smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(C=Nc2oc(-c3ccccc3)cc2C#N)ccc1O 254533723 SPMGIQQWRRFVNY-UHFFFAOYSA-N 318.332 4.283 30 30 DIEC CN1C(=O)C(=Nc2cc(Cl)cc(Cl)c2)c2ccccc21 1082839319 YWXVLIMRXPAHNA-UHFFFAOYSA-N 305.164 4.091 30 30 DIEC C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21CC 15659895 VDKWHNVDYOVIIX-MJCUULBUSA-N 310.437 4.003 30 30 DIEC in-vitro CS/C(=N\C#N)SCOc1c(Cl)cccc1Cl 4716383 FWTXKQLCTNDYMQ-GXDHUFHOSA-N 307.227 4.263 30 30 DIEC C#CCSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 3131878 PYTXDNIRJFSTAE-UHFFFAOYSA-N 324.352 4.426 30 30 DIEC C=C[C@]1(C)CC[C@]2(C)[C@@H](C1)C(=O)C[C@H]1[C@@]3(C)CCC[C@@]12OC3=O 100058491 HWECMADGHQKSLK-KZGWPWDHSA-N 316.441 4.060 30 30 DIEC biogenic C=CCSc1c2c(c(C#N)c3nc4ccccc4n13)CCC2 4334911 QPCPYHQICHUDAI-UHFFFAOYSA-N 305.406 4.126 30 30 DIEC CCCCCCCC[C@@H](O)[C@H](O)CCCCCCCCO 100298178 RGQVEMVVEFTMJD-QZTJIDSGSA-N 302.499 4.182 30 30 DIEC C=CCOc1ccc([C@@H]2[C@H]3CCc4ccccc4C3=NN2C)cc1 102927701 RVYAOBRCMZFBAI-PZJWPPBQSA-N 318.420 4.205 30 30 DIEC N#Cc1c(F)cccc1NC(=O)c1ccc(Cl)cc1Cl 139255 HICCRVPOYOCGOL-UHFFFAOYSA-N 309.127 4.256 30 30 DIEC Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2nc[nH]c2c1 18060894 ZILWZWGDYXPVHY-UBKPWBPPSA-N 306.152 4.326 30 30 DIEC COC(=O)c1ccccc1/N=C/[C@H](C)Cc1ccc(OC)cc1 33650094 DCVGBQPSFNIPPI-GNUZOCDUSA-N 311.381 4.063 30 30 DIEC C#CCc1cc(COC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c(C)o1 2012722 WXBHKHTWAPLUSQ-IAGOWNOFSA-N 300.398 4.045 30 30 DIEC COc1ccc2cc(CNCc3cccc(C#N)c3)ccc2c1 11104418 GIDMULAYZSEHMM-UHFFFAOYSA-N 302.377 4.010 30 30 DIEC CCCCCCCCCCCCCC(=O)NCCC(=O)OC 117783641 RIHVKOIRUPGGDH-UHFFFAOYSA-N 313.482 4.367 30 30 DIEC N#Cc1c(Cl)cccc1Oc1ccc(-c2ccnc(N)n2)cc1 142747 RAKXIQYAMQHBCI-UHFFFAOYSA-N 322.755 4.043 30 30 DIEC C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(OC)cc(C)c4[C@H]3CC[C@@]21C 4369965 SDXFYMDYTAJWRS-NGVUMRSOSA-N 324.464 4.224 30 30 DIEC C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(OC)cc(C)c4[C@H]3CC[C@]21C 4369962 SDXFYMDYTAJWRS-NJKFVAIMSA-N 324.464 4.224 30 30 DIEC C[C@]12CC[C@@H]3[C@H](C[C@@H](F)C4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O 2265351772 RPWPWKCZEURREI-NLGVSFGESA-N 304.405 4.035 30 30 DIEC C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\O)CC[C@@]43C)[C@H]1CC[C@@H]2O 2265351298 CCDNGLFWWXCDAW-UOSLJPPXSA-N 303.446 4.140 30 30 DIEC N#Cc1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 151595 KASIKKPOWBAPGT-UHFFFAOYSA-N 321.258 4.101 30 30 DIEC N#C/C(=N\Nc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 101016536 ULSXMDLEBCCDJE-XSFVSMFZSA-N 318.163 4.168 30 30 DIEC COc1ccc(C(=O)/C=C/Nc2ccc(Cl)cc2F)cc1 16216152 PEISTUARQFOCKN-CMDGGOBGSA-N 305.736 4.296 30 30 DIEC C=CCOc1ccc([C@H]2[C@H]3CCc4ccccc4C3=NN2C)cc1 13468758 RVYAOBRCMZFBAI-FPOVZHCZSA-N 318.420 4.205 30 30 DIEC C/C(=N\OC(=O)c1ccc(Cl)cc1)c1ccc(F)c(F)c1 92246 NYPDKJJQIWNCFQ-DJKKODMXSA-N 309.699 4.199 30 30 DIEC C=C[C@](C)(CCCC(C)(C)O)C[C@H](O)c1ccc(OC)cc1 22005347 BNSRMGLMWXGBOT-PKOBYXMFSA-N 306.446 4.252 30 30 DIEC COC(=O)c1ccccc1/N=C/[C@@H](C)Cc1ccc(OC)cc1 33650093 DCVGBQPSFNIPPI-ZXOFLVKFSA-N 311.381 4.063 30 30 DIEC COc1cc2c(cc1OC)C(=O)C(=CC=Cc1ccccc1)C2 2265239628 IPLAHEVBLYESPH-UHFFFAOYSA-N 306.361 4.082 30 30 DIEC COc1ccc(C(=NO)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 253678148 NLXXWGSPQSMEKT-JKSUJKDBSA-N 301.773 4.331 30 30 DIEC C[C@]12CC[C@@H]3[C@@H](C[C@@H](F)C4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O 2265351774 RPWPWKCZEURREI-RHWCBAHRSA-N 304.405 4.035 30 30 DIEC CCCCCCCCCCCCOCCCNCCCN 111406057 RQPAMHIHBHFBJN-UHFFFAOYSA-N 300.531 4.252 30 30 DIEC C/C(=N\OCc1ccc(Cl)cc1)c1ccc2c(c1)CCO2 168300 VZEGWMZAMIXBAJ-XDHOZWIPSA-N 301.773 4.216 30 30 DIEC O=C(Nc1ccccc1)ON=C1CCCc2c1[nH]c1ccccc21 254309353 NJLYNWZIRWDLSC-UHFFFAOYSA-N 319.364 4.457 30 30 DIEC COc1ccc(C(=NO)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 253678143 NLXXWGSPQSMEKT-HZPDHXFCSA-N 301.773 4.331 30 30 DIEC CCOC(=O)c1sc(=S)n(-c2ccccc2)c1/N=C(/C)O 154547 NFYVPDIMLJWDQL-UHFFFAOYSA-N 322.411 4.053 30 30 DIEC C#CCc1cc(COC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c(C)o1 2012723 WXBHKHTWAPLUSQ-SJORKVTESA-N 300.398 4.045 30 30 DIEC C[C@]12CC[C@@H]3[C@@H](C[C@@H](F)C4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O 2265351769 RPWPWKCZEURREI-BGUWFUEQSA-N 304.405 4.035 30 30 DIEC C[C@H](Cc1cccc(C(F)(F)F)c1)NCC#Cc1ccccc1 33867280 FCNDNDLSSPPNRJ-OAHLLOKOSA-N 317.354 4.278 30 30 DIEC C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)/C(=N/O)CC[C@H]12 2265351318 CWINRPKWTQFSKW-POAVVJPESA-N 305.462 4.220 30 30 DIEC CC(=O)C1=CN(c2ccccc2)C=C(C(C)=O)C1c1ccccc1 161098 UDEVTWPVQPLQNN-UHFFFAOYSA-N 317.388 4.236 30 30 DIEC in-vitro CON=Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 254499557 BPCHSXQZLURBNB-UHFFFAOYSA-N 306.705 4.021 30 30 DIEC O=C1CCCC(OC(=O)c2cccc(C(F)(F)F)c2)=C1Cl 149089 OHVKWQNOVARMIX-UHFFFAOYSA-N 318.678 4.066 30 30 DIEC Cc1ccc2c(c1)C(=NOC(=O)c1ccc(F)cc1)CCS2 254496786 BVQOBLHITLCPGB-UHFFFAOYSA-N 315.369 4.191 30 30 DIEC CC1(C)CC(=O)C=C(SCc2ccc([N+](=O)[O-])cc2)S1 126598 RDYJMJSZTMGPBC-UHFFFAOYSA-N 309.412 4.154 30 30 DIEC Cc1cccc(C(=O)ON=C2CCSc3ccc(C)cc32)c1 254499545 BLMQMBFIZJYFPY-UHFFFAOYSA-N 311.406 4.360 30 30 DIEC Cc1ccc(C(=O)ON=C2CCSc3ccc(C)cc32)cc1 254623789 GUMJUHLIYYTNJZ-UHFFFAOYSA-N 311.406 4.360 30 30 DIEC CN1N=C(c2ccccc2)CS/C1=N\c1ccccc1Cl 4388970 LESYMSROIMYDFC-VLGSPTGOSA-N 315.829 4.410 30 30 DIEC C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2C(=O)O 2265347492 YQACAXHKQZCEOI-ODQAOENWSA-N 316.441 4.219 30 30 DIEC O=C(/C(=N/N=C/c1cccs1)c1ccccc1)c1ccccc1 4693099 MUDOBYXNAYUBCX-CMSFVGQCSA-N 318.401 4.454 30 30 DIEC N#CCCN(CCOc1ccccc1)c1cccc(Cl)c1 199979950 CQVRZYWGMVHWSG-UHFFFAOYSA-N 300.789 4.139 30 30 DIEC C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](C(=O)O)CC[C@@H]12 253648949 YQACAXHKQZCEOI-WDYSCTGBSA-N 316.441 4.219 30 30 DIEC c1ccc(CN=C(NC2CCCCC2)NC2CCCCC2)cc1 2034109 NXPDAEGDDOQXPD-UHFFFAOYSA-N 313.489 4.387 30 30 DIEC C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3[C@@H](C)C[C@]21C 247951990 MLZOUZLJIKTUIT-CPUZAZTQSA-N 324.464 4.162 30 30 DIEC CC(C)(C)c1ccc(N/C(S)=N/CCc2ccccn2)cc1 13658900 MWJWDTJRFYHACU-UHFFFAOYSA-N 313.470 4.320 30 30 DIEC CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)O)cc3)oc12 72233086 DAOQXJMMMMXFAZ-UHFFFAOYSA-N 306.321 4.188 30 30 DIEC CC(=O)CSc1sc(C(C)=O)c(-c2ccccc2)c1C#N 149940 PWDVSXGRJDZCOQ-UHFFFAOYSA-N 315.419 4.170 30 30 DIEC Cc1ccc(N(C)/N=C/C2=[N+](C)c3ccccc3C2(C)C)cc1 6070890 DMAKVGLLTBTPRM-UHFFFAOYSA-N 306.433 4.123 30 30 DIEC CCCCCCC1=C/C(=N\C#N)C(Br)=C/C1=N\C#N 100337187 WQEVWMMKQKXZRU-JIBZRZDWSA-N 319.206 4.020 30 30 DIEC Cc1nc(-c2ccccc2Cl)sc1C(=O)C=CN(C)C 2265278945 IKLGZRMGCHJGFL-UHFFFAOYSA-N 306.818 4.030 30 30 DIEC CON=C1C[C@H](C)Cc2nnc(-c3ccc(Cl)c(C)c3)cc21 1082839067 SROVBKHHLXJYRF-SNVBAGLBSA-N 315.804 4.038 30 30 DIEC C[C@H](C=O)[C@H]1CC[C@H]2[C@@H](OC(=O)c3ccccc3)CCC[C@]12C 26522170 DCXYXPCMRLYABB-RDGCENLJSA-N 314.425 4.263 30 30 DIEC CCCCCCCCCc1ccc(OP(=O)(O)O)cc1 100301348 BIUMPKSWMFBEOF-UHFFFAOYSA-N 300.335 4.451 30 30 DIEC Cc1cccc(Cl)c1NC(=S)NCc1ccc(C#N)cc1 97733 LSUDFMSYHQXNQM-UHFFFAOYSA-N 315.829 4.007 30 30 DIEC Cc1c(Cl)cccc1/N=C1\SCC(=O)N1Cc1ccco1 1041709 MVHMWLMRWSUVPI-ICFOKQHNSA-N 320.801 4.005 30 30 DIEC COc1ccc(Cl)cc1Nc1nc(C(C)=NO)c(C)s1 1082838147 GUXFQQIRVYKRJM-UHFFFAOYSA-N 311.794 4.055 30 30 DIEC CCCOc1ccc(C=Nc2ccc(N3CCOCC3)cc2)cc1 254403710 DWYFLTLEQRBTAB-UHFFFAOYSA-N 324.424 4.063 30 30 DIEC CON=C1C[C@H](C)Cc2nnc(-c3ccc(C(C)C)cc3)cc21 1082838144 FNGLMYAOLFNVLY-CYBMUJFWSA-N 309.413 4.200 30 30 DIEC FC(F)(F)c1cnc(NN=C2CCSCC2)c(Cl)c1 126955 OHEDBYCYLXJLNM-UHFFFAOYSA-N 309.744 4.049 30 30 DIEC C#CCOC(=O)c1ccc(CSc2ccc(Cl)cc2)o1 3169964 NJYDPAJBKAFEOS-UHFFFAOYSA-N 306.770 4.015 30 30 DIEC CCCCCCCCCCCCCCc1c(N)nc(N)nc1N 111903202 ZYBZGAVYYLHNQK-UHFFFAOYSA-N 321.513 4.467 30 30 DIEC Cc1cc(C)cc(NC(=O)N(CCC#N)Cc2ccccc2)c1 4325149 VWMOPUQFQSLBSB-UHFFFAOYSA-N 307.397 4.251 30 30 DIEC C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)/C(=N/O)CC[C@@H]12 255277254 WNJVMVZIGIACNN-GTRWZKQXSA-N 303.446 4.140 30 30 DIEC COc1ccc(C(=NO)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 253678126 NLXXWGSPQSMEKT-CVEARBPZSA-N 301.773 4.331 30 30 DIEC COC(=O)c1sc(SC)c(C#N)c1-c1ccc(Cl)cc1 95303 UTIJWORNVJAYLY-UHFFFAOYSA-N 323.826 4.449 30 30 DIEC Cn1nc(C(F)(F)F)c(-c2ccccc2)c1/N=C/c1ccc[nH]1 110579 IUSZJHZTHPIXBB-UFFVCSGVSA-N 318.302 4.185 30 30 DIEC FC(F)(F)c1csc(N/N=C/c2ccccc2Cl)n1 4394704 ZWXHVYWKWUTFSU-FZSIALSZSA-N 305.712 4.261 30 30 DIEC O=C1C=C(Sc2ccccc2)C(=O)C=C1Sc1ccccc1 1599288 CQBMMTIVMOJHSO-UHFFFAOYSA-N 324.426 4.491 30 30 DIEC Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)C=CN(C)C 2265271938 LKNXOGRQXOTZQQ-UHFFFAOYSA-N 306.818 4.030 30 30 DIEC Fc1cccc(Cl)c1/C=N/c1cccc(-c2ncon2)c1 107147 NPRYVVUKWCLRCZ-QGMBQPNBSA-N 301.708 4.280 30 30 DIEC Cc1nc(S)c(C#N)c(C)c1Cc1c(F)cccc1Cl 35606109 DLVBTRXKJOAQBV-UHFFFAOYSA-N 306.793 4.242 30 30 DIEC C#CCc1cc(COC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c(C)o1 2012724 WXBHKHTWAPLUSQ-DLBZAZTESA-N 300.398 4.045 30 30 DIEC CCCc1ccc(C(=O)Oc2cc(F)c(C#N)c(F)c2)cc1 44136994 HEFCYPVDRJVTRA-UHFFFAOYSA-N 301.292 4.008 30 30 DIEC N#Cc1c(Cl)nc2ccc(Br)cc2c1Cl 220959388 NFMFHDSCFZKRNZ-UHFFFAOYSA-N 301.958 4.176 30 30 DIEC CC(=NO)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@@H]4[C@H]3CC[C@@]12C 2265351558 MANXDDAHFLYUJZ-YBRIYBKASA-N 317.473 4.386 30 30 DIEC FC(F)(F)c1cccc(NN=C2C3CC4CC(C3)CC2C4)n1 126987 JVMQRKGCVWCGQF-UHFFFAOYSA-N 309.335 4.324 30 30 DIEC COc1ccc(/C=C2\CSc3ccc(F)cc3C2=O)cc1 111170 UJXZCHUIGOGYDK-XYOKQWHBSA-N 300.354 4.206 30 30 DIEC Cc1nc(Sc2ccc(Cl)cc2)c(C#N)c(C)c1[N+](=O)[O-] 75013 SIGBCXXRVQFZBV-UHFFFAOYSA-N 319.773 4.283 30 30 DIEC CCCCNC(=O)O/N=C(\C)c1ccc2cc(OC)ccc2c1 4390310 GPAZSKKKNXDBTG-DEDYPNTBSA-N 314.385 4.099 30 30 DIEC CC(C)(C)OC(=O)N1CCC([C@H](C#N)c2ccc(F)cc2)CC1 261246029 YBKORHOHVBAQQC-MRXNPFEDSA-N 318.392 4.080 30 30 DIEC O=C(C=Cc1ccc2c(c1)OCO2)Sc1ccc(Cl)cc1 2265259428 OHMLUUXZYIXGOJ-UHFFFAOYSA-N 318.781 4.401 30 30 DIEC O=C1ON=C(c2ccccc2)/C1=C/c1c(Cl)cccc1Cl 75678 HUKLZPWEPCNLIB-XFXZXTDPSA-N 318.159 4.338 30 30 DIEC CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 306120891 YLFRRPUBVUAHSR-BTEPJHDCSA-N 314.469 4.435 30 30 DIEC biogenic Clc1ccc(CN=Cc2c(Cl)nc3sccn23)cc1 2265276229 YSHBUXOWZURHDZ-UHFFFAOYSA-N 310.209 4.322 30 30 DIEC C=C[C@](C)(CCCC(C)(C)O)C[C@@H](O)c1ccc(OC)cc1 22005350 BNSRMGLMWXGBOT-IEBWSBKVSA-N 306.446 4.252 30 30 DIEC Oc1ccc(Cl)cc1N=Cc1c(Cl)nc2sccn12 254876568 SOHVPEOOYMOXKL-UHFFFAOYSA-N 312.181 4.159 30 30 DIEC C[C@@H](NC(=O)[C@H](C#N)C(C)(C)C)c1ccc(Cl)cc1Cl 43068559 YEJGPFZQLRMXOI-SKDRFNHKSA-N 313.228 4.356 30 30 DIEC in-vitro COc1ccc2c(c1)c(C(C)(C)C#N)cn2C(=O)OC(C)(C)C 91297524 YIESVYJWQYZJPD-UHFFFAOYSA-N 314.385 4.234 30 30 DIEC Cc1nc(-c2cccc(Cl)c2)sc1C(=O)C=CN(C)C 2265279034 BYHLWSZUYNZEEO-UHFFFAOYSA-N 306.818 4.030 30 30 DIEC Cc1nn(CCC#N)c(C)c1Cc1c(Cl)cccc1Cl 2148867 QGUKAEARYVRREJ-UHFFFAOYSA-N 308.212 4.311 30 30 DIEC COc1ccc(C/N=C/c2cc(Cl)cc(Cl)c2O)cc1 145111 MLNWBYMLDBYZHG-GIJQJNRQSA-N 310.180 4.327 30 30 DIEC CN(C)/C=C/C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O 80818 PKMHYOFMRMFOQW-MDZDMXLPSA-N 303.446 4.245 30 30 DIEC COc1ccc([C@H]2C[C@H]2C(C)=NOC(=O)c2cccs2)cc1 4013424 RBJRCOJXLAWCHM-LSDHHAIUSA-N 315.394 4.093 30 30 DIEC N#CC(c1ccccc1)(c1ccccc1)c1ccc([N+](=O)[O-])cc1 4367846 KVNUSGZJFIWFST-UHFFFAOYSA-N 314.344 4.453 30 30 DIEC CC(=NO)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@@H]4[C@H]3CC[C@]12C 2265351555 MANXDDAHFLYUJZ-JGOWZFCDSA-N 317.473 4.386 30 30 DIEC C=CCOc1ccc([C@@H]2[C@@H]3CCc4ccccc4C3=NN2C)cc1 4388979 RVYAOBRCMZFBAI-TZIWHRDSSA-N 318.420 4.205 30 30 DIEC CC1(C)CC(=O)C2=C(C1)Oc1ccc(Br)cc1C2 138656 QQIVMYHTGPHAKS-UHFFFAOYSA-N 307.187 4.027 30 30 DIEC C=C[C@@]1(C)CC[C@@H]2[C@@]3(C)CCC[C@](C)(C(=O)O)[C@@H]3CC[C@@]2(O)C1 96086291 PJBQQIKTIGUTST-PDURBABISA-N 320.473 4.401 30 30 DIEC Cc1ccsc1/C=C/C(=O)O/N=C/c1c(F)cccc1Cl 3179953 LQXLYJOSFRUASZ-LTIZGNAXSA-N 323.776 4.440 30 30 DIEC N#Cc1ccc2c(c1)C[C@@H](c1ccc(Br)s1)O2 22003038 XFRUMVRIKPTAKH-NSHDSACASA-N 306.184 4.058 30 30 DIEC COc1ccc(C(=NO)[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1 253678135 NLXXWGSPQSMEKT-HOTGVXAUSA-N 301.773 4.331 30 30 DIEC C=CCSc1nnc(C)c(C=CNc2ccc(Cl)cc2)n1 2265276940 XPIJVHKDHPOMEO-UHFFFAOYSA-N 318.833 4.194 30 30 DIEC C[C@]12CC[C@H]3[C@@H](CCC4=C(Cl)C(=O)CC[C@@]43C)[C@H]1CC[C@@H]2O 2265306977 KCZCIYZKSLLNNH-SWVUVMCHSA-N 322.876 4.446 30 30 DIEC O=C1C(Cl)=C(Oc2ccccc2Cl)C(=O)c2ccccc21 163523 CRPGDSHQWRWYFO-UHFFFAOYSA-N 319.143 4.248 30 30 DIEC C[C@H](C=O)[C@H]1CC[C@@H]2[C@@H](OC(=O)c3ccccc3)CCC[C@@]21C 26522164 DCXYXPCMRLYABB-ILCCUAOLSA-N 314.425 4.263 30 30 DIEC F[C@@H]([C@@H](F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F 111898642 JTAGPVKELVRAHG-NHYDCYSISA-N 302.058 4.058 30 30 DIEC C=C1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@@H](O)[C@@]3(C)CC[C@@H]12 118912704 KMNSRETXNDRTCN-YZOVGUKHSA-N 300.442 4.045 30 30 DIEC ON=C[C@@H](c1cccs1)c1ncc(C(F)(F)F)cc1Cl 725274122 WPNYDOBITWHMFC-QMMMGPOBSA-N 320.723 4.407 30 30 DIEC CN(C)c1ccc(/C=N/Nc2cccc(C(F)(F)F)c2)cc1 4307028 PBLPPWNJYXPCQO-RGVLZGJSSA-N 307.319 4.217 30 30 DIEC C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3[C@H](C)C[C@@]21C 247951999 MLZOUZLJIKTUIT-ZDDYTHSTSA-N 324.464 4.162 30 30 DIEC Oc1ccccc1C=Nc1ncc(C(F)(F)F)cc1Cl 254652523 BMYHQEKGIRCDMV-UHFFFAOYSA-N 300.667 4.210 30 30 DIEC Cc1nc(-c2ccccc2)sc1C(=O)C=Cc1cccnc1 2265239635 YQTAFKDHGRSNSR-UHFFFAOYSA-N 306.390 4.410 30 30 DIEC CCCCCCCCc1ccc(CCOS(C)(=O)=O)cc1 147915006 JDFKJMYGKUSROO-UHFFFAOYSA-N 312.475 4.108 30 30 DIEC in-vitro N#Cc1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1 117533 ZRGFZYHPHXZFPB-UHFFFAOYSA-N 312.678 4.204 30 30 DIEC O=C(ON=C1C2CC3CC(C2)CC1C3)c1ccc(Cl)cc1 79958 SSGGIHYWGOXWIG-UHFFFAOYSA-N 303.789 4.309 30 30 DIEC CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(C#N)cc1 13463999 FHRNJIPPVQTXLM-MFOYZWKCSA-N 321.767 4.018 30 30 DIEC c1ccc(-c2csc(NN=C3Cc4ccccc4C3)n2)cc1 80071 IGQYIXVNRHZKSB-UHFFFAOYSA-N 305.406 4.377 30 30 DIEC CCCCCCCCCCCC(=O)O[C@H](C)COC[C@H](C)O 60258426 SPKKNBYAYDORNI-DLBZAZTESA-N 316.482 4.236 30 30 DIEC CC(=NO)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@@H]4[C@@H]3CC[C@@]12C 2265351556 MANXDDAHFLYUJZ-OHZAXKLOSA-N 317.473 4.386 30 30 DIEC O=Cc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1 2265270043 CXWUVXDIHQERNK-UHFFFAOYSA-N 315.166 4.158 30 30 DIEC C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\O)CC[C@@]43C)[C@H]1CC[C@H]2O 2265351297 CCDNGLFWWXCDAW-UOAIQMCDSA-N 303.446 4.140 30 30 DIEC O=C(ON=C1CCCc2c1[nH]c1ccccc21)c1cccs1 2265276424 PNZYFMPLVSJDLI-UHFFFAOYSA-N 310.378 4.127 30 30 DIEC CC1SCC(=NOCc2c(F)cccc2Cl)CS1 141632 RUJRCVXAEJRMNR-UHFFFAOYSA-N 305.827 4.178 30 30 DIEC CCC[C@H]1CC[C@H](C(=O)Oc2cc(F)c(C#N)c(F)c2)CC1 248215510 GCEMHNPUXQDXIX-HAQNSBGRSA-N 307.340 4.348 30 30 DIEC Cc1ccc(S(=O)(=O)O[C@@H]2CCC[C@H]2c2ccccc2)cc1 95218191 SGVUYDDHWKAZPN-ZWKOTPCHSA-N 316.422 4.037 30 30 DIEC COc1ccc([C@H]2C[C@@H]2C(C)=NOC(=O)c2cccs2)cc1 4013426 RBJRCOJXLAWCHM-HUUCEWRRSA-N 315.394 4.093 30 30 DIEC CC(=NO)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@@H]4[C@@H]3CC[C@]12C 2265351557 MANXDDAHFLYUJZ-VVNNMEHBSA-N 317.473 4.386 30 30 DIEC Cc1nc(-c2cc(C#N)c(NCc3ccccc3)nc2C)cs1 20413508 DYCQOWOEXLATMR-UHFFFAOYSA-N 320.421 4.306 30 30 DIEC C/C(=N\Nc1nc(-c2ccccc2)cs1)c1ccc(C)nc1 4300511 AVHSCWWRWMKKKL-DEDYPNTBSA-N 308.410 4.350 30 30 DIEC COc1ccc(C(=O)O/N=C(/c2cccs2)C(C)(C)C)cc1 4709842 LEXNOGCVKZTHEO-SDXDJHTJSA-N 317.410 4.364 30 30 DIEC O=C(c1ccccc1)N(O)c1ccc2c(c1)Cc1ccccc1-2 26507611 JGUPIJPEVJYUIN-UHFFFAOYSA-N 301.345 4.294 30 30 DIEC O=[N+]([O-])c1cc(C=NO)ccc1SCc1ccc(Cl)cc1 254824954 PUWJSEKTAVTYGR-UHFFFAOYSA-N 322.773 4.349 30 30 DIEC CSc1sc(C(=O)O)c(-c2ccccc2Cl)c1C#N 124843 MLUKYONFOFNACF-UHFFFAOYSA-N 309.799 4.360 30 30 DIEC C=C1C[C@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@]2(C)O 253497709 HRVOUMJOOZFBIQ-IPTGWOMKSA-N 314.469 4.435 30 30 DIEC CON=Cc1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 254761948 ZGTYADFJSARNOK-UHFFFAOYSA-N 306.705 4.021 30 30 DIEC O=C(O/N=C1\CSCc2ccccc21)c1ccccc1Cl 13464564 MWCIRKKYGMGUEU-OBGWFSINSA-N 317.797 4.148 30 30 DIEC O=C1/C(=C/c2c(F)cccc2Cl)COc2ccc(F)cc21 107422 CVATWJAFCPJZOS-RMKNXTFCSA-N 306.695 4.277 30 30 DIEC C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)/C(=N/O)CC[C@@H]12 2265351317 CWINRPKWTQFSKW-CCQDCYFTSA-N 305.462 4.220 30 30 DIEC O=C(Nc1cccc(Cl)c1)O/N=C1/CCCc2occc21 4366234 GSTULNGHGHFFKQ-AQTBWJFISA-N 304.733 4.222 30 30 DIEC CC(C)(C)c1ccc(NC(=O)NCc2ccc(C#N)cc2)cc1 158070 WTDDBGZAOPYOCO-UHFFFAOYSA-N 307.397 4.177 30 30 DIEC N#Cc1c(F)ccc(NC(=O)Nc2ccc(Cl)cc2)c1F 140855 HQQAUEBMISGFDH-UHFFFAOYSA-N 307.687 4.134 30 30 DIEC CCCCCCCCCCCC(=O)O[C@@H](C)COC[C@H](C)O 60258422 SPKKNBYAYDORNI-IRXDYDNUSA-N 316.482 4.236 30 30 DIEC C=C1C[C@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@]2(C)O 253497710 HRVOUMJOOZFBIQ-RONQAZRQSA-N 314.469 4.435 30 30 DIEC O=C1/C(=C/c2ccc(F)cc2)COC/C1=C\c1ccc(F)cc1 4709870 WKMOLEZJQBCNIK-KAVGSWPWSA-N 312.315 4.031 30 30 DIEC C(#Cc1cncc(-c2nc(-c3ccccc3)no2)c1)c1ccccc1 170206 ZFZJCSURLHAAFP-UHFFFAOYSA-N 323.355 4.198 30 30 DIEC CN(/N=C/c1ccccc1)c1ncc(C(F)(F)F)cc1Cl 4389848 RFRYGOHMSMJTAI-DNTJNYDQSA-N 313.710 4.224 30 30 DIEC CCCCCCCCCc1ccccc1OS(=O)(=O)O 31706812 ORJDWQVKIMZEMX-UHFFFAOYSA-N 300.420 4.161 30 30 DIEC O=C1C(Cl)=C(Oc2ccc(Cl)cc2)C(=O)c2ccccc21 162532 QYMZILLOGDHSFB-UHFFFAOYSA-N 319.143 4.248 30 30 DIEC C#CCc1cc(COC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c(C)o1 2012725 WXBHKHTWAPLUSQ-IRXDYDNUSA-N 300.398 4.045 30 30 DIEC C=CCOc1ccc([C@H]2[C@@H]3CCc4ccccc4C3=NN2C)cc1 4388980 RVYAOBRCMZFBAI-CTNGQTDRSA-N 318.420 4.205 30 30 DIEC C[C@]12CC[C@H]3[C@@H](CCC4=C(Cl)C(=O)CC[C@@]43C)[C@H]1CC[C@H]2O 2265306976 KCZCIYZKSLLNNH-ODTYJXCVSA-N 322.876 4.446 30 30 DIEC O=C(/C=C/OC(=O)c1cccc(F)c1)c1ccc(Cl)cc1 174209 BHXOHCMMUCELHR-CMDGGOBGSA-N 304.704 4.033 30 30 DIEC C=CCN1C(=O)/C(=C\c2ccccc2Cl)N=C1c1ccccc1 160521 OXILNRSULOSUMJ-GHRIWEEISA-N 322.795 4.156 30 30 DIEC N#Cc1cc2c(C#N)c(-c3ccccc3)c(O)nc2cc1Cl 40567181 QBZFIOCZBFAVKG-UHFFFAOYSA-N 305.724 4.004 30 30 DIEC CS/C(=N\C#N)SCOc1cccc(Cl)c1Cl 15441942 ZXKATAIYFIHOAO-GXDHUFHOSA-N 307.227 4.263 30 30 DIEC C[C@@H](NC(=O)[C@@H](C#N)C(C)(C)C)c1ccc(Cl)cc1Cl 43068551 YEJGPFZQLRMXOI-BXKDBHETSA-N 313.228 4.356 30 30 DIEC in-vitro CSC(=CC(=O)c1ccccc1Br)SC 39235570 RSMAVUOCFVLHHW-UHFFFAOYSA-N 303.246 4.199 30 30 DIEC C=C1S/C(=N\c2ccc(C(=O)OCC)cc2)NC1(CC)CC 13464848 OSCVJZMDHTXXFP-UHFFFAOYSA-N 318.442 4.260 30 30 DIEC CON=C(CSc1ccc(C)cc1)c1ccc(OC)cc1 2265278862 IEHSOKPODJUUCM-UHFFFAOYSA-N 301.411 4.146 30 30 DIEC CON=C1C[C@@H](C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)cc21 1082838555 YPIJPSLKDLRPHL-ZDUSSCGKSA-N 323.440 4.374 30 30 DIEC N#Cc1sc2nc3ccccc3n2c1/N=C/c1cccs1 156945 OUKAUFMNGFTFLL-RQZCQDPDSA-N 308.391 4.233 30 30 DIEC CON=C(COc1ccc(Cl)cc1)c1ccc(Cl)cc1 2265276552 ZQPVRCZEWRUXJJ-UHFFFAOYSA-N 310.180 4.423 30 30 DIEC CON=C1C[C@@H](C)Cc2nnc(-c3ccc(C(C)C)cc3)cc21 1082838145 FNGLMYAOLFNVLY-ZDUSSCGKSA-N 309.413 4.200 30 30 DIEC CC(C)c1ccc(NC(=S)N/N=C/c2cccs2)cc1 71731 IJIRQKXYMUZQRA-MHWRWJLKSA-N 303.456 4.192 30 30 DIEC O=C(O/N=C1/CCCc2occc21)c1ccc(Cl)cc1Cl 4366270 BWSJXFPGAQJCJD-AQTBWJFISA-N 324.163 4.484 30 30 DIEC C[C@@H](Cc1cccc(C(F)(F)F)c1)NCC#Cc1ccccc1 33867279 FCNDNDLSSPPNRJ-HNNXBMFYSA-N 317.354 4.278 30 30 DIEC FC(F)(F)c1nc2ccccc2nc1NN=Cc1ccccc1 4090976 FVGXEYBPNYNLRK-UHFFFAOYSA-N 316.286 4.095 30 30 DIEC C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\O 13759938 WNJVMVZIGIACNN-KFAXOAFNSA-N 303.446 4.140 30 30 DIEC CCCCCCCCSc1nnc(/N=C/N(C)C)s1 17545307 YIELQOIAJBFUOT-SDNWHVSQSA-N 300.497 4.212 30 30 DIEC CCCC[N+](CCCC)(CCc1ccccc1)CC(=O)OCC 38647665 HCLKYKAEKHUGMN-UHFFFAOYSA-N 320.497 4.209 30 30 DIEC COc1ccccc1C=NOC(=O)c1ccc(C(C)(C)C)cc1 254924595 RCROCMIVIAUODI-UHFFFAOYSA-N 311.381 4.184 30 30 DIEC CCCCCCCC[C@H](O)[C@H](O)CCCCCCCCO 100298176 RGQVEMVVEFTMJD-ZWKOTPCHSA-N 302.499 4.182 30 30 DIEC CC(C)(C)c1ccccc1NC(=O)NCc1ccc(C#N)cc1 158060 XXHVVHHVECDQOT-UHFFFAOYSA-N 307.397 4.177 30 30 DIEC CC(C)Sc1cc(C#N)c2cc(Br)ccc2n1 75820 KFFBSPZIJYOTHG-UHFFFAOYSA-N 307.216 4.369 30 30 DIEC C/C(COc1ccc(-c2csnn2)cc1)=N\Nc1ccccc1 13468946 JCWIUKNJINWEOC-QGOAFFKASA-N 324.409 4.072 30 30 DIEC COc1ccc(Br)cc1Sc1ccc(C#N)cc1 2265383644 JLMVDDSGDPTBKD-UHFFFAOYSA-N 320.211 4.481 30 30 DIEC CCCCc1ccc(C(=O)Oc2cc(F)c(C#N)c(F)c2)cc1 44136997 RKFGAIDQESUWRP-UHFFFAOYSA-N 315.319 4.398 30 30 DIEC COc1cc(Sc2cccc(Br)c2)ccc1C#N 2218878748 FWDDVHACTAFGBX-UHFFFAOYSA-N 320.211 4.481 30 30 DIEC CCOC(=O)c1sc(SC)c(C#N)c1-c1cccs1 94827 DZZKRSLVOVDWJH-UHFFFAOYSA-N 309.437 4.247 30 30 DIEC C[C@]12CC[C@@H]3[C@@H](C[C@H](F)C4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O 2265351770 RPWPWKCZEURREI-GATCLFNJSA-N 304.405 4.035 30 30 DIEC CS/C(=N\c1ccccc1)[C@@H](C#N)c1nc2ccccc2[nH]1 15923317 LFJIDCKLUSEENH-HDRCJFCASA-N 306.394 4.263 30 30 DIEC Fc1ccccc1NC(=S)N/N=C/c1cccc2ccccc12 71352 AOKBYWXHBIJKHI-UDWIEESQSA-N 323.396 4.299 30 30 DIEC COc1ccc([C@@H]2C[C@@H]2C(C)=NOC(=O)c2cccs2)cc1 4013433 RBJRCOJXLAWCHM-CABCVRRESA-N 315.394 4.093 30 30 DIEC C[C@@H]1CC(=O)[C@@]2(C)CC[C@H]3[C@@H](CC=C4C[C@H]5O[C@H]5C[C@@]43C)[C@@H]12 2265351951 VEQQQDHKZISCAE-XQINALNBSA-N 300.442 4.142 30 30 DIEC CCCCCCCC[C@H](O)[C@@H](O)CCCCCCCCO 100298180 RGQVEMVVEFTMJD-ROUUACIJSA-N 302.499 4.182 30 30 DIEC C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@@]21CC 575418432 NXKYEZGQCNWQRT-AHJNKEMKSA-N 324.464 4.306 30 30 DIEC CC(C)(C)OC(=O)N(CCCCC#N)OCc1ccccc1 39175238 PMFJIAMYWRXMHN-UHFFFAOYSA-N 304.390 4.049 30 30 DIEC COc1nc2c(c(-c3cccs3)c1C#N)Cc1ccccc1-2 79746 UHPXXNOYXTYHKN-UHFFFAOYSA-N 304.374 4.262 30 30 DIEC C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3[C@H](C)C[C@]21C 247951994 MLZOUZLJIKTUIT-YNEKOKDGSA-N 324.464 4.162 30 30 DIEC F[C@@H]([C@H](F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F 111898636 JTAGPVKELVRAHG-LWMBPPNESA-N 302.058 4.058 30 30 DIEC N#Cc1ccc(-c2csc(-c3ccc4c(c3)OCCO4)n2)cc1 105605 MDECOZFGDFEQFY-UHFFFAOYSA-N 320.373 4.120 30 30 DIEC Cc1ccc2c(c1)S/C(=C1/Sc3ccccc3C1=O)C2=O 34142232 GWJBKRMAUGITRP-WUKNDPDISA-N 310.399 4.484 30 30 DIEC CCCCCCCCCCCC(=O)O[C@H](C)COC[C@@H](C)O 60258420 SPKKNBYAYDORNI-IAGOWNOFSA-N 316.482 4.236 30 30 DIEC CON=Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 254761847 JVXSKVXQSUHQAO-UHFFFAOYSA-N 302.355 4.035 30 30 DIEC N#Cc1c(-c2cccs2)ccn(CC=Cc2ccccc2)c1=O 2265272086 WPUYXJZBWYVMDU-UHFFFAOYSA-N 318.401 4.162 30 30 DIEC CC(C)(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2510685 RQVWCCCEFXMBKB-UHFFFAOYSA-N 306.168 4.006 30 30 DIEC CC(C)c1ccc(-c2cc3c(nn2)CC(C)(C)CC3=NO)cc1 1082839040 GXTTWAWBIUNGER-UHFFFAOYSA-N 309.413 4.418 30 30 DIEC F[C@@H]([C@@H](F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F 111898638 JTAGPVKELVRAHG-NCGGTJAESA-N 302.058 4.058 30 30 DIEC CC(=O)[C@@H](C=NOCc1c(F)cccc1Cl)c1ccccc1 2265279451 GZQKERAHSXEPFK-CQSZACIVSA-N 319.763 4.354 30 30 DIEC N#CC(C#N)[C@H](CC(=O)c1ccc(Cl)cc1)c1cccs1 102984 VUURSDXDRMJMQK-AWEZNQCLSA-N 314.797 4.421 30 30 DIEC C[C@@H]1CC(=O)[C@@]2(C)CC[C@H]3[C@@H](CC=C4C[C@H]5O[C@H]5C[C@@]43C)[C@H]12 2265351848 VEQQQDHKZISCAE-CPTCBZRNSA-N 300.442 4.142 30 30 DIEC N/C(=N\c1ccccc1)SCc1ccc(Br)cc1 7664746 QZLJNVGPSNJYIH-UHFFFAOYSA-N 321.243 4.329 30 30 DIEC C/C(=N/N(C)c1ccccc1)C1=[N+](C)c2ccccc2C1(C)C 5132339 XNQQDNXLYRYJRL-UHFFFAOYSA-N 306.433 4.205 30 30 DIEC C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(OC)cc(C)c4[C@@H]3CC[C@]21C 4369959 SDXFYMDYTAJWRS-GIGYVVOSSA-N 324.464 4.224 30 30 DIEC CCCCCCCCCCCCCC(=O)OCCOCCO 100304490 LZSVYIQKUAVZFB-UHFFFAOYSA-N 316.482 4.240 30 30 DIEC C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)/C(=N/O)CC[C@H]12 2265351994 WNJVMVZIGIACNN-MLNXAMHJSA-N 303.446 4.140 30 30 DIEC COC(=O)c1sc(SC)c(C#N)c1-c1ccc(C)cc1 124817 KAOONHICLBIGFC-UHFFFAOYSA-N 303.408 4.104 30 30 DIEC O/N=C(\Nc1ccc(C(F)(F)F)cc1)c1c(F)cccc1F 4335887 ZVHLXCUEKSJLAQ-UHFFFAOYSA-N 316.229 4.232 30 30 DIEC CC1(C)OB(C=C2CC[C@H](OCc3ccccc3)C2)OC1(C)C 2265385158 IZQSOVSANCKSOW-KRWDZBQOSA-N 314.234 4.314 30 30 DIEC C#CC(CC)(CC)/N=C/c1cc(Br)ccc1OCC 136847 HHXKQDJIRRNNII-LDADJPATSA-N 322.246 4.459 30 30 DIEC CCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1 111872623 OZOVXOAZDQCMAM-INIZCTEOSA-N 311.466 4.119 30 30 DIEC C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3[C@@H](C)C[C@@]21C 215690459 MLZOUZLJIKTUIT-FEONWWTISA-N 324.464 4.162 30 30 DIEC ON=Cc1c(SCc2ccc(Cl)cc2)nc2sccn12 254519521 IOEHOWOPQGDGHQ-UHFFFAOYSA-N 323.830 4.150 30 30 DIEC O=C(Nc1ccc(/N=C/c2cccs2)cc1)c1ccccc1O 72701 MYXGVQRPGXWXIH-XDHOZWIPSA-N 322.389 4.457 30 30 DIEC CON=Cc1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 254394621 HGTMWSBDDIGEMB-UHFFFAOYSA-N 322.773 4.380 30 30 DIEC N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 97957424 GURRKOBWILKVPZ-SSDOTTSWSA-N 311.147 4.286 30 30 DIEC in-vitro COc1ccc(C=Nc2ccc(OC(=O)C(C)(C)C)cc2)cc1 254385840 PECKCKSCGNVGAW-UHFFFAOYSA-N 311.381 4.397 30 30 DIEC COC(=O)c1sc(SC)c(C#N)c1-c1ccccc1Cl 94835 ZANCBTQTUQVXHM-UHFFFAOYSA-N 323.826 4.449 30 30 DIEC CC(C)(C)C(=O)ON=C(c1ccc(F)cc1)c1ccc(F)cc1 2163177 PZAOPZLHMQWQCR-UHFFFAOYSA-N 317.335 4.307 30 30 DIEC C[C@H]1CC(=O)[C@@]2(C)CC[C@H]3[C@@H](CC=C4C[C@H]5O[C@H]5C[C@@]43C)[C@@H]12 2265351849 VEQQQDHKZISCAE-HBALNCFDSA-N 300.442 4.142 30 30 DIEC C[C@]12CC[C@@H]3[C@H](C[C@@H](F)C4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O 2265351771 RPWPWKCZEURREI-MXNRTCDRSA-N 304.405 4.035 30 30 DIEC O=C(O/N=C1\CCCc2[nH]c3ccccc3c21)C1CCCCC1 66343687 UZOMRVMTSQXUMN-HEHNFIMWSA-N 310.397 4.332 30 30 DIEC CC(=Nc1ccc(N(C)C)cc1)c1cnc(-c2ccncc2)s1 254310691 UVHVFQXNTVIHJP-UHFFFAOYSA-N 322.437 4.412 30 30 DIEC CCCCCCCCCCCC(=O)O[C@@H](C)COC[C@@H](C)O 60258417 SPKKNBYAYDORNI-SJORKVTESA-N 316.482 4.236 30 30 DIEC O=[N+]([O-])c1ccc(/C=N/c2ccccc2Br)s1 99137 RWQDNXZFBHOUNW-NTUHNPAUSA-N 311.160 4.169 30 30 DIEC COc1ccc(OCc2nc(-c3ccc(C#N)cc3)cs2)cc1 113850 OJMYTOMCJKOFNY-UHFFFAOYSA-N 322.389 4.269 30 30 DIEC CSc1nc(C)nc(Nc2cccc(C(F)(F)F)c2)c1C#N 132138 BMHHQKQIYQVTGB-UHFFFAOYSA-N 324.331 4.141 30 30 DIEC COc1cccc(/C=N/c2cc(C(C)=O)ccc2Cl)c1O 138171 PARLCQXGYAODRJ-GIJQJNRQSA-N 303.745 4.007 30 30 DIEC COc1ccc([C@@H]2C[C@H]2C(C)=NOC(=O)c2cccs2)cc1 263630263 RBJRCOJXLAWCHM-GJZGRUSLSA-N 315.394 4.093 30 30 DIEC C=C/C(C)=C/C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CC[C@@H](O)[C@]2(C)C(=O)O 238756764 MWGQHKPSIULECF-IPUOKCBWSA-N 318.457 4.343 30 30 DIEC CON=Cc1ccc(Oc2cccc(Cl)c2)c([N+](=O)[O-])c1 254820767 BXIPUXMREJJVHJ-UHFFFAOYSA-N 306.705 4.021 30 30 DIEC C/C1=C\CC[C@@]2(C)O[C@@H]2C[C@]2(C(C)C)CC[C@@](C)(O2)[C@@H](O)CC1 59587019 ARTVDMKLQDTMGX-YWKPCTACSA-N 322.489 4.379 30 30 DIEC biogenic,in-vitro C#CC1(NC(=S)N[C@@H]2C[C@@H](C)CC(C)(C)C2)CCCCC1 97272 PPIDMRALKHGUGQ-HUUCEWRRSA-N 306.519 4.001 30 30 DIEC CCCCCCCCCCCCCOC[C@H](O)C[N+](C)(C)C 111412091 LDGWAIFVWDLYCF-LJQANCHMSA-N 316.550 4.381 30 30 DIEC C#CC1(NC(=S)N[C@H]2C[C@@H](C)CC(C)(C)C2)CCCCC1 97279 PPIDMRALKHGUGQ-CABCVRRESA-N 306.519 4.001 30 30 DIEC C[C@H](C=O)[C@@H]1CC[C@H]2[C@@H](OC(=O)c3ccccc3)CCC[C@]12C 26522167 DCXYXPCMRLYABB-SORZXXQLSA-N 314.425 4.263 30 30 DIEC CON=C1CC(C)(C)Cc2[nH]c(-c3ccc(F)c(C)c3)cc21 1082839037 CVQZKNRFIFGWCC-UHFFFAOYSA-N 300.377 4.452 30 30 DIEC C[C@]12CC[C@@H]3[C@H](C[C@H](F)C4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O 2265351773 RPWPWKCZEURREI-QUWCTIRMSA-N 304.405 4.035 30 30 DIEC CC1(C)[C@H]2CC[C@]1(C)/C(=N/OC(=O)c1c(F)cccc1F)C2 133200 GNVQDKAWBVDRAP-MHWYIPFGSA-N 307.340 4.324 30 30 DIEC C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 118939672 CCDNGLFWWXCDAW-XWSYPYPCSA-N 303.446 4.140 30 30 DIEC CSc1sc(Br)c2c1/C(=N\O)CC(C)(C)C2 4350550 RKXANRHVGFVFMQ-QPEQYQDCSA-N 320.277 4.383 30 30 DIEC CSc1sc(C(=O)NC(C)C)c(-c2cccs2)c1C#N 95892 PHFUQBVTRNPUBQ-UHFFFAOYSA-N 322.480 4.208 30 30 DIEC C=CCCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 2576155 SCIKTJAHTKCLHE-UHFFFAOYSA-N 307.349 4.122 30 30 DIEC Oc1ccccc1/C=N/CCSCc1ccccc1Cl 100379340 FMGXSNIOSWYZLJ-WOJGMQOQSA-N 305.830 4.398 30 30 DIEC Cc1sc(/N=C/N(C)C)c(C(=O)c2ccc(Cl)cc2)c1C 4394430 BVFUAIQUGDCRRB-GIJQJNRQSA-N 320.845 4.471 30 30 DIEC N#CC(C#N)[C@@H](CC(=O)c1ccc(Cl)cc1)c1cccs1 102988 VUURSDXDRMJMQK-CQSZACIVSA-N 314.797 4.421 30 30 DIEC CC(C)(C)NC(=S)N/N=C/c1ccccc1SC(C)(C)C 166583 ZMQKLBQAJJYMRJ-GZTJUZNOSA-N 323.531 4.174 30 30 DIEC Cc1ccc2c(c1)C(=NOC(=O)c1cccs1)CCS2 254331124 XAKNTWNVLUDEKM-UHFFFAOYSA-N 303.408 4.113 30 30 DIEC ON=Cc1c(Sc2ccc(Cl)cc2)nc2sccn12 254441867 VLVHXNXVJGHAGI-UHFFFAOYSA-N 309.803 4.009 30 30 DIEC CCCCCCCCCCCCCOC[C@@H](O)C[N+](C)(C)C 111412094 LDGWAIFVWDLYCF-IBGZPJMESA-N 316.550 4.381 30 30 DIEC CC[C@@H](C)COc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 32231583 GGANDIXBHZFJIJ-CQSZACIVSA-N 309.365 4.202 30 30 DIEC N#Cc1c(Cl)nc2cc(Br)ccc2c1Cl 521399181 KRWIKFKWCGADQX-UHFFFAOYSA-N 301.958 4.176 30 30 DIEC CON=C1C[C@H](C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)cc21 1082838554 YPIJPSLKDLRPHL-CYBMUJFWSA-N 323.440 4.374 30 30 DIEC CCOc1nc2c(c(-c3ccco3)c1C#N)Cc1ccccc1-2 159797 VQXWCDTUMMZRBB-UHFFFAOYSA-N 302.333 4.183 30 30 DIEC C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(OC)cc(C)c4[C@@H]3CC[C@@]21C 4369963 SDXFYMDYTAJWRS-MWGJNXKLSA-N 324.464 4.224 30 30 DIEC C=C1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12 4804445 KMNSRETXNDRTCN-GJCUDGATSA-N 300.442 4.045 30 30 DIEC CCSc1sc(C(=O)OC)c(-c2cccs2)c1C#N 95838 OJMJQEYABDXQNV-UHFFFAOYSA-N 309.437 4.247 30 30 DIEC CC(C)(C)c1cc(N/C=C/C(=O)c2ccc(Cl)cc2)no1 5613735 RTPFXBXNGVVZEL-CMDGGOBGSA-N 304.777 4.434 30 30 DIEC Cc1nc(S/C=C/C(=O)c2ccccc2)c(C#N)c(C)c1C 174139 YORBMSFFBFHZIO-MDZDMXLPSA-N 308.406 4.367 30 30 DIEC O=C1C(=NNc2ccccc2)c2ccccc2N1c1ccccc1 254708993 YBWRVOVXPSDIKY-UHFFFAOYSA-N 313.360 4.181 30 30 DIEC COc1ccc(CS/C(N)=N\c2ccccc2Cl)cc1 8536281 SZLWEUWHEVPWJO-UHFFFAOYSA-N 306.818 4.228 30 30 DIEC C=C(C)CCC(=O)c1c(C)ccc2c1C(=O)C(=O)C(C(C)C)=C2 13308600 QBFJRHHNMGXMEF-UHFFFAOYSA-N 310.393 4.339 30 30 DIEC biogenic C[C@H](C=O)[C@@H]1CC[C@@H]2[C@@H](OC(=O)c3ccccc3)CCC[C@]12C 26522160 DCXYXPCMRLYABB-LZRWSTQFSA-N 314.425 4.263 30 30 DIEC COC1(/C(C)=N/OC(=O)Nc2ccc(F)cc2)CCCCC1 38174996 UPQVWVQTRGMYOU-XDHOZWIPSA-N 308.353 4.099 30 30 DIEC CCCCCCCC[C@@H](O)[C@@H](O)CCCCCCCCO 100298183 RGQVEMVVEFTMJD-MSOLQXFVSA-N 302.499 4.182 30 30 DIEC CCN(CC)c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2C#N)cc1 173852 IIVJPUYMNRMMPU-VMPITWQZSA-N 321.380 4.483 30 30 DIEC COc1cccc(/C=N/c2ccccc2SCCC#N)c1O 3126547 MBSMLGCECZVZEG-XDHOZWIPSA-N 312.394 4.157 30 30 DIEC CON=C1C[C@@H](C)Cc2nnc(-c3ccc(Cl)c(C)c3)cc21 1082839066 SROVBKHHLXJYRF-JTQLQIEISA-N 315.804 4.038 30 30 DIEC O=C(O/N=C/c1ccc(F)c(Cl)c1)c1ccc(Cl)cc1 106535 BDVPZKIKHRICRK-QGMBQPNBSA-N 312.127 4.323 30 30 DIEC C[S@](=O)c1scc(-c2cccc(C(F)(F)F)c2)c1C#N 8637196 ODZMVNKYZVHJKW-HXUWFJFHSA-N 315.341 4.043 30 30 DIEC Cc1nc(-c2ccccn2)sc1C(=O)C=Cc1ccccc1 2265269909 GWEHMBUQINDNDP-UHFFFAOYSA-N 306.390 4.410 30 30 DIEC C/C(=N\NC(=S)Nc1ccc(C(C)C)cc1)c1ccco1 143254 OWIWJGRXEAFEBV-LDADJPATSA-N 301.415 4.114 30 30 DIEC CCCCCCCCCCCC(=O)OCCCOCCCO 111906860 CGGKBZSXQOLUNV-UHFFFAOYSA-N 316.482 4.240 30 30 DIEC CC(=O)[C@H](C=NOCc1c(F)cccc1Cl)c1ccccc1 2265279450 GZQKERAHSXEPFK-AWEZNQCLSA-N 319.763 4.354 30 30 DIEC O=[N+]([O-])c1cc(C=NO)ccc1SCc1ccccc1Cl 254813623 WWFGIHVYRFFJLK-UHFFFAOYSA-N 322.773 4.349 30 30 DIEC N/C(=N\C(S)=N\c1cc(Cl)ccc1Cl)c1ccccc1 20414149 CUQDIPVTRXZRLP-UHFFFAOYSA-N 324.236 4.316 30 30 DIEC C[C@@H](CCC/N=C/c1ccccc1O)C/N=C/c1ccccc1O 6020478 IPIHECIYBVDAFT-JCIMQAGLSA-N 324.424 4.052 30 30 DIEC CS/C(=N\c1ccccc1)[C@H](C#N)c1nc2ccccc2[nH]1 15923319 LFJIDCKLUSEENH-JPWUFHEYSA-N 306.394 4.263 30 30 DIEC CC1=C(C(=O)c2ccccc2Cl)C2(CCCCC2)OC1=O 33890467 HZRFWONPELLVHC-UHFFFAOYSA-N 304.773 4.099 30 30 DIEC N#Cc1c(-c2ccccc2)noc1C=CNc1ccc(O)cc1F 2265276277 LGEAEWHDSGDHIX-UHFFFAOYSA-N 321.311 4.141 30 30 DIEC FC(F)(F)C(C(=S)C(F)(F)C(F)(F)F)C(F)(F)F 140754167 YLVHPIBXZVWJSH-UHFFFAOYSA-N 314.119 4.295 30 30 DIEC C#CC1(NC(=S)N[C@@H]2C[C@H](C)CC(C)(C)C2)CCCCC1 97271 PPIDMRALKHGUGQ-LSDHHAIUSA-N 306.519 4.001 30 30 DIEC O=C(Sc1cccs1)c1cncc(C#Cc2ccccc2)c1 3129130 ISWHRHWITYSDAH-UHFFFAOYSA-N 321.426 4.475 30 30 DIEC C#CC1(NC(=S)N[C@H]2C[C@H](C)CC(C)(C)C2)CCCCC1 97275 PPIDMRALKHGUGQ-GJZGRUSLSA-N 306.519 4.001 30 30 DIEC C/N=C(/S)N(Cc1ccc(Cl)cc1)Cc1cccs1 13658843 TZPYYMWCDIMGQU-UHFFFAOYSA-N 310.875 4.319 30 30 DIEC CN(C)c1ccc(/C=N\c2cc(Cl)c(N)c(Cl)c2)cc1 18192492 AGPZONUMMSVPMY-OCKHKDLRSA-N 308.212 4.392 30 30 DIEC CC(C)(C)OC(=O)n1cc(C(C)(C)C#N)c2cc(F)ccc21 95936811 FYUVYLCJCMSFIY-UHFFFAOYSA-N 302.349 4.365 30 30 DIEC C[C@H]1CC(=O)[C@@]2(C)CC[C@H]3[C@@H](CC=C4C[C@H]5O[C@H]5C[C@@]43C)[C@H]12 2265351850 VEQQQDHKZISCAE-PWEPOSOCSA-N 300.442 4.142 30 30 DIEC FC(F)(F)c1csc(N/N=C/c2ccc(Cl)cc2)n1 4394705 PXOAIMBUPYXRGA-FZSIALSZSA-N 305.712 4.261 30 30 DIEC CN(C)/C=C1\CC/C(=C/C=C2\N(C)c3ccccc3C2(C)C)C1=O 102042065 BUUCESFHCDLULK-QLJDRZGOSA-N 322.452 4.033 30 30 DIEC COc1cccc(C=Nc2oc(-c3ccccc3)cc2C#N)c1O 254492564 JWHXCIKBJKHAJF-UHFFFAOYSA-N 318.332 4.283 30 30 DIEC N#CCOc1cc(Sc2ccc(Cl)cc2)ccc1[N+](=O)[O-] 2151285 RDERHFHNGNGAJC-UHFFFAOYSA-N 320.757 4.302 30 30 DIEC CC(C)(C)OC(=O)N1CCC([C@@H](C#N)c2ccc(F)cc2)CC1 261246027 YBKORHOHVBAQQC-INIZCTEOSA-N 318.392 4.080 30 30 DIEC Cn1nc(-c2ccccc2)c(C=NO)c1Sc1ccccc1 254509182 RFVMGRIINLDLNR-UHFFFAOYSA-N 309.394 4.046 30 30 DIEC Cc1ccnc(/N=C2\c3ccccc3CN2c2cc(C)ccn2)c1 85253 PKBQBGYFGSKDDH-BSYVCWPDSA-N 314.392 4.192 30 30 DIEC O=C(OCC#Cc1ccc(-c2ccccn2)s1)c1ccccc1 3125884 RJRMBTJRNZPFIM-UHFFFAOYSA-N 319.385 4.019 30 30 DIEC CN1N=C(c2ccccc2)CS/C1=N\c1ccc(Cl)cc1 4389050 LWJCQLJNJYHVFK-VLGSPTGOSA-N 315.829 4.410 30 30 DIEC CN(C)/C=N/c1ncccc1OCc1ccc(Cl)c(Cl)c1 4300644 SXVNPFVCAUPIKN-VXLYETTFSA-N 324.211 4.189 30 30 DIEC O=C1C(=CNc2ccc(F)cc2)CCc2c1[nH]c1ccccc21 2265269891 CDOHXBJOVMKGCW-UHFFFAOYSA-N 306.340 4.432 30 30 DIEC CCOc1ccc(/N=C/c2ccc(N(C)CCC#N)cc2)cc1 3119317 DDJKWEIXCTYDHV-RCCKNPSSSA-N 307.397 4.186 30 30 DIEC C[C@]1(O)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C 253497659 BRQAXEKVGOTNJM-JZCOGDJRSA-N 300.442 4.045 30 30 DIEC CCOC(=O)c1ccc2c(c1)CC/C(=C\c1ccc(F)cc1)C2=O 4709798 BAPRJYSZZLLXKS-RVDMUPIBSA-N 324.351 4.215 30 30 DIEC C[C@H](CCC/N=C/c1ccccc1O)C/N=C/c1ccccc1O 238790735 IPIHECIYBVDAFT-ABLGNCNOSA-N 324.424 4.052 30 30 DIEC N#Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 150620 NCMJKMWLYCMHCQ-UHFFFAOYSA-N 308.215 4.278 30 30 DIEC COC1=CC(=O)SC1=CNc1ccc(Cl)cc1Cl 2265278884 PFKNTKFBWQLKGN-UHFFFAOYSA-N 302.182 4.050 30 30 DIEC C/C(=N\Oc1nc(-c2ccccc2)ns1)c1cccs1 146365 ZMACBXXBTBBFJD-MHWRWJLKSA-N 301.396 4.070 30 30 DIEC Cc1csc2ncnc(N/N=C/c3ccccc3Cl)c12 4324054 QZMTYTFYTDJJMQ-NGYBGAFCSA-N 302.790 4.099 30 30 DIEC O=[N+]([O-])c1cc(C=NO)ccc1Sc1ccc(Cl)cc1 254752448 MDDDHPZZRKOTJH-UHFFFAOYSA-N 308.746 4.208 30 30 DIEC F[C@H]([C@@H](F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F 111898645 JTAGPVKELVRAHG-JCYAYHJZSA-N 302.058 4.058 30 30 DIEC CSc1sc(-c2cc[nH]n2)c(-c2cccs2)c1C#N 149642 JBSQDUDGLWLMLC-UHFFFAOYSA-N 303.437 4.460 30 30 DIEC C[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 13736393 GZSCFURMBHMSCE-JKNDIDBPSA-N 300.442 4.333 30 30 DIEC in-vitro C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\O)CC[C@@]43C)[C@@H]1CC[C@H]2O 118939673 CCDNGLFWWXCDAW-BBKTUDKTSA-N 303.446 4.140 30 30 DIEC COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(OC)c1OC 67264 ZJQAESMQXVGGLW-VXLYETTFSA-N 319.788 4.425 30 30 DIEC N#Cc1ccc(CSC2=NCCCN2C2CCCCC2)cc1 144920 XMPYQNDAKQKLKS-UHFFFAOYSA-N 313.470 4.186 30 30 DIEC CCN(CC)/C(=N/C(=O)c1c(Cl)cccc1Cl)SC 4323860 SACDNCPSHACCHL-SSZFMOIBSA-N 319.257 4.194 30 30 DIEC N#CCc1ccc(N=Cc2ccc(Oc3cnccn3)cc2)cc1 263630842 LYPLSJBWVARDAG-UHFFFAOYSA-N 314.348 4.086 30 30 DIEC CC[C@H](C)COc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 32231585 GGANDIXBHZFJIJ-AWEZNQCLSA-N 309.365 4.202 30 30 DIEC N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 97957423 GURRKOBWILKVPZ-ZETCQYMHSA-N 311.147 4.286 30 30 DIEC in-vitro O=C(/C(=C\C(=O)c1ccco1)c1ccccc1)c1ccccc1 4377899 ZJRXKPPRMICGGN-VKAVYKQESA-N 302.329 4.429 30 30 DIEC C#CC(CC)(CC)NC(=O)c1sc2ccccc2c1Cl 66854 IIIUBPDZRDAEHA-UHFFFAOYSA-N 305.830 4.477 30 30 DIEC COC(=O)c1sc(SC)c(C#N)c1-c1cccc(Cl)c1 124850 OTGJLNFWPCWHGI-UHFFFAOYSA-N 323.826 4.449 30 30 DIEC COC(=O)c1cc(C)ccc1/N=C1\CCCN1c1ccccc1 100390605 UULHQJGYMNTWJE-CZIZESTLSA-N 308.381 4.112 30 30 DIEC in-vitro CC(C)C[C@@](C#N)(CCN(C(C)C)C(C)C)c1ccccn1 38634532 PKPIMMSNMGWNHK-LJQANCHMSA-N 301.478 4.398 30 30 DIEC in-vitro O=C(O)c1ccccc1/C=N/Nc1cc(Cl)ccc1Cl 4371672 CVUGTYQDUTVGTA-CAOOACKPSA-N 309.152 4.138 30 30 DIEC O=C(C=CNc1ccc(F)cc1)c1ccc(OCCCF)cc1 2265269984 LYAHPZRCGPFTCB-UHFFFAOYSA-N 317.335 4.373 30 30 DIEC COc1ccc(CON=C2CCCc3c2[nH]c2ccccc32)cc1 2265276392 IGQAQXBDQJGGLQ-UHFFFAOYSA-N 320.392 4.434 30 30 DIEC C[C@]12CC[C@@H]3[C@@H](C[C@H](F)C4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O 2265351776 RPWPWKCZEURREI-ZDZKHZIISA-N 304.405 4.035 30 30 DIEC N#Cc1cc(-c2ccccc2)oc1N=Cc1ccc([N+](=O)[O-])cc1 254737278 AEVRSXAVFKVMKK-UHFFFAOYSA-N 317.304 4.477 30 30 DIEC C[C@]12CC[C@@H]3[C@H](C[C@H](F)C4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O 2265351775 RPWPWKCZEURREI-WSKOLGIYSA-N 304.405 4.035 30 30 DIEC C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\O 39439673 CWINRPKWTQFSKW-LWDNULKQSA-N 305.462 4.220 30 30 DIEC N#Cc1ccc2c(c1)C[C@H](c1ccc(Br)s1)O2 22003044 XFRUMVRIKPTAKH-LLVKDONJSA-N 306.184 4.058 30 30 DIEC CC1(C)OB(C=C2CC[C@@H](OCc3ccccc3)C2)OC1(C)C 2265385159 IZQSOVSANCKSOW-QGZVFWFLSA-N 314.234 4.314 30 30 DIEC O=C1N(C2CCCCC2)/C(=N/C2CCCCC2)SC12CC2 1042391 QXGQXJCDAYXJBW-VLGSPTGOSA-N 306.475 4.116 30 30 DIEC CC(C)C[C@](C#N)(CCN(C(C)C)C(C)C)c1ccccn1 38634530 PKPIMMSNMGWNHK-IBGZPJMESA-N 301.478 4.398 30 30 DIEC in-vitro C[S@@](=O)c1scc(-c2cccc(C(F)(F)F)c2)c1C#N 125076 ODZMVNKYZVHJKW-FQEVSTJZSA-N 315.341 4.043 30 30 DIEC ON=C[C@H](c1cccs1)c1ncc(C(F)(F)F)cc1Cl 725274121 WPNYDOBITWHMFC-MRVPVSSYSA-N 320.723 4.407 30 30 DIEC CCCCCCCCCCCCSCC[C@H](N)C(=O)O 106506744 GGDYPLNAQANVMG-HNNXBMFYSA-N 303.512 4.443 30 30 DIEC Cc1cc(/N=C/c2ccc([N+](=O)[O-])cc2)ccc1Br 93957 SRZUMKHLNQYCPF-CXUHLZMHSA-N 319.158 4.416 30 30 DIEC Cn1c2c(c3ccccc31)/C(=N/OC(=O)C1CCCCC1)CCC2 162272 MTNSZHBLIBANQE-LTGZKZEYSA-N 324.424 4.342 30 30 DIEC Cc1cc(C)cc(NC(=O)N(CCC#N)Cc2cccs2)c1 4325261 ZCDVIKDEJJOULU-UHFFFAOYSA-N 313.426 4.313 30 30 DIEC C=C1C[C@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 253497708 HRVOUMJOOZFBIQ-GHMDXEKNSA-N 314.469 4.435 30 30 DIEC