB O=C(NN=C(C1CC1)C1CC1)C(c1ccccc1)c1ccccc1 587937 UFMYCXHCOFRKAP-UHFFFAOYSA-N 318.420 4.111 50 40 DIGB CCCCCCc1ccc(/C(C)=N/NC(=O)c2ccncc2)cc1 4387838 ZGVCUYAZHRVHFB-CJLVFECKSA-N 323.440 4.358 50 40 DIGB CCc1ccc(-c2nc3ccc(NC(=O)CCl)cc3o2)cc1 216856505 BAFNESYJAXXISH-UHFFFAOYSA-N 314.772 4.235 50 40 DIGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)Sc1nc2ccccc2[nH]1 408599074 OIUFYBKVDGAFSH-UKTHLTGXSA-N 322.349 4.128 50 40 DIGB N#C/C(=C\c1ccc(Br)o1)c1ccc([N+](=O)[O-])cc1 495919 UFKZIKCKALDAER-JXMROGBWSA-N 319.114 4.014 50 40 DIGB COc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)c(C)cc1C 7164570 CPGOHDXIYGGYIM-GZTJUZNOSA-N 320.392 4.166 50 40 DIGB N#C/C(=C\c1ccc(F)cc1)C(=O)c1c[nH]c2cc(F)ccc12 40139946 VILUVTYPCZXSIH-KPKJPENVSA-N 308.287 4.236 50 40 DIGB Cc1ccc(NC(=O)/C(C#N)=C\c2c(C)cc(C)cc2C)cc1 6029993 GQUMZRKWUJPULF-BOPFTXTBSA-N 304.393 4.466 50 40 DIGB Cc1ccc(OCC(=O)N/N=C2/CCCC[C@H]2C)c(C(C)C)c1 35362834 ICUDBTIYFRPVPS-JXLCAQNNSA-N 316.445 4.180 50 40 DIGB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](Cl)CCl 103527169 WUKSEPWXPNRVEU-UWTATZPHSA-N 316.978 4.301 50 40 DIGB CCC(C)(C)C1CCC(=NNC(=O)c2ccccc2O)CC1 4965567 CEWVXJRSJBWLDE-UHFFFAOYSA-N 302.418 4.104 50 40 DIGB Cc1cc2nc(/C(C#N)=C/c3cccc([N+](=O)[O-])c3)[nH]c2cc1C 6281613 UANFBXQORSAOPL-RIYZIHGNSA-N 318.336 4.152 50 40 DIGB O=C(N/N=C/[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(Cl)cc1Cl 4084995 IHWVROKCASYHCP-OZHNUFBCSA-N 311.212 4.145 50 40 DIGB COc1cccc(-c2csc(/C(C#N)=C/c3ccco3)n2)c1 8664704 MHNSHLAYZAPPSN-UKTHLTGXSA-N 308.362 4.476 50 40 DIGB CC(C)OC(=O)/C(C#N)=C\c1ccc(-c2ccccc2Cl)o1 5690046 REUQPFHXGISZIQ-XFXZXTDPSA-N 315.756 4.459 50 40 DIGB CCC/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 13476424 KFKMLSMRHRNXER-AVQLDBEESA-N 306.409 4.111 50 40 DIGB ClC1=C(Cl)[C@@]2(Cl)C[C@H](Cl)[C@H]1C2(Cl)Cl 104125626 LNXRPBYDAMRYDD-VPGXFDHMSA-N 300.827 4.468 50 40 DIGB O=C(Cl)c1ccc(-c2cc3ccccc3oc2=O)cc1Cl 218726298 ICVXLXDJVLNXGO-UHFFFAOYSA-N 319.143 4.492 50 40 DIGB C/C(=N\NC(=O)Cc1ccc(C(C)(C)C)cc1)c1ccc(C)cc1 408567241 KZPUQMDIIWDLOL-CJLVFECKSA-N 322.452 4.375 50 40 DIGB C#CCOc1ccc(/C=C(/C#N)c2cccc(F)c2)cc1OCC 409391108 HEPZILNUVGXVSH-BOPFTXTBSA-N 321.351 4.301 50 40 DIGB Cc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)o1 566590 HFVLTSCPSCJGOE-RGVLZGJSSA-N 318.332 4.251 50 40 DIGB N#CC1=C(N)Oc2ccccc2[C@H]1c1ccc(Cl)cc1Cl 7516565 MHYFAKZZUJVORC-OAHLLOKOSA-N 317.175 4.212 50 40 DIGB CC[C@@H](CC(=O)N/N=C/C=C/c1ccccc1)c1ccccc1 9191454 BUMBDKFPDSPTAK-MVYKATPASA-N 306.409 4.386 50 40 DIGB N#C/C(=C/c1ccc(OC(F)F)cc1)c1nc2ccccc2[nH]1 35212615 DMVLDPVEMACWOC-XFXZXTDPSA-N 311.291 4.228 50 40 DIGB Cc1cc(C)c(OCC(=O)NN=C2CCCCCCC2)c(C)c1 542749 LCCKNNBOMPWJKF-UHFFFAOYSA-N 316.445 4.207 50 40 DIGB C#CCOc1ccc(/C=C(/C#N)c2ccccc2F)cc1OCC 5980249 BYMSEDAHIJJYIG-VBKFSLOCSA-N 321.351 4.301 50 40 DIGB N#C/C(=C\c1cccc(C#N)c1)c1nc2ccccc2n1C(F)F 23612699 TWTUWHFSSRNUKJ-NTEUORMPSA-N 320.302 4.367 50 40 DIGB Cc1ccc2ccccc2c1C[N+](C)(C)CCBr 28141 ODSGREWTUDIVDV-UHFFFAOYSA-N 307.255 4.120 50 40 DIGB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NN=C1CCCCCC1 33378 NUVZWTSQSAGFFD-CYBMUJFWSA-N 322.836 4.242 50 40 DIGB CCOc1ccc(/C(C=O)=C(\Cl)c2ccc(OC)cc2)cc1 1617201 BCYMNMSQJIBWRH-ZCXUNETKSA-N 316.784 4.400 50 40 DIGB CC(/C=N/NC(=O)Cc1ccc(Cl)cc1)=C\c1ccccc1 4724596 FSMICHSATWHTRG-NKSMKPMTSA-N 312.800 4.088 50 40 DIGB Cc1cccc(NC(=O)/C(C#N)=C\c2c(C)cc(C)cc2C)c1 211847761 LUMYVIBEHKMHCC-BOPFTXTBSA-N 304.393 4.466 50 40 DIGB Fc1c(CBr)ccc(Br)c1Cl 575675645 LIQFLOWKEMRBPJ-UHFFFAOYSA-N 302.368 4.137 50 40 DIGB N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 1450922 UVSYNAGPJCPNMK-XYOKQWHBSA-N 323.223 4.349 50 40 DIGB O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 5902509 CKSNWCQXUFVLTK-HYARGMPZSA-N 318.351 4.257 50 40 DIGB Cc1cc(C)c2oc(-c3cccc(NC(=O)CCl)c3)nc2c1 216857354 FIVUDINFLWKFRQ-UHFFFAOYSA-N 314.772 4.289 50 40 DIGB O=C1[C@@H](Br)CCC1(c1ccccc1)c1ccccc1 1564882 IWZWXOGYGGMGMS-HNNXBMFYSA-N 315.210 4.099 50 40 DIGB C[C@H](/C=N/NC(=O)c1cccc2ccccc12)c1ccccc1 5528666 PZESBLQMBDDPLO-HFITWMCCSA-N 302.377 4.359 50 40 DIGB CCCC/C(C)=N/NC(=O)CSCc1ccc(Cl)cc1 4714656 LOCCVBDNBCCXGQ-SFQUDFHCSA-N 312.866 4.256 50 40 DIGB C#CCn1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c2ccccc21 107540861 LSHOHCYCXMKAPV-NTCAYCPXSA-N 322.371 4.215 50 40 DIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(C#N)cc1 111677294 ZQZXTEWJFLRYTE-DHDCSXOGSA-N 321.767 4.066 50 40 DIGB O=C(NNc1ccnc2cc(Cl)ccc12)Nc1ccccc1 8428413 OFWQWWQINODJRX-UHFFFAOYSA-N 312.760 4.037 50 40 DIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1 15220070 RNXASWJVINKNIG-ATVHPVEESA-N 320.392 4.248 50 40 DIGB CC1(C)[C@H](CBr)CC[C@@]1(C)C(=O)Nc1ccccc1 3845954 LOPKFFUAMXKYCR-LRDDRELGSA-N 324.262 4.463 50 40 DIGB biogenic C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=C(C=O)C[C@@]43C)[C@@H]1CC[C@@H]2O 4758338 QKKCZNAIRYQRKP-WDCLZLQXSA-N 302.458 4.125 50 40 DIGB biogenic,in-vitro COc1cc(C)c(/C=N/NC(=O)c2ccc(C)cc2)cc1C(C)C 59152181 WEZRMWIGLMJAHF-CIAFOILYSA-N 324.424 4.199 50 40 DIGB C#CCOc1ccc(OC)cc1/C=C(/C#N)c1cccc(Cl)c1 408598566 DMZQUCYIWBOLBW-YBEGLDIGSA-N 323.779 4.425 50 40 DIGB C/C(=N\NC(=O)[C@@H]1[C@@H]2CCCC[C@@]21C)c1ccc(Cl)cc1 409046135 IXVUKAMHZKRWBV-OYXWMQGTSA-N 304.821 4.007 50 40 DIGB CCCC/C(=N\NC(=O)COc1ccccc1C)c1ccccc1 4599279 KMHGAOZPFONHHO-DYTRJAOYSA-N 324.424 4.085 50 40 DIGB CC(C)=NNC(=O)c1ccc(CSCc2ccccc2)cc1 408780964 OSTVFBLXCPWTKN-UHFFFAOYSA-N 312.438 4.246 50 40 DIGB C/C(=N\NC(=O)c1cccs1)c1ccc(Cl)c(Cl)c1 232533 OSVJKGRLIGDRIP-LZYBPNLTSA-N 313.209 4.209 50 40 DIGB C/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccccc2)cc1Cl 100420320 OVZOHAXVUVNPQF-KAMYIIQDSA-N 312.756 4.301 50 40 DIGB N#C/C(=C\c1ccc(Br)s1)C(=O)c1ccccc1 7061296 AQVOHJYXYRUSIT-DHZHZOJOSA-N 318.195 4.300 50 40 DIGB C/C(=N/NC(=O)c1ccc(Cl)cc1Cl)c1ccc(C)cc1 12403735 GMDSMMLFEKAZCD-ODLFYWEKSA-N 321.207 4.456 50 40 DIGB BrCC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 100009123 SKQVGBXLHPBGHY-NKVNRFPTSA-N 308.057 4.115 50 40 DIGB CCOP(=O)(OCC)/C(C#N)=C/c1ccnc2ccccc12 13214989 YFMPUXFPBBGIPR-SDNWHVSQSA-N 316.297 4.365 50 40 DIGB O=C(CCl)N(Cc1cccnc1)c1cccc2ccccc12 199758281 BXYZCUXEBUWMSS-UHFFFAOYSA-N 310.784 4.007 50 40 DIGB C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1ccc(C)c(C)c1 216047706 JIRHBRVDCQGPLZ-HEHNFIMWSA-N 308.425 4.003 50 40 DIGB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CCCBr 85210580 QAHZZDYOFYUOGS-FRRDWIJNSA-N 305.256 4.166 50 40 DIGB N#CC1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1ccccc1F 52194 RUATVEOWTATRNS-GOSISDBHSA-N 316.335 4.197 50 40 DIGB CCO[P@@](=O)(/C(C#N)=C(/O)c1ccccc1)c1ccccc1 100250368 ASJQFCMPZBPMSG-NBRGKURFSA-N 313.293 4.077 50 40 DIGB COc1cc2c(cc1/C=C(\C#N)c1ccc(Cl)cc1)OCO2 794933 OCXFBOPXNCBVFS-AWNIVKPZSA-N 313.740 4.141 50 40 DIGB biogenic,in-vitro C/C(=N\NC(=O)CSc1ccc(Cl)cc1)c1cccs1 7993697 OGONKRGSIXZCHE-MHWRWJLKSA-N 324.858 4.034 50 40 DIGB Cc1cc(Br)cc(C)c1NC(=O)CCCCl 20030895 PXQWBMWLLQMNKB-UHFFFAOYSA-N 304.615 4.023 50 40 DIGB in-vitro C[C@H](Cl)C(=O)Nc1nc2c(Cl)cc(Cl)cc2s1 20131936 IEHURCVYEWKVJW-BYPYZUCNSA-N 309.605 4.169 50 40 DIGB O=C(N/N=C/c1cccs1)C(c1ccccc1)c1ccccc1 46147 DXHDBJFJYUDJRO-XSFVSMFZSA-N 320.417 4.030 50 40 DIGB Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N/N=C/c1ccccc1 3167103 XXGMDACFEAIWFZ-WMRWHDLOSA-N 324.424 4.036 50 40 DIGB COc1ccc(NC(=O)[C@H](Cl)c2ccccc2)cc1Cl 3276793 BKKDMADLNRAVGL-CQSZACIVSA-N 310.180 4.267 50 40 DIGB N#C/C=C(/Nc1ccc2c(c1)CCC2)c1cccc([N+](=O)[O-])c1 5688434 VVKDVVNYXLWCQJ-GIJQJNRQSA-N 305.337 4.060 50 40 DIGB O=[P@](Cl)(NC12CC3CC(CC(C3)C1)C2)c1ccccc1 104145489 ARBLCPRBMQEYII-PWBGPBFBSA-N 309.777 4.302 50 40 DIGB N#CC(Nc1ccc2ccccc2c1)=C1C(=O)c2ccccc2C1=O 99545 CLJQXUYSADVQDB-UHFFFAOYSA-N 324.339 4.109 50 40 DIGB Cc1ccc(Sc2ccc(/C=C(\C#N)C(N)=S)cc2)cc1 2881757 MAXYVXQTHGBNEU-GXDHUFHOSA-N 310.447 4.339 50 40 DIGB C/C(CCc1ccccc1)=N\NC(=O)c1ccccc1Cl 7893909 HEWHAFWPHACEKG-CPNJWEJPSA-N 300.789 4.079 50 40 DIGB CC[C@@H](Nc1ccc(Cl)cc1)C(=O)N/N=C1\CCCC[C@@H]1C 15930902 QHPKZVZVZFRKMA-FUQTYTRLSA-N 321.852 4.213 50 40 DIGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CC3)c2C)c1 24100297 PXQGEMOCGCCWTO-GZTJUZNOSA-N 319.408 4.294 50 40 DIGB N#C/C(=C/c1cccn1-c1ccccc1)C(=O)Nc1ccccc1 33329027 YSWKAANNYQKCMF-PEZBUJJGSA-N 313.360 4.023 50 40 DIGB O=C(CCl)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 216854571 LRKHEDXSNMYTOF-UHFFFAOYSA-N 321.163 4.326 50 40 DIGB Cc1cccc(-c2nc3cc(NC(=O)CCl)cc(C)c3o2)c1 216854786 CTEGTSPGSBLLRH-UHFFFAOYSA-N 314.772 4.289 50 40 DIGB N#CC1=C(c2ccc(Cl)cc2)Sc2ccccc2NC1=O 265295 DXMZWMOURUXEKN-UHFFFAOYSA-N 312.781 4.319 50 40 DIGB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)CCCCl 6243024 RIDGNVYLKSXQDU-LLVKDONJSA-N 312.866 4.032 50 40 DIGB N#CC(C#N)=Cc1ccc(Nc2ccc(Br)cc2)o1 495113 BJZGLEJUDNYETQ-UHFFFAOYSA-N 314.142 4.216 50 40 DIGB CC(C)c1ccc(C[C@@H](C)/C=N/NC(=O)c2ccccc2O)cc1 4091398 WATPREARXLCMAM-NWGMWSOJSA-N 324.424 4.110 50 40 DIGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc([C@H]2C[C@H]2C)o1 4888000 HYBPRGIWENOKQC-VRCKCISPSA-N 306.365 4.257 50 40 DIGB O=C(Nc1c(Cl)cc(Cl)cc1Cl)C(Cl)Cl 5943624 RQQVDGNHBIJQMY-UHFFFAOYSA-N 307.391 4.389 50 40 DIGB COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)Cl 39712967 JFIWHJKPNGEANU-UHFFFAOYSA-N 306.589 4.112 50 40 DIGB CC(C)(C)OC(=O)n1ccc2ccc(CBr)cc21 89157473 PFUSKZCXUUIMNV-UHFFFAOYSA-N 310.191 4.319 50 40 DIGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(F)c3)o2)cc1 409020631 RIMSCIXOJWPPMI-CIAFOILYSA-N 322.339 4.158 50 40 DIGB CC[C@@H](C)/C(C)=N/NC(=O)c1ccc(COc2ccccc2)cc1 4979345 QZKHPSVNXTZPQX-JJTVEENBSA-N 324.424 4.417 50 40 DIGB O=C(CCBr)Oc1ccc2oc3c(c2c1)CCCC3 5603358 MGNADRDWJSPDOW-UHFFFAOYSA-N 323.186 4.002 50 40 DIGB N#Cc1ccc(NC(=O)NNc2ccc(Cl)cc2Cl)cc1 12948101 BNQNITDPZVRORY-UHFFFAOYSA-N 321.167 4.014 50 40 DIGB O=C(CBr)O[C@H]1CCCC[C@@H]1C1CCCCC1 1614652 DIYHVSKBLWKBBP-OLZOCXBDSA-N 303.240 4.064 50 40 DIGB CN(CCCl)C[C@H](Cl)c1cccc(C(F)(F)F)c1 1690693 ADQZFXROBJVLPP-NSHDSACASA-N 300.151 4.156 50 40 DIGB CCCCCCCCCC(=O)N/N=C/c1ccc2c(c1)OCO2 2790517 YEPXUBPNDISGCN-CPNJWEJPSA-N 318.417 4.006 50 40 DIGB CN(Cc1ccccc1)C1=CC2=CC(=C(C#N)C#N)CC[C@H]2CC1 58158353 ZLZGIHBGGSMCLX-KRWDZBQOSA-N 315.420 4.476 50 40 DIGB CC(C)(C)c1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1 408851756 NMZBYCBBVSSLJS-BKUYFWCQSA-N 320.392 4.494 50 40 DIGB Cn1c(C=C(C#N)C#N)ccc1-c1cc(Cl)ccc1Cl 544261 MTGCNSOAIHTBCC-UHFFFAOYSA-N 302.164 4.429 50 40 DIGB Cc1cc(Cl)ccc1OCCCC(=O)NN=C1CCCCC1 3899060 GSPPYDXGVPXJDD-UHFFFAOYSA-N 322.836 4.244 50 40 DIGB N#CSc1ccc(NC(=O)c2csc3c2CCCC3)cc1 5014336 RTJRFNBMTLSVGY-UHFFFAOYSA-N 314.435 4.452 50 40 DIGB CC(C)(CCl)C(=O)c1cccc(OC(F)(F)C(F)F)c1 575360783 MTMNPNFAPQAEPM-UHFFFAOYSA-N 312.690 4.371 50 40 DIGB Cc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)s1 5618602 NLXDKIMTYSBLOA-FRKPEAEDSA-N 313.209 4.127 50 40 DIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1 15219376 GZBTYIFEJFFZHS-ATVHPVEESA-N 320.392 4.248 50 40 DIGB Cc1cc(N2CCOCC2)ccc1/C=C(/C#N)c1ccc(F)cc1 409073207 YDNZJASKOXKSOX-AQTBWJFISA-N 322.383 4.035 50 40 DIGB COc1ccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1 5070392 FAFDZPHCXLSLDN-RVDMUPIBSA-N 316.360 4.275 50 40 DIGB Cc1csc(/C(C#N)=C/c2cc(Br)cs2)n1 6925355 LPMNJENUYUZGNO-KRXBUXKQSA-N 311.229 4.340 50 40 DIGB N#C/C(=C\c1ccccc1[N+](=O)[O-])c1nc2ccccc2s1 15932389 BWXNFWQWMRNUBQ-FMIVXFBMSA-N 307.334 4.269 50 40 DIGB COc1cc(C(=O)Cl)cc(Cl)c1OCc1ccccc1 72209144 RIFKLAVKEVKSMT-UHFFFAOYSA-N 311.164 4.307 50 40 DIGB Cc1ccc(/C=C/C(=O)c2ccc(O)c(CCCl)c2)s1 12948750 ZGFHXJIIDNJIOA-FNORWQNLSA-N 306.814 4.440 50 40 DIGB CCCCOc1ccc(C2C(C#N)=C(C)NC(C)=C2C#N)cc1 25314980 NLVSTPWZZXHAMF-UHFFFAOYSA-N 307.397 4.147 50 40 DIGB COc1ccc([C@H](Cc2ccc(Cl)cc2)NCCCl)cc1 1665265 KJEDMHDTPPRPEX-KRWDZBQOSA-N 324.251 4.461 50 40 DIGB COc1ccc(Br)cc1-c1nc(CCl)cs1 2656411 KTNHWPLWDREXMZ-UHFFFAOYSA-N 318.623 4.320 50 40 DIGB in-vitro CCC(C)(C)OOC(C)(C)C#C[C@@]1(O)C[C@H]2CC[C@@]1(C)C2(C)C 101265962 BGJBEAJSJIYELC-UIAACRFSSA-N 322.489 4.483 50 40 DIGB O=C(CCl)N(Cc1ccccn1)c1ccc2ccccc2c1 199758331 BYFGMTJESOJSIV-UHFFFAOYSA-N 310.784 4.007 50 40 DIGB N#C/C(=C\c1ccccc1Br)C(=O)c1ccccc1 5810970 IFOCECLBVDYQHT-GXDHUFHOSA-N 312.166 4.239 50 40 DIGB CCCCCCCCC(=O)N/N=C/c1ccccc1OCC 2790464 KSJSJSNYHPPORL-XDJHFCHBSA-N 304.434 4.286 50 40 DIGB N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1F 34852322 NWLBWACBADABIO-XFFZJAGNSA-N 302.692 4.451 50 40 DIGB COc1cccc(/C=C(/C#N)c2nc(C)cs2)c1OC(F)F 96843863 VZTWQRDTYYMEIR-WDZFZDKYSA-N 322.336 4.126 50 40 DIGB CC(C)(C)c1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1 4150431 XDCNOOHQMCGCKI-UDWIEESQSA-N 314.816 4.401 50 40 DIGB CSc1ccc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1 59159234 SFQPAAZDCRWBAS-VCHYOVAHSA-N 318.829 4.134 50 40 DIGB CCO[Si](CCCCCCCC[C@H]1CO1)(OCC)OCC 196714824 BQOPVYVBEXOUFE-INIZCTEOSA-N 318.530 4.164 50 40 DIGB Cc1cc(C(=O)CCl)c(C)n1-c1ccc(F)c(Cl)c1 90188 XHERGMMKGRYSNC-UHFFFAOYSA-N 300.160 4.308 50 40 DIGB COc1ccc(C(=O)[C@@H](Br)c2ccc(C)cc2)cc1 40163764 DLFYSIDXSYPCMV-HNNXBMFYSA-N 319.198 4.323 50 40 DIGB Cc1ccc(C2=C(C#N)C(=O)N[C@@](C)(c3ccc(C)cc3)C2)cc1 5543800 LOOLUTAGRGNFEY-OAQYLSRUSA-N 316.404 4.016 50 40 DIGB CCCOc1ccc(C)cc1CN(CCCl)CCCl 64560258 JXNCUILVIWSTOD-UHFFFAOYSA-N 304.261 4.063 50 40 DIGB N#CC(C#N)=C1CCCC[C@@H]1S[C@H]1CCCCC1=C(C#N)C#N 2207925 KIWSQUYECPKCIL-ROUUACIJSA-N 322.437 4.292 50 40 DIGB O=c1[nH]c(CCl)nc2scc(-c3ccc(Cl)cc3)c12 3887251 IFNAAJQQYOHYKB-UHFFFAOYSA-N 311.193 4.044 50 40 DIGB O=C(CSCc1ccccc1)NN=C1CCCCCCC1 408719278 BDXKLSVFJWGXDW-UHFFFAOYSA-N 304.459 4.136 50 40 DIGB Cc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1 485394 LKGOJIDGYLYWHU-GIJQJNRQSA-N 307.180 4.066 50 40 DIGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)OCC(C)C)o2)cc1 2669730 MHCMXUJCLCHUPD-MHWRWJLKSA-N 309.365 4.361 50 40 DIGB C[C@@H]1N(C)c2ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc2C1(C)C 4863425 VLRUBHFXZYCXJI-LERPTODRSA-N 310.441 4.325 50 40 DIGB C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)Cc2ccc(Cl)cc2)C1 12137203 ZUTHUVRELYXDMY-WATITHJCSA-N 316.832 4.287 50 40 DIGB CCOc1ccc(/C=C(\C#N)C(=O)c2ccc(C)cc2)cc1OC 9668275 ZZZWOCFEYVLDJN-GZTJUZNOSA-N 321.376 4.192 50 40 DIGB COc1ccc(NC(=O)/C(C#N)=C\C(C)=C\c2ccccc2)cc1 57547302 GXFSLTFDXKEUTA-GXDIDPINSA-N 318.376 4.187 50 40 DIGB Cc1ccc(/C=C/C(=O)c2ccc(O)c(CCCl)c2)cc1 12946979 PJMURCLLLCDNGV-SOFGYWHQSA-N 300.785 4.378 50 40 DIGB CC(C)c1ccc(NC(C#N)=C2C(=O)c3ccccc3C2=O)cc1 148184 FZAGOAZADHQGBQ-UHFFFAOYSA-N 316.360 4.079 50 40 DIGB CCOc1ccc(/C=C(\C#N)c2ccc(OC)cc2)cc1OC 408583200 SHUBHAKDNNCZNA-LFIBNONCSA-N 309.365 4.167 50 40 DIGB Cc1cc2sc(NC(=O)CCCCl)nc2cc1Cl 6826346 ZHLRNUSDSMLVRB-UHFFFAOYSA-N 303.214 4.216 50 40 DIGB Cc1csc(/C(C#N)=C/c2cc([N+](=O)[O-])ccc2Cl)n1 8207355 VYMMPIFKUQXHMF-ONNFQVAWSA-N 305.746 4.077 50 40 DIGB CCCCCCCCCC/C(C)=N/NC(=O)c1ccc[n+](C)c1 104171492 IFRCVEASODADKT-LVZFUZTISA-O 318.485 4.148 50 40 DIGB Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(N(C)C)cc3)nc2c1 4738900 HPZZBTZWXSLHBM-PTNGSMBKSA-N 302.381 4.002 50 40 DIGB N#CC(C#N)=Cc1cn(Cc2ccc(F)cc2)c2ccccc12 113832274 KDXWOKQTAHIJMK-UHFFFAOYSA-N 301.324 4.259 50 40 DIGB COc1ccc(/C=C/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1 408570840 ZDVNKBIPPXBYQW-YFBKQRKCSA-N 319.339 4.331 50 40 DIGB CC(C)(C)C1=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1 409371410 IOBCQWXHMDWHDH-GFCCVEGCSA-N 324.211 4.171 50 40 DIGB N#C/C(=C\c1cc(Cl)ccc1O)c1ccc([N+](=O)[O-])cc1 437103 UHOYMSRRSPQHPF-KPKJPENVSA-N 300.701 4.018 50 40 DIGB C/C(=N\NC(=O)c1ccc(C)cc1Cl)c1ccc(C)cc1 13842615 NMFZDKYKWBKFMC-CPNJWEJPSA-N 300.789 4.111 50 40 DIGB CCCc1cc(C(=O)N/N=C/c2cccs2)c2ccccc2n1 2783202 IHLRTMPLNQJFDG-XDHOZWIPSA-N 323.421 4.013 50 40 DIGB C/C(=N/NC(=O)c1csc(C(C)C)c1)[C@@H]1C[C@H]2CC[C@@H]1C2 17031130 JHUFHYHOCVNYCM-YPFGEGOLSA-N 304.459 4.413 50 40 DIGB Cc1cccc(O[C@@H](C)C(=O)N/N=C\c2ccc(C(C)C)cc2)c1 31841468 XEVMSTDIAJDVCJ-JHDSZEHQSA-N 324.424 4.036 50 40 DIGB O=C(NN(Cc1ccccc1)Cc1ccccc1)c1ccccc1 1675747 PHJSSXNJZBVIAR-UHFFFAOYSA-N 316.404 4.034 50 40 DIGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/C2CCCCC2)c1 6203886 NHKQFVCBOSSXFL-UDWIEESQSA-N 316.445 4.180 50 40 DIGB CC(C)(C)c1ccc(-c2csc(NC=C(C#N)C#N)n2)cc1 6881595 NHQIRMQZFVXRTR-UHFFFAOYSA-N 308.410 4.451 50 40 DIGB C[C@H](NC(=O)/C(C#N)=C\c1cccc(Cl)c1)c1ccccc1 59133148 ALAKOPNVILNLCZ-ATTDUZETSA-N 310.784 4.124 50 40 DIGB O=C(N/N=C1\CCCc2ccccc21)c1cccc2ccccc12 5704976 UYLPWAHTWWNNRY-LSDHQDQOSA-N 314.388 4.310 50 40 DIGB C/C(N)=C(\C#N)c1nc(-c2cc3cc(Cl)ccc3o2)cs1 585079749 DSIIZKOHXADDOX-FLIBITNWSA-N 315.785 4.423 50 40 DIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccsc2)cc1Cl 408982992 JKOYMYSXVPMBCM-SDQBBNPISA-N 302.786 4.256 50 40 DIGB CCO[Si](CCCCCCCC[C@@H]1CO1)(OCC)OCC 196714818 BQOPVYVBEXOUFE-MRXNPFEDSA-N 318.530 4.164 50 40 DIGB O=C(N/N=C/c1ccsc1)c1ccc(-c2ccccc2)cc1 5685182 RVSCUEBTIDDFIY-XDHOZWIPSA-N 306.390 4.179 50 40 DIGB C/C(=N\NC(=O)c1cccc(F)c1)c1ccc2ccccc2c1 12362515 ZLVDQSBESWQBEX-FYJGNVAPSA-N 306.340 4.133 50 40 DIGB CC(/C=C/c1ccccc1)=N\NC(=O)[C@@H]1C[C@]1(C)c1ccccc1 13471076 CCYDCULYFMGQFW-RXCGDDKISA-N 318.420 4.170 50 40 DIGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)c1 408780358 XSECRYFLKWHIOW-GDNBJRDFSA-N 324.355 4.159 50 40 DIGB N#CC1=C(N)Oc2c(sc3ccccc23)[C@@H]1c1ccccc1 227521 IIKARQBYPBHBLF-OAHLLOKOSA-N 304.374 4.119 50 40 DIGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cccc2ccccc12 7157970 NUPPNTRVGDDCKI-AUENUKFOSA-N 318.420 4.442 50 40 DIGB COc1cc2c(cc1/C=C(\C#N)c1cccc(Cl)c1)OCO2 798105 ZUTPFIYDRCLEJT-WLRTZDKTSA-N 313.740 4.141 50 40 DIGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(Cl)s1)c1ccccc1 6183077 OPCLYXJRDHQHMJ-KWJWQAOWSA-N 316.813 4.186 50 40 DIGB Cc1cc(C)c(C(=O)/C=C\N(CCCl)CCCl)cc1C 100304864 QLTPHMHICKVYAP-DAXSKMNVSA-N 314.256 4.088 50 40 DIGB CC(C)(C)C(=O)/C(C#N)=C\Nc1ccc(OC(F)(F)F)cc1 100937792 SKSAQTDLSXTTFI-KTKRTIGZSA-N 312.291 4.020 50 40 DIGB C=CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1 2026601 NCURELGPDAHZTQ-JLHYYAGUSA-N 313.740 4.236 50 40 DIGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Cl)s2)c1 33328699 JRKHEZOOLOFCIB-FLIBITNWSA-N 302.786 4.256 50 40 DIGB Cc1cc(C)c2c(c1)Nc1ccccc1P2c1ccccc1 73292599 MJTPRORYSSCIPI-UHFFFAOYSA-N 303.345 4.119 50 40 DIGB CCC1CCC(=NNC(=O)Cc2cccc3ccccc23)CC1 5792094 LIARGVOPEIIMCV-UHFFFAOYSA-N 308.425 4.455 50 40 DIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2sccc2C)c1 408746666 VEHNQAUJMFZHEI-LCYFTJDESA-N 312.394 4.001 50 40 DIGB COC(=O)c1cc(-c2ccccc2)sc1C(=O)CCCl 3267317 UOLXHVOZSZNIRT-UHFFFAOYSA-N 308.786 4.013 50 40 DIGB CCOc1cccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c1 40139661 DJCNHQMLZFZPDG-XNTDXEJSSA-N 316.360 4.356 50 40 DIGB O=C(Cl)c1cccc(OC(=O)c2cccc3ccccc23)c1 218717993 QEVCMTBENWNIAK-UHFFFAOYSA-N 310.736 4.438 50 40 DIGB C/C=C\C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104111879 KBHCSHFIGXCTGA-IHWYPQMZSA-N 318.400 4.289 50 40 DIGB CO[C@@H](c1ccccc1)[C@H](Br)C(=O)c1ccccc1 1744881 LZCOBRLMPXIBBA-ZBFHGGJFSA-N 319.198 4.021 50 40 DIGB O=C(CCCC[C@H]1CCSS1)NC[C@H]1C[C@@H]2C=C[C@H]1C2 107168096 BJUZESCPJTXVCS-BARDWOONSA-N 311.516 4.029 50 40 DIGB CCCCCC[C@@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21 6648843 JLXDLKHNOASLOV-CQSZACIVSA-N 322.412 4.217 50 40 DIGB Cc1cc(C)cc(NC(=O)N/N=C\c2ccc(Cl)s2)c1 408967877 VNEYEQSVYFGTAQ-PXNMLYILSA-N 307.806 4.174 50 40 DIGB CCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c1C 409064038 FWSJGLOEINAQLM-WQRHYEAKSA-N 321.424 4.287 50 40 DIGB COc1cc(N2CCCC2)ccc1/C=C(\C#N)c1ccccc1 809812 GCAOXRDOPVGNKN-QGOAFFKASA-N 304.393 4.360 50 40 DIGB CN(C(=O)CCCCl)c1ccccc1OCc1ccccc1 1657248 KRYQDNWKPKBDHM-UHFFFAOYSA-N 317.816 4.247 50 40 DIGB CC(C)[C@H](Br)C(=O)Nc1cccc2ccccc12 4031986 LFLVCYUIGBCYRC-AWEZNQCLSA-N 306.203 4.198 50 40 DIGB CS[C@H](C(=O)Nc1ccccc1)[C@H](Cl)c1ccc(F)cc1 5515291 TZNYNQVETZQGOU-CABCVRRESA-N 323.820 4.476 50 40 DIGB O=C(CCl)N(CC1CCC1)c1ccc(C(F)(F)F)cc1 199756827 NFOYZVPJMOJRCH-UHFFFAOYSA-N 305.727 4.077 50 40 DIGB CCOc1cccc(NC(=O)/C(C#N)=C/C=C/c2ccccc2)c1 408740331 FOHZDGOVFGJKDU-ANKJDYFYSA-N 318.376 4.187 50 40 DIGB C/C(=N\NC(=O)CCSc1ccc(C)cc1)c1cccs1 409113722 DXWJDYAYTLNJLM-GHRIWEEISA-N 318.467 4.079 50 40 DIGB CC(=O)N(c1cccc(Cl)c1)c1nc(CCl)cs1 3394225 ZKTDMKIJPOJOLD-UHFFFAOYSA-N 301.198 4.220 50 40 DIGB CCc1cc(Cl)cc2sc(NC(=O)[C@@H](C)Cl)nc12 20132009 UBHLUNYNVISMJA-ZCFIWIBFSA-N 303.214 4.078 50 40 DIGB Cc1cc2nc(/C(C#N)=C/c3ccccc3[N+](=O)[O-])[nH]c2cc1C 408544182 SNUDPYSBMNKGGH-NTEUORMPSA-N 318.336 4.152 50 40 DIGB ClC(Cl)c1nc(-c2ccccc2)nn1-c1ccccc1 3138968 JTYPYTBBTAXGSL-UHFFFAOYSA-N 304.180 4.411 50 40 DIGB Cn1c(C=C(C#N)C#N)ccc1-c1cc(Cl)cc(Cl)c1 67299961 LQFIOVIDRNSUTG-UHFFFAOYSA-N 302.164 4.429 50 40 DIGB C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)c2ccccc2Cl)C1 46438 QUGDAOYNZUANFU-NIGUIEARSA-N 302.805 4.358 50 40 DIGB CC1(C)OC(c2ccccc2)=C/C1=C(\C=O)C(=O)c1ccccc1 1586189 PRZNRGSRQWODSV-ZCXUNETKSA-N 318.372 4.215 50 40 DIGB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=C\C=O 13423839 KWRSKJPEMHHZAN-WLJXBXSASA-N 314.469 4.435 50 40 DIGB biogenic,in-vitro C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccc(C)c(C)c1 59922452 UYLBFQIRDKMLDA-XSFVSMFZSA-N 314.816 4.040 50 40 DIGB CC[C@H](C)Oc1ccccc1/C=N/NC(=O)Nc1ccccc1 408600732 FRVUQNHEEPNNOJ-ITRAFESCSA-N 311.385 4.020 50 40 DIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2F)cc1Cl 408989196 SKAIHISAALMRET-JYRVWZFOSA-N 314.747 4.333 50 40 DIGB C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)o1 13596389 WUUIXHOOCKICNO-XEGJVCIASA-N 310.328 4.088 50 40 DIGB CCC1(CC)Cc2ccccc2C(NC(=O)N2CCCC2)=C1C#N 15841480 UZNYYKCGXQKJNS-UHFFFAOYSA-N 323.440 4.089 50 40 DIGB FC(F)COc1cc(CBr)ccc1C(F)(F)F 642887123 OOGVMHQZMBBFNY-UHFFFAOYSA-N 319.067 4.244 50 40 DIGB CC1(C)C[C@](O)([C@H](Cl)c2ccccc2)C(=O)c2ccccc21 1744825 PZDCIRMYLDFAAT-APWZRJJASA-N 314.812 4.262 50 40 DIGB COc1ccc(/C(C)=N\NC(=O)c2cccc3ccccc23)cc1 34798604 NGRJBDYVDSOYAV-STZFKDTASA-N 318.376 4.002 50 40 DIGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(C)cc2)cc1 1319503 IMVNMEWDEWEJQJ-WMRWHDLOSA-N 324.424 4.038 50 40 DIGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1 5447348 RCYCHSHHWFYZJE-RVDMUPIBSA-N 301.305 4.207 50 40 DIGB CCc1ccc(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)cc1 6410816 QZSCIFDBTFCWGN-XNTDXEJSSA-N 310.784 4.448 50 40 DIGB CCOC(=O)/C(C#N)=C/c1cccc2ccc3ccccc3c12 1599952 GBDLXOLBTCIUMT-SFQUDFHCSA-N 301.345 4.463 50 40 DIGB CCOc1ccc(C(=O)[C@H](Br)c2ccccc2)cc1 4566217 GOOZBGBJARLEIS-OAHLLOKOSA-N 319.198 4.404 50 40 DIGB N#C/C(=C/c1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1 13646529 TULRHJPZXFYARJ-WQLSENKSSA-N 307.334 4.269 50 40 DIGB CSC(SC)=C(C#N)c1noc(-c2ccc(Cl)cc2)n1 67172685 LTWJUZWZYGNTHY-UHFFFAOYSA-N 323.830 4.308 50 40 DIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2sccc2C)cc1 572297 PJWPNYKQDYPSBG-JLHYYAGUSA-N 312.394 4.001 50 40 DIGB C[C@@H](Br)c1nc(-c2cccc(C(F)(F)F)c2)no1 95097270 FYXACDLOOUVXIX-ZCFIWIBFSA-N 321.096 4.211 50 40 DIGB CCO[C@H](O[Si](CC)(CC)CC)C(F)(F)Br 169806602 QNSYMTRYMKRKGT-SECBINFHSA-N 319.262 4.359 50 40 DIGB N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 3242939 WVSVIKNHGXNJME-OSICMAOHSA-N 316.320 4.091 50 40 DIGB N#C/C(=C\c1cccc(O)c1)C(=O)Nc1cccc2ccccc12 3570445 HQCXJXZBAYWLCF-LFIBNONCSA-N 314.344 4.091 50 40 DIGB CC(C)(C)c1ccc(CC(=O)N/N=C/C=C/c2ccccc2)cc1 408569263 ZWDXIBGSMCSJFL-AWFLEDEYSA-N 320.436 4.342 50 40 DIGB O=C(NN=C1CCCC1)[C@H]1CC1(c1ccccc1)c1ccccc1 349051 QTYHZBQOGGOHDX-LJQANCHMSA-N 318.420 4.039 50 40 DIGB Cc1cccc(C(=O)N/N=C\c2ccc(Cl)cc2Cl)c1 33294404 XOYUPCSHFWEWLL-NVMNQCDNSA-N 307.180 4.066 50 40 DIGB FS(F)(F)(F)(F)[C@H](Br)CBr 97949919 LZUQIBYDTPQHIK-REOHCLBHSA-N 313.911 4.401 50 40 DIGB O=C(N/N=C\c1ccccc1F)c1ccc(-c2ccccc2)cc1 15890376 SWUCTNXBUFYTRZ-HMAPJEAMSA-N 318.351 4.257 50 40 DIGB CC(C)COc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1 408543516 RNGINIZWNILFFH-WQRHYEAKSA-N 321.376 4.484 50 40 DIGB CC(C)(CCl)C(=O)c1ccc(OC(F)(F)C(F)F)cc1 575360889 KMFLSFBHNKMODH-UHFFFAOYSA-N 312.690 4.371 50 40 DIGB COc1cccc(C(=O)NN=C2CCC(C(C)(C)C)CC2)c1 5383605 FZAWYZKMYXKLFM-UHFFFAOYSA-N 302.418 4.017 50 40 DIGB Cc1ccc2c(c1)c(C(=O)[C@H](C)CBr)c(C)n2C 34925366 WWWXRPAUPDMJEM-SNVBAGLBSA-N 308.219 4.009 50 40 DIGB CC(C)(C)OC(=O)n1c(CBr)cc2ccccc21 39086396 CXLKGHGUQDOGFK-UHFFFAOYSA-N 310.191 4.319 50 40 DIGB O=C(CCl)N(Cc1cccnc1)c1ccc2ccccc2c1 199758346 DAWUFEXJVZCQMG-UHFFFAOYSA-N 310.784 4.007 50 40 DIGB C/C(=N\NC(=O)c1ccc(C)cc1Cl)c1ccc(Cl)cc1 13842622 DUKZMTKDLZNAPF-YBFXNURJSA-N 321.207 4.456 50 40 DIGB CC(C)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1 44022394 LMETYAQMNQMSFU-VBKFSLOCSA-N 306.365 4.019 50 40 DIGB N#C/C(=C\c1ccccc1OC(F)F)c1nc2ccccc2[nH]1 4811665 XPZCBJNNSXREGG-FMIVXFBMSA-N 311.291 4.228 50 40 DIGB C[C@@H](Cl)C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 13575143 GYOUKJGJXGFTIW-ANYFNZRUSA-N 319.813 4.210 50 40 DIGB CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1 59116667 MSIDUAKYYFLULQ-SAPNQHFASA-N 320.392 4.411 50 40 DIGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cccs1 59473530 RJYWPGGNKFKOPE-JSJZUPIVSA-N 324.858 4.032 50 40 DIGB C[C@H](Br)c1nc(-c2cccc(C(F)(F)F)c2)no1 95097269 FYXACDLOOUVXIX-LURJTMIESA-N 321.096 4.211 50 40 DIGB O=C(CCl)Nc1ccc2nc(-c3ccccc3Cl)oc2c1 216856640 HQIDKYXUVHMQDF-UHFFFAOYSA-N 321.163 4.326 50 40 DIGB COc1ccc(/C=C/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1 4739743 FAPWOEVKSQHOJZ-CYTILCLQSA-N 306.321 4.224 50 40 DIGB O=C(CCl)N(CC1CCCC1)c1ccccc1C(F)(F)F 228970373 SOZGTDZSVBOSRW-UHFFFAOYSA-N 319.754 4.467 50 40 DIGB N#C/C(=C/c1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 467935 MRWHOOBWXOMENM-LGMDPLHJSA-N 324.811 4.241 50 40 DIGB COc1ccc(C(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)cc1 4507525 CBIZDMNARJELLB-KGENOOAVSA-N 324.424 4.147 50 40 DIGB N#C/C(=C/c1ccccc1)c1nc(O)c2cc(Cl)ccc2n1 33471767 UGJPUYJKBGVSDR-WQLSENKSSA-N 307.740 4.053 50 40 DIGB O=C1c2ccccc2C(Cl)(Cl)[C@H](Cl)C1(Cl)Cl 2169348 AVRLSFVAMORTAF-QMMMGPOBSA-N 318.414 4.295 50 40 DIGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1c(F)cccc1Cl 7157991 TZAOVULZUWRPIG-XZIFPBMPSA-N 320.795 4.081 50 40 DIGB CC1=C(/C=C\C(C)=N\NC(=O)c2ccncc2)C(C)(C)CCC1 31628723 DVRXMZOCRXBBNX-MJCIBBJXSA-N 311.429 4.270 50 40 DIGB C/C(=N\NC(=O)c1ccccn1)c1ccc(C2CCCCC2)cc1 12603165 KHDZPISUPQUOIZ-PXLXIMEGSA-N 321.424 4.283 50 40 DIGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(N)=S 33768966 FMYXOWSZEKTCAP-SOFGYWHQSA-N 323.204 4.446 50 40 DIGB N#CC(C#N)=C1C=CC=CN1/C(=C/c1ccco1)c1ccccc1 4729889 SFYXHUOLQFXWFT-DEDYPNTBSA-N 311.344 4.464 50 40 DIGB O=C(N/N=C/c1ccc(-c2ccccc2)o1)c1ccc(Cl)cc1 409005054 CGTVINOGDQZDIF-UDWIEESQSA-N 324.767 4.364 50 40 DIGB CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(CSC#N)CSC#N)C2 2235099 BYRAKYAIGXNFDZ-CORIIIEPSA-N 310.488 4.015 50 40 DIGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cccs1 4520411 IHJLIPRAIDRNSP-DHZHZOJOSA-N 302.786 4.256 50 40 DIGB COc1cc(C)c(C(=O)CCCCCBr)cc1C 575358438 VPGSMMBAUSNEQK-UHFFFAOYSA-N 313.235 4.450 50 40 DIGB COc1c(F)cc(F)cc1C(=O)CCCCCBr 575358468 ZKPJGQGSZYGHBO-UHFFFAOYSA-N 321.161 4.111 50 40 DIGB C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(C)cc1 5380105 GMDSMMLFEKAZCD-YBFXNURJSA-N 321.207 4.456 50 40 DIGB CCc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 5386465 VIONPRATMUPBCA-ZROIWOOFSA-N 318.336 4.098 50 40 DIGB BrCC1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1 17149391 SBSDJCTZLCKGIV-MQVJKMGUSA-N 319.198 4.237 50 40 DIGB O=[N+]([O-])c1ccc(SSCc2ccccc2)c([N+](=O)[O-])c1 1626945 DUPFNXLPMJWIGH-UHFFFAOYSA-N 322.367 4.444 50 40 DIGB CSc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1 408752626 IVHOHXIHHBPIBI-DEDYPNTBSA-N 320.417 4.326 50 40 DIGB N#C/C(=C/c1c(F)cccc1Cl)C(=O)Nc1ccccc1 40889197 SADARWWSZXQYPM-LUAWRHEFSA-N 300.720 4.025 50 40 DIGB CC(C)(C)COc1ccc(Br)cc1C(=O)Cl 62700660 QPJZJEGIFJDEKP-UHFFFAOYSA-N 305.599 4.253 50 40 DIGB Cc1cc2nc(/C(C#N)=C/c3ccc(N(C)C)cc3)[nH]c2cc1C 76536648 HEQDNSMTFPVMSA-LFIBNONCSA-N 316.408 4.310 50 40 DIGB CCc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ccsc2)cc1 4652531 DKUCHEDRNZACBW-NWRYFCBHSA-N 310.422 4.095 50 40 DIGB CCC(C)(C)C1CCC(=NNC(=O)c2cccc(C)c2O)CC1 17054018 SYGTZZRETUYDEM-UHFFFAOYSA-N 316.445 4.413 50 40 DIGB CCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OC 35384786 VZNVWMSAVZJQDQ-GDNBJRDFSA-N 324.336 4.066 50 40 DIGB C/C(=N\NC(=O)c1ccc2ccccc2c1)c1ccc(C)cc1 253562051 CUCRXZBJSDLJGY-RCCKNPSSSA-N 302.377 4.302 50 40 DIGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccccc2F)c1 408786100 MBIMYJFFLRWFAN-GDNBJRDFSA-N 324.355 4.159 50 40 DIGB CC(C)(C)C1CCC(=NNC(=O)c2cc(Cl)ccc2O)CC1 374163 OOANWJOROJHUAR-UHFFFAOYSA-N 322.836 4.368 50 40 DIGB O=C(N/N=C1\Nc2cccc3cccc1c23)c1ccccc1Cl 1254701 XERGEBDAOPGIOE-UHFFFAOYSA-N 321.767 4.010 50 40 DIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1 5717680 JNRZHUNRGSIXJL-GHRIWEEISA-N 320.392 4.193 50 40 DIGB O=C(N/N=C\c1ccc2c(c1)CCC2)c1cccc2ccccc12 31672163 BFXCYGHNHLRKCN-HMAPJEAMSA-N 314.388 4.092 50 40 DIGB O=C(CCCC[C@@H]1CCSS1)N1CCc2ccccc2C1 79192188 HCSFTUIYXLVWFK-MRXNPFEDSA-N 321.511 4.285 50 40 DIGB biogenic COc1ccc2[nH]cc(C(=O)/C(C#N)=C\c3ccc(F)cc3)c2c1 48325473 OJPOJKMQSWQKKI-JYRVWZFOSA-N 320.323 4.105 50 40 DIGB C=C[Si](O/N=C(/C)CC)(O/N=C(/C)CC)O/N=C(/C)CC 169808821 WXWYJCSIHQKADM-JBLXQVBNSA-N 313.474 4.058 50 40 DIGB Cc1cc(NC(=O)CCl)cc2nc(-c3cccc(F)c3)oc12 216854536 JVQNINWWANAQLX-UHFFFAOYSA-N 318.735 4.120 50 40 DIGB O=C(CC1CCCCC1)NNc1ccccc1C(F)(F)F 3349762 CULZXYPOZZSMIM-UHFFFAOYSA-N 300.324 4.119 50 40 DIGB N#CC(=C1CCCCC1)c1nc(-c2ccc(O)c(O)c2)cs1 14109967 LHEGNNAPGZENAY-UHFFFAOYSA-N 312.394 4.463 50 40 DIGB CC(=O)N1c2ccccc2Sc2ccc(C(=O)CCl)cc21 1555307 CMFUROMBIICOFM-UHFFFAOYSA-N 317.797 4.257 50 40 DIGB O=C(NNC1CCC(C2CCCCC2)CC1)c1ccccc1 1685017 GCECCJIUQIEUGW-UHFFFAOYSA-N 300.446 4.060 50 40 DIGB CCOc1ccc(CN(CCCl)CCCl)cc1Cl 4697671 NYTCPRYXFLMVBG-UHFFFAOYSA-N 310.652 4.018 50 40 DIGB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(CSC#N)CSC#N)C2 101141936 BYRAKYAIGXNFDZ-LNSITVRQSA-N 310.488 4.015 50 40 DIGB C/C(=N\NC(=O)Cc1ccc(C(C)(C)C)cc1)c1cccs1 409256882 NXBVRJHWGYFBEG-CPNJWEJPSA-N 314.454 4.129 50 40 DIGB CC(C)(C)c1ccc(/C=N/NC(=O)CCc2ccccc2)cc1 5383840 HCKJAGLDXCHVGJ-RCCKNPSSSA-N 308.425 4.067 50 40 DIGB C/C(=N/NC(=O)c1cccc(C)c1)c1ccc2ccccc2c1 12403631 UBCLBKPWXNZNQL-QNGOZBTKSA-N 302.377 4.302 50 40 DIGB Cl[C@@H](OCC(Cl)(Cl)Cl)C(Cl)(Cl)Cl 1598459 CSVWIQQJQWJBDO-REOHCLBHSA-N 315.238 4.308 50 40 DIGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1 205555313 XIEIORZOPAFNKZ-LGMDPLHJSA-N 318.376 4.106 50 40 DIGB N#CC(C#N)=Cc1ccc(Sc2cccc3cccnc23)o1 408993833 XCLLVMINNALJHN-UHFFFAOYSA-N 303.346 4.410 50 40 DIGB Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Cl)c3n2)cc1 2537753 PIYJWEQJZHCKHW-UHFFFAOYSA-N 321.714 4.021 50 40 DIGB C[C@@H](NC(=O)/C(C#N)=C/C=C/c1ccccc1)c1ccccc1 4544473 KEZDFCFETCKQJQ-SDGHFSQISA-N 302.377 4.027 50 40 DIGB N#CSc1ccc(NC(=O)CCc2ccccc2)cc1Cl 4545677 UPJCTRBXZLRMLC-UHFFFAOYSA-N 316.813 4.484 50 40 DIGB CCN1/C(=C/C(=C(C#N)C#N)C(F)(F)F)C=Cc2ccccc21 5174332 HTYWQCHUUNUMHU-NTEUORMPSA-N 315.298 4.330 50 40 DIGB CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1 15357239 XXYHKGTWPDNZAX-SSZFMOIBSA-N 306.365 4.021 50 40 DIGB CCCOc1ccc(C(=O)N/N=C(\C)c2cc(C)ccc2C)cc1 216065090 OLEJHJOUJOXJAZ-LTGZKZEYSA-N 324.424 4.246 50 40 DIGB C/C(=N\NC(=O)CCSc1ccc(C)cc1)c1ccccc1 409115196 JHVWVRGGLWDKNN-XDJHFCHBSA-N 312.438 4.018 50 40 DIGB C/C(=N\NC(=O)c1ccc(F)cc1)c1cccc2ccccc12 8812220 DUVXSBSQTYKBMK-FYJGNVAPSA-N 306.340 4.133 50 40 DIGB Fc1cc(CBr)c(Cl)cc1Br 113664335 KQZAIIOOHQWNRS-UHFFFAOYSA-N 302.368 4.137 50 40 DIGB Cc1ccc(C(=O)N/N=C/c2ccc3c4c(cccc24)CC3)cc1 408840572 GZABMAQUCWOZGO-LPYMAVHISA-N 314.388 4.011 50 40 DIGB C/C(=N\NC(=O)Cc1ccccc1)c1ccc(C(C)(C)C)cc1 4534658 WIMRQSGDCDBJCK-RCCKNPSSSA-N 308.425 4.067 50 40 DIGB Cc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)c1C 408858685 KQDZKLPTFQNENJ-VXLYETTFSA-N 300.789 4.029 50 40 DIGB O=C(N/N=C\c1cccc2ccccc12)c1ccc(Cl)cc1 33330433 QTONMYODJBGDNU-NDENLUEZSA-N 308.768 4.257 50 40 DIGB CSc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 5130803 JUWXHHRBDALIPT-FINCRHPDSA-N 314.454 4.010 50 40 DIGB CCc1ccc(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)cc1 5719395 XMCKQKNBSVSGSK-RVDMUPIBSA-N 315.376 4.276 50 40 DIGB C/C(=N\NC(=O)CSCc1ccccc1Cl)C(C)(C)C 408719290 BGJZTAPXXMDFST-GZTJUZNOSA-N 312.866 4.111 50 40 DIGB COc1ccc(NC(=O)[C@@H](Cl)c2ccccc2)cc1Cl 3276795 BKKDMADLNRAVGL-AWEZNQCLSA-N 310.180 4.267 50 40 DIGB CCOc1cc(/C=C/C#N)ccc1OCc1ccccc1C#N 6155541 DDICQNOGHUGCOV-AATRIKPKSA-N 304.349 4.073 50 40 DIGB CSc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1 408568357 SXRDNGNOPSRYJC-WQLSENKSSA-N 309.369 4.488 50 40 DIGB Cc1ccccc1C(=O)NN(Cc1ccccc1)c1ccccc1 32256981 BMRZOEGLGKEZJO-UHFFFAOYSA-N 316.404 4.347 50 40 DIGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(Cl)cc1 408766306 UEYCBUZHZJFQGV-UVTDQMKNSA-N 324.767 4.088 50 40 DIGB CC(C)c1cc(/C=N/NC(=O)c2ccccc2)cc(C(C)C)c1O 408847622 NUUFVDUNUBYYEE-CIAFOILYSA-N 324.424 4.403 50 40 DIGB COc1ccccc1-c1csc(/C(C#N)=C2\C=CC=CN2C)n1 101231442 CYFRSQYOSRYEQF-JQIJEIRASA-N 321.405 4.069 50 40 DIGB C/C(=N\NC(=O)c1cccs1)c1ccc(C(C)(C)C)cc1 6295505 NXSFMMBLPNYHMT-LDADJPATSA-N 300.427 4.200 50 40 DIGB CC(C)(C)C(=O)/C(C#N)=C/c1c[nH]nc1-c1cc2ccccc2o1 63275473 BWJDZHXGSLDQNH-MDWZMJQESA-N 319.364 4.345 50 40 DIGB CCO[C@@H](O[Si](CC)(CC)CC)C(F)(F)Br 169806601 QNSYMTRYMKRKGT-VIFPVBQESA-N 319.262 4.359 50 40 DIGB Cc1cc(C)c(/C=C(/C#N)C(=O)Nc2ccccc2C)c(C)c1 211824896 VUGVVSCZZWCQFG-BOPFTXTBSA-N 304.393 4.466 50 40 DIGB COc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1OC(C)C 6828214 DIZHWJWWJTWXJN-NTEUORMPSA-N 301.386 4.005 50 40 DIGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)Cc1ccccc1 16137005 JABYLWGQOCQEKN-LTGZKZEYSA-N 308.425 4.089 50 40 DIGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CC)c2C)cc1 409071230 ISEYXTKDIQJIRY-PDGQHHTCSA-N 321.424 4.233 50 40 DIGB O=C(CSCc1cccc(Cl)c1)NN=C1CCCCC1 5428197 ZICUUFXXUOLQEN-UHFFFAOYSA-N 310.850 4.010 50 40 DIGB Cc1cnc(NC(=O)CCCC[C@H]2CCSS2)s1 25404796 AAAQYCLBMKRMEU-JTQLQIEISA-N 302.490 4.104 50 40 DIGB biogenic CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)[C@@H](C)Cl 223827050 WKPSNINMXDKGPS-VXGBXAGGSA-N 309.837 4.331 50 40 DIGB COc1cccc2c3c(c(C)nc12)C[C@@H](C(Cl)Cl)S3 290744 ICSFUFUYMUURAU-NSHDSACASA-N 314.237 4.372 50 40 DIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1c(C)[nH]c2ccccc12 32180667 DVYLLVASMHIDKK-PTNGSMBKSA-N 315.376 4.330 50 40 DIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(C)cc1 100195371 MBYDLAPKIMBAJI-NVNXTCNLSA-N 312.376 4.004 50 40 DIGB Cc1ccccc1CSCC(=O)NN=C1CCCCCC1 408827896 HVXJQWLGIVSYTD-UHFFFAOYSA-N 304.459 4.055 50 40 DIGB O=C(CCl)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 539386 NGYHNZVUQOODHJ-UHFFFAOYSA-N 312.756 4.186 50 40 DIGB CCN(CCCl)CCOC(c1ccccc1)c1ccccc1 1672326 GNQSMZPJUQQSTN-UHFFFAOYSA-N 317.860 4.353 50 40 DIGB CCC(CC)=NNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 4868090 XWFMNYPIZWDPDN-UHFFFAOYSA-N 315.392 4.139 50 40 DIGB CC(C)c1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1 5130317 MNIJBQQZJTXCEY-XDHOZWIPSA-N 304.393 4.033 50 40 DIGB COc1ccc(-c2ccc(C(=O)Cl)o2)c(Br)c1 57353746 JPLTWEMXRNMKSF-UHFFFAOYSA-N 315.550 4.097 50 40 DIGB COc1cc(C=C(C#N)C#N)ccc1OCc1cccc(Cl)c1 135347 GSIIXONJEMAYDH-UHFFFAOYSA-N 324.767 4.358 50 40 DIGB Cc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)o1 48314160 UXTYZVPRSAIMNE-FLIBITNWSA-N 320.270 4.153 50 40 DIGB CC(C)(C)OC(=O)Nc1cc(CBr)ccc1F 169801514 KRWZFBYDQUQVJF-UHFFFAOYSA-N 304.159 4.068 50 40 DIGB N#C/C(=C\c1ccc(C#N)cc1)Sc1nc2ccccc2[nH]1 408599294 SCIXJRWTEUOMDJ-NTEUORMPSA-N 302.362 4.091 50 40 DIGB C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C)cc1 106302 YXLJCHRQNWJKRW-RCCKNPSSSA-N 308.425 4.447 50 40 DIGB COc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1C 408565822 AVGSWFAKEQKBPC-JYRVWZFOSA-N 307.328 4.083 50 40 DIGB N#C/C(=C\c1ccccc1)C(=O)Nc1ccccc1C(F)(F)F 141146 MARMJEJUVMCSDO-JLHYYAGUSA-N 316.282 4.251 50 40 DIGB BrCCCN(Cc1ccccc1)Cc1ccccc1 38342200 XKGMFUZYTNHPGX-UHFFFAOYSA-N 318.258 4.474 50 40 DIGB C/C(=N\NC(=O)c1csc(C(C)C)c1)[C@H]1C[C@H]2CC[C@H]1C2 106271315 JHUFHYHOCVNYCM-YQCHFAAASA-N 304.459 4.413 50 40 DIGB COc1cccc2c1N(C(=O)CCCCl)C(C)(C)C=C2C 223239814 VQEYIGTZGWXUIO-UHFFFAOYSA-N 307.821 4.243 50 40 DIGB N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1ccccc1Cl 141707 UWAGOVNYEUQWBU-FMIVXFBMSA-N 321.767 4.367 50 40 DIGB C[C@H](Br)C[C@@](F)(Cl)C(F)(F)Br 71617250 WUVIXTLECMSVJJ-IMJSIDKUSA-N 318.358 4.052 50 40 DIGB in-vitro CC1(C)OC12[C@@H]1c3ccccc3[C@H]2[C@H]2[C@H](Cl)C=C[C@H](Cl)[C@@H]12 104292047 YVVUKDJPPRPXMP-YPMKUKCJSA-N 321.247 4.446 50 40 DIGB COc1cc(N2CCCC2)ccc1/C=C(/C#N)c1ccccc1F 108023839 OYCOWRABVMLIAV-VBKFSLOCSA-N 322.383 4.499 50 40 DIGB O=C(/C=C/c1cnc2ccccc2c1)NNc1ccc(Cl)cc1 4052093 AJUDOAHHBUOWBQ-BJMVGYQFSA-N 323.783 4.045 50 40 DIGB N#C/C(=C/c1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cc1 33383009 TWIICOHEYHUMDJ-LCYFTJDESA-N 316.263 4.260 50 40 DIGB O=C(Cl)Cc1cccc(-c2nc3cc(Cl)ccc3o2)c1 41127598 DXIXFNZAEGLOMQ-UHFFFAOYSA-N 306.148 4.456 50 40 DIGB O=C(NN(Cc1ccccc1)c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 106745084 ZIVRLXLXWZLVAW-CMKODMSKSA-N 320.436 4.161 50 40 DIGB Cc1cc(C(=O)NN=C2c3ccccc3-c3ccccc32)c(C)o1 228359 RONPMEAYEFPRRO-UHFFFAOYSA-N 316.360 4.059 50 40 DIGB N#C/C(=C\c1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 467934 MRWHOOBWXOMENM-GHRIWEEISA-N 324.811 4.241 50 40 DIGB CC(C)(C)N(C=C(Cl)Cl)C(=O)N/N=C/c1ccccc1 4480943 UHOLNJKMQAEIHC-RQZCQDPDSA-N 314.216 4.107 50 40 DIGB N#C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 13647618 BZRGZMKGMOAWJD-XFXZXTDPSA-N 307.334 4.269 50 40 DIGB CCOc1cccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1 6950057 JIXVZXFUCWQDKF-GZTJUZNOSA-N 320.392 4.248 50 40 DIGB CCCCCCCCCCS(=O)(=O)C[C@H](Cl)CCl 100244452 XVBBBSONUNGAII-CYBMUJFWSA-N 317.322 4.388 50 40 DIGB COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1 40139950 VEODGVAVPFFAOS-MDWZMJQESA-N 320.323 4.105 50 40 DIGB CSC(SC)=C(C#N)c1nc(-c2ccc(Cl)cc2)no1 57354746 ISWQECCYDWDMOR-UHFFFAOYSA-N 323.830 4.308 50 40 DIGB Cc1ccc(CSCC(=O)NN=C2CCCCCC2)cc1 59436902 YYPZROZXKFIOCL-UHFFFAOYSA-N 304.459 4.055 50 40 DIGB C=CCOc1cccc(/C=C(/C#N)Cn2cnc3ccccc32)c1 408691714 NDBDHAFNHYNRNK-BOPFTXTBSA-N 315.376 4.208 50 40 DIGB Cc1cc(C=C(C#N)C#N)cc(C)c1OCc1ccc(F)cc1 408857890 NJOGNHFQNCYAPQ-UHFFFAOYSA-N 306.340 4.452 50 40 DIGB Cc1ccc(NC2=C(C=O)C(=O)C[C@@H](c3ccccc3)C2)cc1 539794 WIVCDSUXYTYVSI-INIZCTEOSA-N 305.377 4.007 50 40 DIGB COc1ccccc1C(=O)N/N=C(\C)c1cccc2ccccc12 5328864 PQSWGUAEVMFINO-KGENOOAVSA-N 318.376 4.002 50 40 DIGB Cc1csc(/C(C#N)=C/c2cn(CCC#N)c3ccccc23)n1 8207459 TVFFWFQVUGEGDE-NTEUORMPSA-N 318.405 4.384 50 40 DIGB CC(C)(C)OC(=O)NN(Cc1ccccc1)Cc1ccccc1 1717883 GXOWIGRFMNBIRQ-UHFFFAOYSA-N 312.413 4.129 50 40 DIGB O=C(COc1cccc2ccccc12)NN=C1CCCCCC1 4680339 PJJYLKXJAPZHPE-UHFFFAOYSA-N 310.397 4.045 50 40 DIGB O=C(Cl)/C=C/c1ccc(-c2ccc(Br)cc2)o1 16429422 FAQZIIQGMYPEDP-SOFGYWHQSA-N 311.562 4.488 50 40 DIGB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N/N=C\c1ccccc1Cl)C2 35373509 VSYQPZXMQOGAJS-YPPCLWPPSA-N 316.832 4.173 50 40 DIGB CCCCCCCCCCCC[S@](=O)C[C@@H](Cl)CO 100244487 OZYBGLXHFCSSPV-HNAYVOBHSA-N 310.931 4.256 50 40 DIGB COC(=O)c1cc(Cl)ccc1C(=O)[C@@H](Cl)c1ccccc1 575361699 HMIDSROEGRQNRJ-AWEZNQCLSA-N 323.175 4.289 50 40 DIGB O=C(NN=C1CCC(c2ccccc2)CC1)c1ccc(F)cc1 61719 NTRDXFDOWJFSNO-UHFFFAOYSA-N 310.372 4.269 50 40 DIGB O=C(N/N=C/c1cccc2ccccc12)c1ccccc1Cl 256697 BGNSMUUFBQVFAA-UDWIEESQSA-N 308.768 4.257 50 40 DIGB CO[C@H](C(=O)NN=C1CCC(C(C)(C)C)CC1)c1ccccc1 567155 XBIYQCWFBGTBOM-LWKPJOBUSA-N 316.445 4.083 50 40 DIGB CCCCCCCCNC(=O)/C(C#N)=C/c1cccc(F)c1 3291585 LSKIFWOMFPGHRK-FOWTUZBSSA-N 302.393 4.209 50 40 DIGB C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(Cl)s1 5494624 NNDWJDPACADBOD-RAPDUPMSSA-N 318.829 4.045 50 40 DIGB Cc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1Cl 6033652 DOPAKOYZQGXJEE-GIJQJNRQSA-N 307.180 4.066 50 40 DIGB CC(C)Oc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1 40139635 VHILBUZPNJCOFI-FOWTUZBSSA-N 317.392 4.425 50 40 DIGB C/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 12571515 GNBFKHUHNZWDJD-VCHYOVAHSA-N 307.180 4.147 50 40 DIGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(Cl)cc2Cl)n1 408981110 ZHVLYSWRCOXWDM-WUXMJOGZSA-N 320.179 4.054 50 40 DIGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc([C@H]2C[C@@H]2C)o1 4887996 HYBPRGIWENOKQC-HCJRSGCNSA-N 306.365 4.257 50 40 DIGB CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCCCl)c1 6263838 JAHFXVOJBYXORE-UHFFFAOYSA-N 317.216 4.036 50 40 DIGB N#CC(C#N)=Cc1ccc(-c2ccc(Br)cc2F)o1 252506005 VVTHHXGAYJZBRB-UHFFFAOYSA-N 317.117 4.279 50 40 DIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)o1 54153 RVCNDYFKCUIZRC-UXBLZVDNSA-N 321.163 4.441 50 40 DIGB O=C(/C(=C\c1ccccc1)CBr)c1ccccc1 5045903 UODNKPNEWOIIAE-PTNGSMBKSA-N 301.183 4.348 50 40 DIGB CCCCCCCCC[C@H]1C(C#N)=C(N)Oc2n[nH]c(C)c21 97965382 UGYDBKHTOSOIEW-ZDUSSCGKSA-N 302.422 4.029 50 40 DIGB O=C(CSCc1cccc(Cl)c1)NN=C1CCCCCC1 409183416 CFPHALQQWNEYNM-UHFFFAOYSA-N 324.877 4.400 50 40 DIGB O=C(NN=C1CCCCCCC1)c1ccccc1-n1cccc1 6367679 IENOUXFTLBJCKA-UHFFFAOYSA-N 309.413 4.307 50 40 DIGB CCC/C(=N\NC(=O)c1ccccc1Cl)c1ccccc1 12571545 SEMYBFRPSDKIKA-KNTRCKAVSA-N 300.789 4.274 50 40 DIGB ICCCCCCOCc1ccccc1 34424723 NOTUNHQYDCXAKJ-UHFFFAOYSA-N 318.198 4.199 50 40 DIGB CC(C)Cc1ccc([C@@H](C)C(=O)N/N=C/c2ccccc2)cc1 59166342 CAQJISCKPJATCN-ZFMLPXDISA-N 308.425 4.139 50 40 DIGB CCn1c(C)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c1C 408568021 HRFDXQXCBBRZNW-ZSOIEALJSA-N 308.360 4.204 50 40 DIGB Cc1cccc(C(=O)NN=C2c3ccccc3-c3ccccc32)c1 66555 XCAURNVLPFKBIV-UHFFFAOYSA-N 312.372 4.158 50 40 DIGB FC(F)(F)c1ccc(Br)cc1CBr 91251924 RTJDTDNOPPUSGA-UHFFFAOYSA-N 317.930 4.363 50 40 DIGB CC1=C(C#N)[C@H](c2ccccc2F)C2=C(O)c3ccccc3C2=N1 102540559 MROSEJUUSIRRRE-KRWDZBQOSA-N 316.335 4.492 50 40 DIGB CCC[C@](C#N)(O[Si](C)(C)C)c1cc(OC)ccc1OC 255190379 WXBXWFMSMSVLHZ-MRXNPFEDSA-N 307.466 4.074 50 40 DIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)cc1C 4502014 UCKLGAAPDSTITJ-GZTJUZNOSA-N 320.392 4.166 50 40 DIGB CC(C)(C)c1ccc(C(=O)N/N=C/C=C/c2ccccc2)cc1 4702489 AFGQMBFEFCDFJK-IPEBZGMUSA-N 306.409 4.413 50 40 DIGB Cn1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc21 409208464 CICRPFAYJZMNJI-UVTDQMKNSA-N 303.321 4.151 50 40 DIGB O=C(C(Cl)Cl)N(Cc1ccccc1)Cc1ccccc1 1684092 CMCPFKOSYLCNHR-UHFFFAOYSA-N 308.208 4.019 50 40 DIGB C/C(=N\NC(=O)c1cccc(C)c1O)c1cccc2ccccc12 17054580 NNXHTKINWOAGOO-KGENOOAVSA-N 318.376 4.008 50 40 DIGB Cn1c(SCCCCl)nnc1-c1ccc2ccccc2c1 228980084 MIWNIPBIHQTLGR-UHFFFAOYSA-N 317.845 4.356 50 40 DIGB O=C(CBr)O[C@H]1CCCC[C@H]1C1CCCCC1 1615174 DIYHVSKBLWKBBP-STQMWFEESA-N 303.240 4.064 50 40 DIGB CCCCCCN(CCCCCC)P(=O)(N1CC1)N1CC1 104380449 BTAJWOVJCFPFCA-UHFFFAOYSA-N 315.442 4.188 50 40 DIGB COC(=O)c1c(CCl)nc2ccccc2c1-c1ccccc1 4206987 QNUQGHVSIWKQHW-UHFFFAOYSA-N 311.768 4.427 50 40 DIGB in-vitro CCN(CC)c1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)o1 4540799 NBIKHBJYZNVEFO-QBFSEMIESA-N 306.369 4.066 50 40 DIGB CCC(CC)=NNC(=O)c1sc2cc(OC)ccc2c1Cl 4964625 UQPNJTCUYVNRLI-UHFFFAOYSA-N 324.833 4.469 50 40 DIGB C/C(=N\NC(=O)c1ccco1)c1ccc(-c2ccccc2)cc1 5024596 HYCCIABDRXTNIB-XSFVSMFZSA-N 304.349 4.101 50 40 DIGB CCCc1ccc(/C(C)=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 6046105 YTTWFUDPHLIIGY-JZXVBVKESA-N 320.436 4.283 50 40 DIGB CCOC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C)cc2)cc1 7144094 FEGMBRQHDUPIJD-LDADJPATSA-N 321.376 4.044 50 40 DIGB Cc1cc(/C(C#N)=C\c2ccc(N(C)C)cc2)cc(C)c1[N+](=O)[O-] 17159586 ODAUUAODTHEGTQ-BOPFTXTBSA-N 321.380 4.342 50 40 DIGB O=C(NN(Cc1ccccc1)c1ccccc1)[C@H]1CC=CCC1 32255881 YALVETKYBAFZRS-SFHVURJKSA-N 306.409 4.081 50 40 DIGB C[C@H](Br)C[C@](F)(Cl)C(F)(F)Br 71617253 WUVIXTLECMSVJJ-IUYQGCFVSA-N 318.358 4.052 50 40 DIGB in-vitro CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(C)s1 100383412 ROFUVULANYGSSU-MLPAPPSSSA-N 318.405 4.065 50 40 DIGB O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccccc1 255822 RZNLOQPTLCAZHO-RCCKNPSSSA-N 316.360 4.243 50 40 DIGB N#CCn1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c2ccccc21 6025782 WXEVKNJQJMTXAL-KAMYIIQDSA-N 323.359 4.105 50 40 DIGB Cc1ccc(CC(=O)N/N=C/c2cccc3ccccc23)c(C)c1 20194667 YISLTLDZUPZSQH-HYARGMPZSA-N 316.404 4.149 50 40 DIGB CCCCCCCCCCCC[S@](=O)C[C@H](O)CCl 100243458 JUTNQOYEGCJPJS-DNVCBOLYSA-N 310.931 4.256 50 40 DIGB COc1ccccc1C(=O)N/N=C(C)/C=C/C=C/c1ccccc1 4544132 PFOJVCFAWJDHED-SRRPLJPLSA-N 320.392 4.071 50 40 DIGB CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1 6950070 SQVRJXIWTJWQLK-GZTJUZNOSA-N 320.392 4.248 50 40 DIGB Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(F)cc3)n2)cc1 96669751 SJSSZAWRDSWYDI-GDNBJRDFSA-N 305.312 4.248 50 40 DIGB CC/C(Cc1ccccc1)=N\NC(=O)c1ccc(Cl)c(C)c1 409178148 KULPXIJKXAWTMA-CAPFRKAQSA-N 314.816 4.387 50 40 DIGB CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)ccc1OC 409368053 QSOMDVMWLXYGQK-YVLHZVERSA-N 304.349 4.030 50 40 DIGB N#CC(C#N)=Cc1cn(CCOc2ccccc2)c2ccccc12 5899969 HAVNJZNHUAUINY-UHFFFAOYSA-N 313.360 4.151 50 40 DIGB CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1 6950083 CEWNKCXQCJQOBL-GZTJUZNOSA-N 320.392 4.248 50 40 DIGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(F)cc1 7210398 ZIMKTNAJLYRDOS-MDWZMJQESA-N 314.747 4.333 50 40 DIGB CC(C)(C)OC(=O)Nc1ccc(F)c(CBr)c1 169801521 KDJWWRAOVNWVNR-UHFFFAOYSA-N 304.159 4.068 50 40 DIGB C[C@@H](/C=N/NC(=O)c1cccc2ccccc12)c1ccccc1 5527713 PZESBLQMBDDPLO-HBBMIWKISA-N 302.377 4.359 50 40 DIGB c1ccc([P+](CC2CC2)(c2ccccc2)c2ccccc2)cc1 100019538 BHGACZREOIYQQU-UHFFFAOYSA-N 317.392 4.391 50 40 DIGB Cc1ccc(C(=O)N/N=C/c2cn(C(C)C)c3ccccc23)cc1 409168482 LOUNRHYSCVHGHH-CIAFOILYSA-N 319.408 4.295 50 40 DIGB C/C(=N/NC(=O)c1ccccc1F)C12CC3CC(CC(C3)C1)C2 4150432 MTKYHDMUDKHWHE-MTJSOVHGSA-N 314.404 4.148 50 40 DIGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OC 6155458 FDSWQWZBTLLRCG-DHDCSXOGSA-N 324.336 4.066 50 40 DIGB CC[C@H]1CCc2c(sc(NC(=O)CCCCl)c2C#N)C1 2743167 BYHVPUXDLQRQCR-JTQLQIEISA-N 310.850 4.092 50 40 DIGB CCc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1 2795837 PPRJALLWTCBYMT-PXLXIMEGSA-N 316.404 4.095 50 40 DIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)s1 16439833 SMHCBOUBCKESNQ-YRNVUSSQSA-N 302.786 4.256 50 40 DIGB N#C/C(=C/c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 6321787 RAKVLKVYFGSLSQ-XFXZXTDPSA-N 300.720 4.025 50 40 DIGB CCOc1cc(C=C(C#N)C#N)ccc1OCc1ccc(F)cc1 40007489 DFKPZYLSGLQFOV-UHFFFAOYSA-N 322.339 4.234 50 40 DIGB CC(C)c1ccccc1OCC(=O)N/N=C\C=C\c1ccccc1 12401759 OINIDYBDDYSBCR-HCYZRJLASA-N 322.408 4.004 50 40 DIGB C=CCOc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1 2847063 MPLVQTITBKDCJX-FOWTUZBSSA-N 306.321 4.224 50 40 DIGB CCN(CC)c1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1 33652643 ZZEFXLGNKFTVHI-AQTBWJFISA-N 320.392 4.295 50 40 DIGB Cc1cc(C)c(/C=N\NC(=O)c2cc3ccccc3o2)c(C)c1 83309268 CFQLNBPTVGVHSK-JAIQZWGSSA-N 306.365 4.122 50 40 DIGB C#CCn1cc(/C=C(\C#N)c2ccc(OC)cc2)c2ccccc21 408583196 SHTSZTUTDHPFHJ-GHRIWEEISA-N 312.372 4.347 50 40 DIGB O=C(CCCCBr)c1ccc(OC(F)F)cc1 575360794 IMWGKJNYLKZAFM-UHFFFAOYSA-N 307.134 4.036 50 40 DIGB C/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1ccc(C)s1 6216271 YYGCKBVRZREPKU-DEDYPNTBSA-N 323.421 4.067 50 40 DIGB ClC1=C(Cl)[C@@]2(Cl)C[C@H](Cl)[C@@H]1C2(Cl)Cl 104125634 LNXRPBYDAMRYDD-XCXIMHFFSA-N 300.827 4.468 50 40 DIGB CCCCCCOc1ccc(/C=N\NC(=O)c2ccccc2)cc1 107766399 WROWFXZAJVQVRO-PGMHBOJBSA-N 324.424 4.410 50 40 DIGB CC(C)(C)c1ccc(OCC(=O)N/N=C/C2CCCCC2)cc1 6313576 QOIUSJDUIZASGM-DEDYPNTBSA-N 316.445 4.045 50 40 DIGB CCOc1cccc(/C=C(\C#N)c2ccccn2)c1OC(F)F 7155389 IDRHTZHLWURNDR-JLHYYAGUSA-N 316.307 4.146 50 40 DIGB O=C(Cl)/C=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 6224696 MGTVDMIYKWKVFZ-ZZXKWVIFSA-N 312.108 4.287 50 40 DIGB COc1cccc(-c2csc(/C(C#N)=C\c3ccco3)n2)c1 6451258 MHNSHLAYZAPPSN-LCYFTJDESA-N 308.362 4.476 50 40 DIGB CC1(C)[C@H]2CC[C@]1(CBr)c1nc3ccccc3nc12 527304 SJPGQDHPHUPUKG-QFYYESIMSA-N 317.230 4.180 50 40 DIGB CC(C)[C@@H]1C(C#N)=C(SCC#N)N=C2CC(C)(C)CC(O)=C21 104153612 RFHLQRZKPCQDGD-CQSZACIVSA-N 315.442 4.337 50 40 DIGB C/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc(C)c(C)c1 5684091 KICQIESGYFCOKA-CPNJWEJPSA-N 300.789 4.111 50 40 DIGB Cc1cc(Cl)cc2sc(NC(=O)CCCCl)nc12 3231009 BGFZEMYNPWTGGH-UHFFFAOYSA-N 303.214 4.216 50 40 DIGB O=C(NN=Cc1ccccc1Cl)Nc1cccc(Cl)c1 12375477 DXMGFJIVSQJBSF-UHFFFAOYSA-N 308.168 4.149 50 40 DIGB CCCCCCCCC(=O)N/N=C(/C)c1ccc([N+](=O)[O-])cc1 102062246 SQIVVSYYSURZLW-JXAWBTAJSA-N 319.405 4.186 50 40 DIGB C/C(=N\NC(=O)Cc1cccc2ccccc12)[C@@H]1C[C@H]2CC[C@@H]1C2 370411 FSOLBJWJEBJTHW-CRCVPNSWSA-N 320.436 4.311 50 40 DIGB Cc1ccc(N/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1 57414090 SZFZYMCYFSIECX-QBFSEMIESA-N 311.772 4.107 50 40 DIGB CCOC(=O)c1cncc(CCCO[Si](C)(C)C(C)(C)C)c1 228941717 RUSYPDYNZDXYLL-UHFFFAOYSA-N 323.509 4.213 50 40 DIGB CCc1ccc(/C(C)=N/NC(=O)c2ccc(Cl)cc2)cc1 5667297 MFMZDQIJXGNAGR-XDHOZWIPSA-N 300.789 4.056 50 40 DIGB COc1cccc(/C=C(\C#N)C(=O)c2c[nH]c3cccc(C)c23)c1 40139895 KYMNLXJYBATHEW-OQLLNIDSSA-N 316.360 4.275 50 40 DIGB CCCCCCCCCCCC[S@@](=O)C[C@@H](O)CCl 100243460 JUTNQOYEGCJPJS-KXBFYZLASA-N 310.931 4.256 50 40 DIGB C[C@]12CC[C@@H](c3nc4ccccc4nc31)[C@@]2(C)CBr 100745882 ZRRCOFSLOVSUTR-CIISACIHSA-N 317.230 4.180 50 40 DIGB N#C/C(=C/c1ccc(N2CCCC2)cc1)c1ccc(C(=O)O)cc1 408541534 CZXSCONRWZLACC-AQTBWJFISA-N 318.376 4.049 50 40 DIGB O=C(NN=C1CCCC1)c1cc(-c2ccco2)nc2ccccc12 8081659 RENDVBOJDXGZHX-UHFFFAOYSA-N 319.364 4.155 50 40 DIGB O=C(CCl)N(CC1CCC1)c1cccc(C(F)(F)F)c1 199756746 OFROWUHHNPSHJZ-UHFFFAOYSA-N 305.727 4.077 50 40 DIGB CSc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 208026486 NKGLFISSLYTDNW-MTOJCTJASA-N 322.433 4.193 50 40 DIGB CCN(CC)c1ccc(/C=C(/C#N)c2cccc(C#N)c2)cc1 408566491 GWGZDKDFGBTCPK-UNOMPAQXSA-N 301.393 4.469 50 40 DIGB CCCC(=O)N(c1ccccc1O)[C@@H](Cl)c1ccccc1O 346776 VPOZSOOMNHLCHT-QGZVFWFLSA-N 319.788 4.169 50 40 DIGB O=C(N/N=C/c1ccccc1F)c1ccc(-c2ccccc2)cc1 5685179 SWUCTNXBUFYTRZ-HYARGMPZSA-N 318.351 4.257 50 40 DIGB CCN(CC)c1ccc(C(=O)CCCCBr)cc1 575358078 IIMDPCGCPOKZOW-UHFFFAOYSA-N 312.251 4.281 50 40 DIGB N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1 229610 KEHRWEWDPHTETP-FMIVXFBMSA-N 321.767 4.367 50 40 DIGB Cc1cc(/C=C(\C#N)C(=O)C(C)(C)C)c(C)n1Cc1ccco1 7156020 GLOAGZWHYXDCSX-MHWRWJLKSA-N 310.397 4.268 50 40 DIGB O=C(CBr)c1cc(Cl)c(Cl)cc1Cl 83184265 MSDKQHWJOOMRMU-UHFFFAOYSA-N 302.382 4.224 50 40 DIGB CC(C)(C)C(=O)N[C@@H](SCc1ccccc1)C(Cl)Cl 98047974 QCSLPCDWRBPSGP-LBPRGKRZSA-N 320.285 4.212 50 40 DIGB CC(C)(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1 4525112 LUWGEDMYPIUISM-QINSGFPZSA-N 320.392 4.235 50 40 DIGB C[C@H]1CC2(CCCCC2)N2C(=O)C(=C(C#N)C#N)c3cccc1c32 14162265 YLGLCUBFTGGRAS-ZDUSSCGKSA-N 317.392 4.044 50 40 DIGB Cc1ccc(NC(=O)/C(C#N)=C\c2c(C)[nH]c3ccccc23)cc1 40570634 NBHGOBYGYVKAAM-PTNGSMBKSA-N 315.376 4.330 50 40 DIGB C/C(=N/NC(=O)c1csc(C(C)C)c1)[C@H]1C[C@H]2CC[C@H]1C2 106271318 JHUFHYHOCVNYCM-HPHCMBEUSA-N 304.459 4.413 50 40 DIGB CC(C)c1ccc(/C=N/NC(=O)CSc2ccccc2)cc1 408778690 WRJATTKWIHMXJL-XDHOZWIPSA-N 312.438 4.052 50 40 DIGB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)[C@@H](C)Cl 223823665 VXLQVUKUGOGQRE-GFCCVEGCSA-N 307.821 4.241 50 40 DIGB CCCCO[C@H](c1ccc2c(c1)OCO2)[C@@H](C)Br 1614616 NCEMSXOKWQLAJE-YGRLFVJLSA-N 315.207 4.057 50 40 DIGB COc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1Cl 4738530 LRIPVDMTWUQBJG-WQLSENKSSA-N 309.756 4.289 50 40 DIGB Cc1c(CCCl)c(Cl)n2c(nc3ccccc32)c1C#N 347033 FUFPNFLKYVGOQV-UHFFFAOYSA-N 304.180 4.102 50 40 DIGB in-vitro N#C/C(=C/c1cc2c(cc1Cl)OCO2)c1ccccc1F 33744478 TYBSDERSLGAFMG-WZUFQYTHSA-N 301.704 4.272 50 40 DIGB CCc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 59133138 JLMQCGWWLNXBLO-CCNLRRDASA-N 304.393 4.033 50 40 DIGB N#C/C=C(\N)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1 100921557 SURREYMIFBXUEU-NVNXTCNLSA-N 304.271 4.321 50 40 DIGB CC/C(Cc1ccccc1)=N/NC(=O)c1ccc(C)c(Cl)c1 409107048 PWZOTTNZUPAUQH-SILNSSARSA-N 314.816 4.387 50 40 DIGB N#C/C(=C\c1ccccc1Br)c1nc2ccccc2[nH]1 3946916 MNRGQKYZTGBLTQ-FMIVXFBMSA-N 324.181 4.390 50 40 DIGB C/C(=N\NC(=O)OC(C)(C)C)c1ccc(Cl)cc1Cl 4860647 QMICVHFNUAJRQP-LZYBPNLTSA-N 303.189 4.242 50 40 DIGB COc1ccc(Cl)cc1/C=C(/C#N)c1ccc(C(=O)O)cc1 33729302 BLMGSCNLGZPWBW-ZSOIEALJSA-N 313.740 4.111 50 40 DIGB C/C(=N\NC(=O)Cc1cccc2ccccc12)[C@@H]1C[C@@H]2CC[C@@H]1C2 100064556 FSOLBJWJEBJTHW-VRJUPUCQSA-N 320.436 4.311 50 40 DIGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1 4247270 TULRHJPZXFYARJ-XYOKQWHBSA-N 307.334 4.269 50 40 DIGB COc1ccccc1/C=C(\C#N)C(=O)c1c[nH]c2cccc(C)c12 96307345 KJNXSPVIZBCSBE-XNTDXEJSSA-N 316.360 4.275 50 40 DIGB O=C(Cc1ccccc1)[C@@H](CCBr)c1ccccc1 162235 OCGJLFHDCCWOBR-INIZCTEOSA-N 317.226 4.367 50 40 DIGB N#CC(C#N)=Cc1ccc(OC(=O)c2ccc(Cl)s2)cc1 3165953 RIWQCYRWEHPSDH-UHFFFAOYSA-N 314.753 4.051 50 40 DIGB CN(C)c1ccc(/N=C2/C=CC(=C(C#N)C#N)c3ccccc32)cc1 18140317 VAJFTXOQBPMGCF-FLFQWRMESA-N 324.387 4.244 50 40 DIGB O=NN(CCCl)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 5080403 ISHLXNVJIMJNHP-UHFFFAOYSA-N 315.760 4.012 50 40 DIGB COc1ccc(/C=C(\C#N)c2nc3c(s2)C[C@@H](C)CC3)cc1 5445810 LRYQSFUOUXSKSC-LQELWAHVSA-N 310.422 4.341 50 40 DIGB CCOc1ccccc1/C=N/NC(=O)c1cccc2ccccc12 1705458 VUOAKDNFRFEUFV-KGENOOAVSA-N 318.376 4.002 50 40 DIGB C[C@@H](CN(CCCl)Cc1ccccc1)Oc1ccccc1 6487181 WLTMPGQTCRBODG-INIZCTEOSA-N 303.833 4.195 50 40 DIGB CCCCCCCCOc1ccccc1C(=O)N/N=C/OCC 100932692 SGYJVHLQNFIAJZ-XDJHFCHBSA-N 320.433 4.136 50 40 DIGB COc1ccc([C@@H](Cl)C(Cl)(Cl)Cl)cc1OC 162797 AVANJYCNHDNKEL-SECBINFHSA-N 304.000 4.354 50 40 DIGB Cc1csc(/C(C#N)=C/c2cc(Br)ccc2F)n1 6925353 HPMBZHVRFAPGOV-ONNFQVAWSA-N 323.190 4.417 50 40 DIGB CC(C)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1 33672376 RQHDGNANDARTLR-ATVHPVEESA-N 320.392 4.267 50 40 DIGB CC(C)N(Cc1ccccc1)C(=O)c1ccc(CCl)cc1 37343088 BLONTFYZTPFISN-UHFFFAOYSA-N 301.817 4.476 50 40 DIGB COc1cc(/C=C/C(=O)Cl)ccc1OCc1ccc(C)cc1 218724501 DPTIPKXHJOESEH-CSKARUKUSA-N 316.784 4.361 50 40 DIGB CC1(C)[C@@]2(c3ccccc3)CC[C@@]1(C)C(=O)[C@@H]2Br 225804961 ZHTZCIKTGQWAAG-VBNZEHGJSA-N 307.231 4.097 50 40 DIGB C[C@@H](Br)C[C@@](F)(Cl)C(F)(F)Br 71617251 WUVIXTLECMSVJJ-DMTCNVIQSA-N 318.358 4.052 50 40 DIGB in-vitro CCO[Si](C)(C)CCP(c1ccccc1)c1ccccc1 198590709 DOHZUESDMPWWJO-UHFFFAOYSA-N 316.457 4.361 50 40 DIGB Cc1ccccc1NC(=O)/C(C#N)=C/c1c[nH]c2ccccc12 5069053 HRHFIORQOBLAPG-GXDHUFHOSA-N 301.349 4.022 50 40 DIGB Cc1ccccc1N/C=C(/C#N)C(=O)Nc1cccc(Cl)c1 57414087 ABZPZOSYINYITN-QBFSEMIESA-N 311.772 4.107 50 40 DIGB CCCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1 59117609 MOFLHVFRBVTFNQ-ATVHPVEESA-N 320.392 4.330 50 40 DIGB C/C(=N\NC(=O)NC1CCCCC1)c1ccc2ccccc2c1 12312124 CUBYOCNRIKEZAE-KGENOOAVSA-N 309.413 4.196 50 40 DIGB N#C/C(=C/c1cccc(O)c1)c1ccc(Br)cc1 31934952 YVCCALAGVAAYSD-JYRVWZFOSA-N 300.155 4.219 50 40 DIGB COC(=O)c1ccc(/C=C(/C#N)c2nc3ccccc3s2)cc1 33441437 QMDBUAMFOQDGNW-UVTDQMKNSA-N 320.373 4.147 50 40 DIGB CSC(CC1=CC(=C(C#N)C#N)CC(C)(C)C1)=C(C#N)C#N 104834918 PBWBEPXEUAHWEE-UHFFFAOYSA-N 308.410 4.131 50 40 DIGB N#CC(C#N)=C/C=C/c1c(-c2ccccc2)nc2sccn12 12523702 KOWHFOVXQGFTQB-XBXARRHUSA-N 302.362 4.050 50 40 DIGB CC(C)=NNC(=O)CSC1c2ccccc2-c2ccccc21 20247423 ZWCFKPUBVPTOOV-UHFFFAOYSA-N 310.422 4.002 50 40 DIGB COc1cc(COc2ccc(/C=C/C(=O)Cl)cc2)ccc1C 62715710 UFGFXSICJOFBDE-JXMROGBWSA-N 316.784 4.361 50 40 DIGB C/C(=N/NC(=O)c1ccccc1)c1ccc(Cl)cc1Cl 5104090 SEPQNEYOKIYNGF-ZDLGFXPLSA-N 307.180 4.147 50 40 DIGB C=CCOc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1 107872105 ZDIIQXRALVVHDU-WJDWOHSUSA-N 306.321 4.224 50 40 DIGB Cc1ccc(-c2noc(/C(C#N)=C\c3cccc(F)c3)n2)cc1 96669718 CKYFNEFTXZWQMO-DHDCSXOGSA-N 305.312 4.248 50 40 DIGB Br[C@H](c1ccccc1)c1nnc(-c2ccccc2)o1 16493546 QHNUVLANMRYBPI-CYBMUJFWSA-N 315.170 4.221 50 40 DIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)c(O)c(C)c2)cc1C 33607471 IRLOYJSUHHSPEG-YVLHZVERSA-N 320.392 4.172 50 40 DIGB CCOc1ccc(N/C=C(\C#N)c2nc3ccccc3o2)cc1 101135850 CWJZNFGHXRIGLL-OUKQBFOZSA-N 305.337 4.203 50 40 DIGB Cc1ccsc1/C=C(/C#N)C(=O)Nc1ccccc1Cl 213091965 ACIJRAVVWOIPTO-FLIBITNWSA-N 302.786 4.256 50 40 DIGB CCCCCCCC(O)(CCCCCCC)C(=O)NN(C)C 102993905 SWNSNGLZLHUNHR-UHFFFAOYSA-N 314.514 4.031 50 40 DIGB CCc1ccc(/C=C(\C#N)C(=O)NC2CCCCCC2)s1 2758876 PPPTUVFPJDJTJX-ACCUITESSA-N 302.443 4.056 50 40 DIGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)N3CCCCC3)o2)cc1 4031950 AKWQHOZXVDQPJE-GHRIWEEISA-N 320.392 4.175 50 40 DIGB O=C(N/N=C\c1ccccc1)c1sc2ccccc2c1Cl 33303183 RGUIALPNHIAJNJ-ZDLGFXPLSA-N 314.797 4.319 50 40 DIGB CCN(CC)C(=O)c1cc(Cl)c(SC#N)c(Cl)c1 59842966 OYGUUFZRPYHXKO-UHFFFAOYSA-N 303.214 4.049 50 40 DIGB CCOC(=O)c1cccc(C(=O)[C@@H](Cl)c2ccccc2)c1 575362393 YKOXPFKNJLUAHV-HNNXBMFYSA-N 302.757 4.026 50 40 DIGB COc1ccc(NC(=O)/C(C#N)=C\c2c(C)cc(C)cc2C)cc1 213625324 DAVMQCNCUSHLGZ-WJDWOHSUSA-N 320.392 4.166 50 40 DIGB C/C(=N\NC(=O)[C@@H](C)Sc1ccccc1)c1ccc(C)cc1 408719711 KNGJHDPXGABLPM-WBFOAEISSA-N 312.438 4.016 50 40 DIGB Cc1ccc(C(=O)c2c(NC(=O)CCl)sc(C)c2C)cc1 12484613 IKIHLQBYSFTKID-UHFFFAOYSA-N 321.829 4.082 50 40 DIGB Cc1cc(C)c(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)c1 213970472 BTHRCQQRHBVJKQ-GDNBJRDFSA-N 308.356 4.297 50 40 DIGB Cc1ccc(CC(=O)N/N=C/c2cccc3ccccc23)cc1C 408568735 WNKWXQUJCACLSJ-HYARGMPZSA-N 316.404 4.149 50 40 DIGB CC(C)(CCl)C(=O)Nc1ccc(Oc2ccccc2F)nc1 2555992 JUXAGCLOLILAAD-UHFFFAOYSA-N 322.767 4.217 50 40 DIGB Cc1ccc2oc(-c3cccc(NC(=O)CCl)c3C)nc2c1 216858541 SFQMYAHBQWEPIY-UHFFFAOYSA-N 314.772 4.289 50 40 DIGB CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 5644369 PZAPJEPLCIZGTG-RVDMUPIBSA-N 324.355 4.159 50 40 DIGB O=C(N/N=C1/C[C@@H]2C=CC[C@@H]12)c1sc2ccccc2c1Cl 6341808 VRNFDGYXLHWKDU-BPVDRLCRSA-N 316.813 4.237 50 40 DIGB Cc1ccc(C(=O)/C(C#N)=C2\Nc3ccccc3S2)cc1C 100813371 OJLIUALAQSCNIC-NBVRZTHBSA-N 306.390 4.439 50 40 DIGB COc1cc(/C=C/C(=O)Cl)ccc1OCc1ccccc1C 62715158 IIHJFKISAAXMOE-CSKARUKUSA-N 316.784 4.361 50 40 DIGB CCc1ccc(CC(C)(C)/C=N/NC(=O)Cc2ccccc2)cc1 314352 UZAWHPIVRDMAIO-CJLVFECKSA-N 322.452 4.162 50 40 DIGB CCCCCCCCCC/C(C)=N\NC(=O)c1ccc[n+](C)c1 104171490 IFRCVEASODADKT-JZJYNLBNSA-O 318.485 4.148 50 40 DIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccccc1F 213099967 RBYLEDGQFKBRGP-LCYFTJDESA-N 314.747 4.333 50 40 DIGB N#C/C(=C\c1ccc(-c2ccccc2C(F)(F)F)o1)C(N)=S 408543082 NPSYYBAPLOSGAH-VQHVLOKHSA-N 322.311 4.158 50 40 DIGB COc1cc(SC#N)ccc1NC(=O)[C@H](C)c1ccccc1 95471095 IXROLCQUMUPEQH-GFCCVEGCSA-N 312.394 4.011 50 40 DIGB CC(C)/C(=N\NC(=O)c1ccccc1Cl)c1ccccc1 5481658 AGUXVUFCHRMLTF-KNTRCKAVSA-N 300.789 4.130 50 40 DIGB COc1cc(/C=C/C#N)cc(Cl)c1OCc1ccccc1C#N 6229842 OAOQLLDVSFQWES-SNAWJCMRSA-N 324.767 4.336 50 40 DIGB COc1cc(C(=O)CCCCCBr)ccc1Cl 575357906 GSKYLBSNRXNMGL-UHFFFAOYSA-N 319.626 4.487 50 40 DIGB Cc1nn(-c2ccccc2)c2c1C(=O)CC(C)(C)[C@@H]2SC#N 2502254 ZLXZEBPKNGZDIC-MRXNPFEDSA-N 311.410 4.049 50 40 DIGB CCc1ccc(/C(C)=N/NC(=O)c2ccccc2Cl)cc1 5477244 RVXWJPUDPZSZCM-XDHOZWIPSA-N 300.789 4.056 50 40 DIGB C/C(=N\NC(=O)c1ccccc1Cl)c1ccc(C)c(C)c1 5618019 XHXGOHFDIJOFIP-CPNJWEJPSA-N 300.789 4.111 50 40 DIGB C[C@H](NC(=O)/C(C#N)=C\c1ccccc1Cl)c1ccccc1 6794801 SCFRLFDVJJZFMV-RERGGYADSA-N 310.784 4.124 50 40 DIGB CCCCCCCCC[C@@H]1C(C#N)=C(N)Oc2n[nH]c(C)c21 97965383 UGYDBKHTOSOIEW-CYBMUJFWSA-N 302.422 4.029 50 40 DIGB O=C(NC1CCCCCCC1)[C@H](Br)c1ccccc1 162900 XJDQIYDCHPFEGQ-OAHLLOKOSA-N 324.262 4.352 50 40 DIGB Cc1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 498327 AVMXFWXWGYGRBW-GIJQJNRQSA-N 307.180 4.066 50 40 DIGB C=CCOc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1 408567532 OLHKXLDSWKSXJZ-UVTDQMKNSA-N 319.339 4.331 50 40 DIGB COCCn1c(C)cc(/C=C(\C#N)c2ccc(Cl)cc2)c1C 2847238 MRAVKVVLLIZPFQ-GZTJUZNOSA-N 314.816 4.469 50 40 DIGB N#C/C(=C\c1ccc([N+](=O)[O-])o1)c1nc(-c2ccccc2)cs1 4174052 IXXHUEVERWNGPM-XYOKQWHBSA-N 323.333 4.375 50 40 DIGB C/C(Cc1ccccc1)=N\NC(=O)c1cccc2ccccc12 5381981 RBDHHIRSBXDVPH-RCCKNPSSSA-N 302.377 4.188 50 40 DIGB Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)o1 96346023 MWCSEIVRQUYYQJ-WJDWOHSUSA-N 302.333 4.287 50 40 DIGB C/C(=N\NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccccc1 409115077 GVKKZKFFOMFXCH-FHHIAAGZSA-N 312.438 4.016 50 40 DIGB CCOP(=O)(OCC)Oc1cc(C)c(SC#N)c(C)c1 1719941 UFGUJNZGMXTPOP-UHFFFAOYSA-N 315.331 4.437 50 40 DIGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1c(F)cccc1Cl 7157988 TZAOVULZUWRPIG-PIQUAJRNSA-N 320.795 4.081 50 40 DIGB Cc1ccc(NC(=O)N/N=C\c2ccc(Cl)s2)cc1C 36145262 FNMKBPNCHTXRCU-PXNMLYILSA-N 307.806 4.174 50 40 DIGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C\c1cccc2ccccc12 408718829 NCUMMKJAIMSCII-IHLXERFQSA-N 306.409 4.116 50 40 DIGB O=C(CCCCBr)c1cccc(C(F)(F)F)c1 575358849 GVDRVNLMERHFHT-UHFFFAOYSA-N 309.125 4.453 50 40 DIGB COc1ccc2nc(/C(C#N)=C\c3ccccc3Cl)[nH]c2c1 409392823 SGCPZNULHXZPFH-WQLSENKSSA-N 309.756 4.289 50 40 DIGB C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)Cc2ccc(Cl)cc2)C1 12137202 ZUTHUVRELYXDMY-XZOUCZQKSA-N 316.832 4.287 50 40 DIGB Cc1ccc(CC(=O)N/N=C(/c2ccccc2)C(C)C)c(C)c1 20194868 RFGHXWWOWOBBPN-LSDHQDQOSA-N 308.425 4.022 50 40 DIGB Cc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1 485348 MNNQFBZNOJDHIN-GIJQJNRQSA-N 307.180 4.066 50 40 DIGB CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cccc(O)c2)cc1 6005425 PFUVAMLOMXSEIG-FMNVXAMXSA-N 320.392 4.451 50 40 DIGB CC(=O)N(c1nc(CN=C=S)cs1)c1ccc(C)cc1C 4200470 OHZHRRZVLYRDNT-UHFFFAOYSA-N 317.439 4.047 50 40 DIGB CSc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1 6218220 DLJNXXVPXIZSKC-PTNGSMBKSA-N 308.406 4.263 50 40 DIGB Cc1cc(N/C=C(\C#N)C(=O)Nc2ccccc2)ccc1Cl 57414053 IKJDONJJTODUNA-ACCUITESSA-N 311.772 4.107 50 40 DIGB N#C/C(=C(\O)Nc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 102525287 SVQHEDPZMDBTSL-FOWTUZBSSA-N 310.744 4.079 50 40 DIGB aggregator Cc1cc(O)c(CN(C[C@@H](C)Cl)C[C@@H](C)Cl)cc1C 1639722 IIOGAVBCVDMYGF-CHWSQXEVSA-N 304.261 4.066 50 40 DIGB O=C(NC1CCC(CC2CCCCC2)CC1)C(Cl)Cl 1697821 UXRFGAVKBYGPBP-UHFFFAOYSA-N 306.277 4.436 50 40 DIGB COc1ccc(/C(C#N)=C/c2ccc(N(C)CCC#N)cc2)cc1 1735963 BFPANPWMNCFSHN-NBVRZTHBSA-N 317.392 4.109 50 40 DIGB C/C(=N\NC(=O)c1ccccc1Cl)c1ccc(Cl)cc1 5480136 SVTFPOQXWCJIFE-VCHYOVAHSA-N 307.180 4.147 50 40 DIGB CN(NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 6379244 GECOVDHJVRKXGZ-UHFFFAOYSA-N 310.184 4.166 50 40 DIGB Cc1ccccc1-c1nn(-c2ccccc2)cc1C=C(C#N)C#N 6790094 IDFFBTSSBBXVCF-UHFFFAOYSA-N 310.360 4.278 50 40 DIGB O=C(O)[C@H]1CNc2cc(S(F)(F)(F)(F)F)ccc2C1 110749832 NLEPZGBJQYILAR-SSDOTTSWSA-N 303.252 4.013 50 40 DIGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1cccs1 408719830 MRUVGBQXUZNLMH-MHWRWJLKSA-N 324.858 4.034 50 40 DIGB O=C(OCCc1ccccc1CCl)c1ccc(Cl)cc1 163577 IQWIETJWPGBTHR-UHFFFAOYSA-N 309.192 4.478 50 40 DIGB CC(C)(C)OC(=O)NNc1c2ccccc2nc2ccccc12 4663123 WRJPMVVJSQUTDJ-UHFFFAOYSA-N 309.369 4.240 50 40 DIGB Cc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(OC(C)C)c1 408782878 KQUPTIIVVKTDRM-BOPFTXTBSA-N 320.392 4.328 50 40 DIGB CCOC(=O)c1ccc(C(=O)[C@@H](Cl)c2ccccc2)s1 575361679 DVLKJTYTFLJITK-ZDUSSCGKSA-N 308.786 4.088 50 40 DIGB COc1ccc(N/C(=C\C=C(C#N)C#N)c2ccc(C)cc2)cc1 133827 GYSQVRJDTYLBFQ-NDENLUEZSA-N 315.376 4.430 50 40 DIGB O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1ccccc1 59422173 VWYCLGFBPCHXLY-CPNJWEJPSA-N 322.389 4.195 50 40 DIGB C/C(=N\NC(=O)c1ccc(Cl)cc1)c1cc(C)ccc1C 59728 MAMCRSLHUDVQHJ-CPNJWEJPSA-N 300.789 4.111 50 40 DIGB CSc1ccc(C)c(C(=O)NNc2cccc(Cl)c2)c1 32906798 JHKXHRGXBWNCFJ-UHFFFAOYSA-N 306.818 4.127 50 40 DIGB CCCCCCCCCCOCCOCCOCCCl 100069853 ROCDGQONDZZYKL-UHFFFAOYSA-N 308.890 4.416 50 40 DIGB C[C@]1(CBr)[C@H]2CC[C@@]1(C)c1nc3ccccc3nc12 101041477 ZRRCOFSLOVSUTR-HNHYXYPQSA-N 317.230 4.180 50 40 DIGB O=C(CCCC[C@H]1CCSS1)NC[C@@H]1C[C@H]2C=C[C@H]1C2 101373708 BJUZESCPJTXVCS-AJNGGQMLSA-N 311.516 4.029 50 40 DIGB CCCCSC1=C(C#N)[C@@H](c2ccccc2Cl)CC(=O)N1 2066471 BZDKJFNHBQHIBF-GFCCVEGCSA-N 320.845 4.212 50 40 DIGB O=C(N/N=C\c1cccs1)C(c1ccccc1)c1ccccc1 5602418 DXHDBJFJYUDJRO-ZHZULCJRSA-N 320.417 4.030 50 40 DIGB C/C(=N\NC(=O)c1ccc2ccccc2n1)c1ccc(Cl)cc1 6312424 DLRJPYZPFQDVAQ-CIAFOILYSA-N 323.783 4.042 50 40 DIGB CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OC 33936320 IEEJIXVGEGGGOQ-UVTDQMKNSA-N 319.364 4.034 50 40 DIGB CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1 6950843 MFZFTNCVFXALME-SFQUDFHCSA-N 320.392 4.248 50 40 DIGB N#C/C(=C/c1ccc2c(c1)OCCO2)c1nc2ccccc2s1 33761698 DNSAEVKFRIAUGP-LCYFTJDESA-N 320.373 4.132 50 40 DIGB O=C(Cl)Cc1cccc(-c2nc3ccc(F)cc3s2)c1 45923205 KUFPBGPRISHKLN-UHFFFAOYSA-N 305.761 4.410 50 40 DIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 5712744 HPRVVEIVYJHAAX-SFQUDFHCSA-N 320.392 4.248 50 40 DIGB ClCCN(CCCl)Cc1cc(Cl)sc1Cl 1686131 GPGGFWYRDKIXBI-UHFFFAOYSA-N 307.073 4.335 50 40 DIGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)c(C)cc2C)c1 48273722 GXPIVNPSLAOIJR-WQRHYEAKSA-N 304.393 4.466 50 40 DIGB Cc1ccc(S[C@H](NC(=O)C(C)(C)C)C(Cl)Cl)cc1 98047905 ODHYFUZVGNFVOB-LBPRGKRZSA-N 320.285 4.379 50 40 DIGB C/C(=N\NC(=O)c1cccc(C)c1)c1ccc(C(C)(C)C)cc1 409224541 MIUBZIGSZQMZOS-RCCKNPSSSA-N 308.425 4.447 50 40 DIGB CCO[Si](CCCCCc1ccccc1)(OCC)OCC 575182170 BMAKECCHPGLGEP-UHFFFAOYSA-N 310.510 4.448 50 40 DIGB C[C@@]1(CCl)Nc2ccccc2C(=O)N1c1ccc(Cl)cc1 152616 PDHJWVYMASMEIK-MRXNPFEDSA-N 321.207 4.367 50 40 DIGB COc1cc(C=C(C#N)C#N)ccc1OCc1ccccc1Cl 274538 QBURTEAXCARYDN-UHFFFAOYSA-N 324.767 4.358 50 40 DIGB N#CC(C#N)=C1C=C2C=C(NCc3ccccc3)CC[C@H]2CC1 3191628 NUEUXYOPKDDFMJ-MRXNPFEDSA-N 301.393 4.134 50 40 DIGB COc1ccc([C@@H](Cc2ccc(Cl)cc2)NCCCl)cc1 6484424 KJEDMHDTPPRPEX-QGZVFWFLSA-N 324.251 4.461 50 40 DIGB C[C@H](Cl)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 3107815 CTMSTGZMZGUIBJ-YFKPBYRVSA-N 319.632 4.290 50 40 DIGB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N/N=C/c1ccccc1Cl)C2 5302740 VSYQPZXMQOGAJS-LKERYGQTSA-N 316.832 4.173 50 40 DIGB CC(=O)Nc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1 6209422 DPVUKILEJRFRQG-GXDHUFHOSA-N 319.389 4.319 50 40 DIGB CCC(C)(C)OOC(C)(C)C#C[C@@]1(O)C[C@H]2CC[C@]1(C)C2(C)C 97955861 BGJBEAJSJIYELC-CDHQVMDDSA-N 322.489 4.483 50 40 DIGB CC[C@@H](Cl)C(=O)c1cc(OC(F)(F)F)ccc1Cl 575361464 HNFDUJOKLLIYSF-MRVPVSSYSA-N 301.091 4.439 50 40 DIGB COCCCOc1cc(C[C](CCl)C(C)C)ccc1OC 1560411593 ANOYNTVSMGCXMN-UHFFFAOYSA-N 313.845 4.122 50 40 DIGB CCC(C)(C)OOC(C)(C)C#C[C@@](C)(OC(C)=O)C(C)(C)C 2289147 WSNNNLBOCDPDFT-GOSISDBHSA-N 312.450 4.273 50 40 DIGB CC(C)c1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1 408856423 IIHSBQCYGHBVQU-NDENLUEZSA-N 306.365 4.320 50 40 DIGB N#CC(C#N)=Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 3212613 UGJVFJPGIHDTDW-UHFFFAOYSA-N 307.740 4.023 50 40 DIGB N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1 3266971 UYXMZDLJMSOJEU-JLHYYAGUSA-N 316.282 4.251 50 40 DIGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)c(O)c(C)c2)c1 35214342 RNDGNCBZYLJRSZ-YVLHZVERSA-N 320.392 4.172 50 40 DIGB O=C(Nc1cccc(Br)c1)c1ccc(CCl)cc1 36929981 RWCNDHPSGYSGIR-UHFFFAOYSA-N 324.605 4.440 50 40 DIGB C[C@@H](Br)C(=O)Nc1ccc(Oc2ccccc2)cc1 41736494 CUQLNIVCWMYWST-LLVKDONJSA-N 320.186 4.201 50 40 DIGB N#C/C(=C/c1cccc(Cl)c1)C(=O)Nc1ccccc1F 211419978 STTMNURAXURBKA-WQLSENKSSA-N 300.720 4.025 50 40 DIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)s1 13137502 FHSUMPRTFORTFB-DHZHZOJOSA-N 302.786 4.256 50 40 DIGB C[C@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)o1 1455640 WUUIXHOOCKICNO-QYSAYTBLSA-N 310.328 4.088 50 40 DIGB COc1ccc2[nH]cc(C(=O)/C(C#N)=C/c3ccccc3C)c2c1 40139905 PRZYOFLUKMSGCV-OQLLNIDSSA-N 316.360 4.275 50 40 DIGB N#C/C(=C\c1cccc2nccnc12)c1nc2ccccc2s1 9306797 LPPRBIMFEWDVKL-JLHYYAGUSA-N 314.373 4.304 50 40 DIGB C/C(=N\NC(=O)CCc1ccccc1)c1ccc(C(C)(C)C)cc1 14134445 UPNGADGLSDJHRQ-CJLVFECKSA-N 322.452 4.457 50 40 DIGB CCCC(=O)N(c1ccccc1O)[C@H](Cl)c1ccccc1O 346774 VPOZSOOMNHLCHT-KRWDZBQOSA-N 319.788 4.169 50 40 DIGB COc1ccc(/C=C(\C#N)c2nc3ccccc3s2)c(OC)c1 4247267 XRVACZZVLKPZOI-UKTHLTGXSA-N 322.389 4.378 50 40 DIGB Cc1ccc(Sc2ccc(C=C(C#N)C#N)cc2[N+](=O)[O-])cc1 32124618 WGFBKAPQFUKWCT-UHFFFAOYSA-N 321.361 4.485 50 40 DIGB C/C(=N\NC(=O)Cc1cccc2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 105395580 FSOLBJWJEBJTHW-UJTHMBSZSA-N 320.436 4.311 50 40 DIGB CC(C)NC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2)o1 6827591 BXTSXFVGYGFEGR-LCYFTJDESA-N 314.772 4.032 50 40 DIGB CC(C)(C)[Si](C)(C)OCCc1ccc(Cl)c(CO)c1 1775953512 HVRGSHUPALSXJW-UHFFFAOYSA-N 300.902 4.397 50 40 DIGB O=C(CCl)Nc1ncc(Cc2cccc3ccccc23)s1 544218 KPUSSCROQAZECT-UHFFFAOYSA-N 316.813 4.064 50 40 DIGB C/C(=N\NC(=O)c1ccccc1)c1ccc(Cl)cc1Cl 16102077 SEPQNEYOKIYNGF-VCHYOVAHSA-N 307.180 4.147 50 40 DIGB CCOP(=O)(OCC)/C(C#N)=C\c1c[nH]c2ccccc12 29590321 CXCPYMVLTOHULS-LCYFTJDESA-N 304.286 4.298 50 40 DIGB N#C/C=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 33552033 BBQKLIDRISSCND-DUXPYHPUSA-N 314.728 4.364 50 40 DIGB N#C/C(=C/c1ccc(C#N)cc1)C(=O)Nc1cccc2ccccc12 48272535 XDECMXSJEPIKIE-PDGQHHTCSA-N 323.355 4.257 50 40 DIGB Br[C@@H](c1ccccc1)c1nnc(-c2ccccc2)o1 16493544 QHNUVLANMRYBPI-ZDUSSCGKSA-N 315.170 4.221 50 40 DIGB Cc1ccc(C(=O)N/N=C/c2ccccc2Cl)c(Cl)c1 9190546 ILLIXYATDJRXCH-GIJQJNRQSA-N 307.180 4.066 50 40 DIGB N#C/C(=C(\O)Nc1cccc(Cl)c1)c1nc2ccccc2[nH]1 102483446 JZHIXRVDMIFDOU-FOWTUZBSSA-N 310.744 4.079 50 40 DIGB aggregator C/C=C\[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104198224 GKLLMCNHBABVQB-VKNLYSTLSA-N 304.373 4.246 50 40 DIGB CCCCCCCC(=O)N/N=C/c1ccc(N2CCCCC2)o1 8427397 KSYKURKVLSJREF-XDJHFCHBSA-N 319.449 4.081 50 40 DIGB C/C(=N\NC(=O)c1csc(C(C)C)c1)[C@H]1C[C@H]2CC[C@@H]1C2 20550102 JHUFHYHOCVNYCM-UYVJIDMWSA-N 304.459 4.413 50 40 DIGB O=C(CCl)N(Cc1ccncc1)c1cccc2ccccc12 199758306 FHVNBAKKEPUSBT-UHFFFAOYSA-N 310.784 4.007 50 40 DIGB O=C(N/N=C/[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(Cl)c(Cl)c1 1226010 UEGQHEUVZMGNTE-BPRHIHEKSA-N 311.212 4.145 50 40 DIGB N#C/C(=C/c1ccc(O)cc1)c1ccc(Br)cc1 31934969 GLMZSXXCHRVUAJ-LCYFTJDESA-N 300.155 4.219 50 40 DIGB COc1ccc(OC)c(/C=C(/C#N)c2nc3ccccc3s2)c1 33406152 ZXSLPBJJQWZHGB-LCYFTJDESA-N 322.389 4.378 50 40 DIGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\C=C\c2ccco2)c1 408771676 AJDODRISHOFXNV-WUZGXEBNSA-N 322.364 4.169 50 40 DIGB Cc1cccc(C(=O)N/N=C/c2cn(C(C)C)c3ccccc23)c1 409175789 UWZOOFVIKBQKGP-CIAFOILYSA-N 319.408 4.295 50 40 DIGB CCc1ccc(-c2csc(NC(=O)C(Cl)Cl)n2)cc1 6124554 JGJDQVCEWNHWPM-UHFFFAOYSA-N 315.225 4.115 50 40 DIGB COc1ccc(Br)cc1-c1nc(CCl)c(C)o1 44841938 IVFLOYUTGFXTOK-UHFFFAOYSA-N 316.582 4.160 50 40 DIGB C/C(=N\NC(=O)Cc1ccc(C)cc1)c1cccc2ccccc12 409364188 NJYPDUHEXPWVMM-CJLVFECKSA-N 316.404 4.231 50 40 DIGB C/C(=N/NC(=O)CCc1ccccc1)c1ccc2ccccc2c1 112527 GFGUVJFJUCLPKF-JWGURIENSA-N 316.404 4.313 50 40 DIGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OC 4454019 IEEJIXVGEGGGOQ-GXDHUFHOSA-N 319.364 4.034 50 40 DIGB CCCCCCC(=O)NN=c1c2ccccc2[nH]c2ccccc12 6386579 OSTCXAKDHYFYLD-UHFFFAOYSA-N 321.424 4.223 50 40 DIGB C/C(=N/NC(=O)c1cccc(F)c1)c1ccc2ccccc2c1 43302 ZLVDQSBESWQBEX-BKUYFWCQSA-N 306.340 4.133 50 40 DIGB CC(C)CCS(=O)(=O)c1ccc(CCl)c2ccccc12 85394473 YWYOXBKPQBYLGQ-UHFFFAOYSA-N 310.846 4.398 50 40 DIGB COc1ccc(Cl)cc1C(=O)CCCCCBr 141683990 CVAYZOZROMGARH-UHFFFAOYSA-N 319.626 4.487 50 40 DIGB CC1(C)Cc2cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)ccc2O1 408710648 CBAYCPBWUMSLNP-MHWRWJLKSA-N 320.348 4.372 50 40 DIGB O=C(N/N=C/c1ccccc1Cl)c1cccc2ccccc12 1705461 CHQGXLGFAKBHFT-UDWIEESQSA-N 308.768 4.257 50 40 DIGB C/C(=N/NC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1ccco1 5369692 WFJWFVLXKDJTJI-UBYSGRDGSA-N 324.424 4.221 50 40 DIGB CS[C@@H](C(=O)Nc1ccccc1)[C@@H](Cl)c1ccc(F)cc1 5515302 TZNYNQVETZQGOU-LSDHHAIUSA-N 323.820 4.476 50 40 DIGB COc1cccc(C(=O)NN=C2CCC(c3ccccc3)CC2)c1 5527438 LWGSSYUMJKBUNR-UHFFFAOYSA-N 322.408 4.139 50 40 DIGB BrC1=C[C@H]2C[C@H](c3ccccc32)[C@@H]1Br 71784961 DPBBMSLGWVLCIN-XXFPWJFMSA-N 314.020 4.313 50 40 DIGB Cc1cccc2[nH]cc(C(=O)/C(C#N)=C\c3ccc(C#N)cc3)c12 82076748 VGRUQSKDOFYMKI-SXGWCWSVSA-N 311.344 4.138 50 40 DIGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)cc1 409354198 ZYWUTTZHOJQBNH-GHXNOFRVSA-N 300.701 4.018 50 40 DIGB CC(C)(C)c1ccc(C(=O)N/N=C2/CCCc3ccccc32)cc1 33309540 GIODGCXULRYWQF-QOCHGBHMSA-N 320.436 4.455 50 40 DIGB [CH2-]c1ccccc1P(c1ccccc1C)c1ccccc1C 59436240 SGCCZYDYXRZWIE-UHFFFAOYSA-N 303.365 4.244 50 40 DIGB O=C(N/N=C/C=C/c1ccccc1)c1ccc2ccccc2c1 253573888 RXXDOKXTHOZWBS-XJYRWHQTSA-N 300.361 4.269 50 40 DIGB COc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)c1 408565779 AHJAYBOBNZIRNF-JYRVWZFOSA-N 307.328 4.083 50 40 DIGB Cc1cc(O)c(CN(C[C@H](C)Cl)C[C@H](C)Cl)cc1C 1639725 IIOGAVBCVDMYGF-STQMWFEESA-N 304.261 4.066 50 40 DIGB C[C@H](Cl)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 34800199 YZUFNXGNDNBHKE-ZETCQYMHSA-N 301.198 4.029 50 40 DIGB CCc1cccc2c(C(=O)/C(C#N)=C\c3cccc(O)c3)c[nH]c12 48277358 QAHXMEBUSLKUJM-DHDCSXOGSA-N 316.360 4.226 50 40 DIGB C/C(=N\NC(=O)c1ccccc1Cl)c1cc(C)ccc1C 59922449 QSEDRVVLXQINHY-CPNJWEJPSA-N 300.789 4.111 50 40 DIGB C/C(I)=C\CO[Si](C)(C)C(C)(C)C 195868035 RJQSJKGWNGCEOG-VQHVLOKHSA-N 312.267 4.347 50 40 DIGB CCOC(=O)c1ccccc1C(=O)[C@H](Cl)c1ccccc1 575361864 OGQYPYQYGSNASA-OAHLLOKOSA-N 302.757 4.026 50 40 DIGB O=C(CBr)O[C@@H]1CCCC[C@@H]1C1CCCCC1 1614650 DIYHVSKBLWKBBP-CHWSQXEVSA-N 303.240 4.064 50 40 DIGB CCCC[C@@H](Cl)CP(=O)(N1CCCC1)N1CCCC1 3169453 QCXYBVRKASEGMY-CQSZACIVSA-N 306.818 4.169 50 40 DIGB O=c1[nH]c(CCl)nc2scc(-c3ccccc3Cl)c12 3335898 PMBZKCSUYVYHAR-UHFFFAOYSA-N 311.193 4.044 50 40 DIGB CCc1cc(Cl)cc2sc(NC(=O)[C@H](C)Cl)nc12 20132012 UBHLUNYNVISMJA-LURJTMIESA-N 303.214 4.078 50 40 DIGB CCCC/C(=N\NC(=O)c1ccc(OC)cc1)c1ccccc1 5417536 PJQIUNUJXQWPLX-CZIZESTLSA-N 310.397 4.020 50 40 DIGB Cc1ccc(C2=C(C#N)C(=O)N[C@](C)(c3ccc(C)cc3)C2)cc1 5543802 LOOLUTAGRGNFEY-NRFANRHFSA-N 316.404 4.016 50 40 DIGB CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)[C@H](C)Cl 223827110 WKPSNINMXDKGPS-RYUDHWBXSA-N 309.837 4.331 50 40 DIGB CCc1ccc(NC(=O)/C(C#N)=C\c2c[nH]c3ccccc23)cc1 17053269 XMCKQKNBSVSGSK-PTNGSMBKSA-N 315.376 4.276 50 40 DIGB S=C=NC[C@@H]1C[C@]2(Cl)C[C@]1(Cl)C(Cl)=C2Cl 104327041 BEUGPYCXRWCVEJ-WLGLDCGKSA-N 303.041 4.157 50 40 DIGB CCn1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)c2ccccc21 409360344 DWJKATCNDAYSOA-DHDCSXOGSA-N 316.360 4.454 50 40 DIGB CN(C)c1ccc(/C=C/C(=C(C#N)C#N)c2cccs2)cc1 39379146 RSJYNBBIFIPURZ-JXMROGBWSA-N 305.406 4.328 50 40 DIGB C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1cccs1 4579646 DSKSKMAUTSDJMX-LDADJPATSA-N 300.427 4.200 50 40 DIGB CC(/C=C/c1ccccc1)=N\NC(=O)[C@H]1C[C@@]1(C)c1ccccc1 13111039 CCYDCULYFMGQFW-VJFUGCSVSA-N 318.420 4.170 50 40 DIGB N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)O 2277902 MRUOECHWJXJXPR-UITAMQMPSA-N 308.120 4.245 50 40 DIGB N#CC(C#N)=Cc1ccc(OCc2c(F)cccc2Cl)cc1 5305966 IIZNIWSHVYITCE-UHFFFAOYSA-N 312.731 4.489 50 40 DIGB Cc1ccccc1CSCC(=O)NN=C1CCCCCCC1 408837715 LYQSLBOFMOTHHM-UHFFFAOYSA-N 318.486 4.445 50 40 DIGB O=C(CCCC[C@@H]1CCSS1)NCCc1ccccc1 79193684 OMJFIOUEIFJIKA-OAHLLOKOSA-N 309.500 4.059 50 40 DIGB biogenic C[C@H](NC(=O)/C(C#N)=C/c1ccc(Cl)cc1)c1ccccc1 1450846 OFHVIGSJTYABKZ-XDUBLRSXSA-N 310.784 4.124 50 40 DIGB N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)NC1CCCCC1 3313804 NNHNADUMIZXULM-UKTHLTGXSA-N 322.330 4.061 50 40 DIGB O=C(N/N=C/c1ccccc1Cl)c1ccc2ccccc2c1 4503312 JTIXGDKXDFDCFT-UDWIEESQSA-N 308.768 4.257 50 40 DIGB COc1ccc(/C(C#N)=C/c2c[nH]c3ccccc23)cc1OC 6457888 HKGQRKMBBSEUMP-NTEUORMPSA-N 304.349 4.249 50 40 DIGB O=C(O)CC12C[C@H]3C[C@H](C1)CC(P(=O)(Cl)Cl)(C3)C2 102967120 ILBVISJVVLBEQS-WWAQEKKBSA-N 311.145 4.471 50 40 DIGB O=C(Nc1ccc(N2CCCC2)cc1)[C@@H](Cl)c1ccccc1 1393214 IMVSMUOZFQLCDA-KRWDZBQOSA-N 314.816 4.205 50 40 DIGB aggregator CCCCCCC[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 1899885 UUJGSGWMSHMGSI-ZDUSSCGKSA-N 316.445 4.330 50 40 DIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cccs1 2644214 CSIHKUKNLQCYLA-DHZHZOJOSA-N 302.786 4.256 50 40 DIGB N#C/C(=C/c1ccc2c(c1)OCO2)c1nc2ccccc2s1 4981607 PUVADSIVYFBGRV-GHXNOFRVSA-N 306.346 4.089 50 40 DIGB CCCCOC[P@@](=O)(c1ccccc1)c1ccc(Cl)cc1 103127318 XRYLCHVWACZDAW-OAQYLSRUSA-N 322.772 4.428 50 40 DIGB CC(/C=C/c1ccccc1F)=N/NC(=O)c1ccc(Cl)cc1 59804 PHVQXDKFZLPOFW-ZRXHKDNGSA-N 316.763 4.298 50 40 DIGB CCN(C(=O)CCl)c1nc(-c2ccc(Cl)cc2)cs1 932757 CIPJCPMYJFTKOD-UHFFFAOYSA-N 315.225 4.055 50 40 DIGB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N/N=C/c1ccccc1Cl)C2 1448382 VSYQPZXMQOGAJS-UIBRDTJHSA-N 316.832 4.173 50 40 DIGB O=P(CCNc1ccccc1)(c1ccccc1)c1ccccc1 3214576 XMJDQBNIKWRTSD-UHFFFAOYSA-N 321.360 4.113 50 40 DIGB c1ccc([PH](c2ccccc2)(c2ccccc2)C2CCC2)cc1 104130552 UTHXCIBPCYWUND-UHFFFAOYSA-N 318.400 4.265 50 40 DIGB C[C@]1(CBr)[C@@H]2CC[C@@]1(C)c1nc3ccccc3nc12 11757632 ZRRCOFSLOVSUTR-VFVAKGGASA-N 317.230 4.180 50 40 DIGB CC/C(Cc1ccccc1)=N/NC(=O)c1cccc(Cl)c1 20551512 RWOTVKTUZYOATG-MNDPQUGUSA-N 300.789 4.079 50 40 DIGB CCCCCCCCCCCC[S@@](=O)C[C@H](O)CCl 100243454 JUTNQOYEGCJPJS-BEFAXECRSA-N 310.931 4.256 50 40 DIGB CCOc1ccccc1/C=C(\C#N)c1ccc(OC)c(OC)c1 408583839 XIHVDNYEXDZQMK-LFIBNONCSA-N 309.365 4.167 50 40 DIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 173418 BJEZMFVFXILCGT-UXBLZVDNSA-N 321.163 4.441 50 40 DIGB CC1(C)c2ccccc2N(C(=O)CSC#N)c2ccccc21 2259062 JYEMTCGSLOUGQN-UHFFFAOYSA-N 308.406 4.205 50 40 DIGB CCC/C=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12 5614626 KKFUTAYYBFKOPW-BKUYFWCQSA-N 317.392 4.418 50 40 DIGB COc1cccc2cc(/C=C(\C#N)C(=O)c3ccccc3)oc12 6048090 IDPJPAIKZPBMKF-RVDMUPIBSA-N 303.317 4.231 50 40 DIGB COc1ccc2[nH]cc(C(=O)/C(C#N)=C/c3ccccc3F)c2c1 40139904 LVVMYVFMYRJTNK-MDWZMJQESA-N 320.323 4.105 50 40 DIGB CCCOc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1 408933565 AVARFIUDXJCPPK-ATVHPVEESA-N 320.392 4.330 50 40 DIGB CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1 13381968 JSVKPURYBKWFAQ-LGMDPLHJSA-N 320.392 4.330 50 40 DIGB O=C(Cl)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 16385815 LFBZJRHKZCIEOP-ZZXKWVIFSA-N 312.108 4.287 50 40 DIGB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1C 32752066 ZLGDGYQGFDIZHU-GHRIWEEISA-N 318.376 4.106 50 40 DIGB CCCCCCCCCCS(=O)(=O)C[C@@H](Cl)CCl 100244456 XVBBBSONUNGAII-ZDUSSCGKSA-N 317.322 4.388 50 40 DIGB Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1C 408785499 GPMHZSSGGHSKDG-NVNXTCNLSA-N 315.214 4.469 50 40 DIGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc(C)cc1 408859604 ODCCBROCZNHZQO-LTGZKZEYSA-N 308.425 4.469 50 40 DIGB O=C(CCCCCBr)c1ccccc1OC(F)F 575361088 QGNNGGGDZBDKET-UHFFFAOYSA-N 321.161 4.426 50 40 DIGB C[C@@H](CCl)OP(=O)(O[C@@H](C)CCl)[C@H](C)CCl 4578181 AOTIRVBHFRETEJ-XHNCKOQMSA-N 311.573 4.095 50 40 DIGB O=C(N/N=C1\C[C@H]2CC[C@@H]1C2)c1sc2ccccc2c1Cl 5379515 KRCOZMMTYYJFFV-SCBPFIOESA-N 318.829 4.461 50 40 DIGB