smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccccc1N1C[C@@H](C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1=O 7929304 FZFSDNDTEORFCZ-ZDUSSCGKSA-N 340.335 2.862 50 40 EFGB CCOC(=O)NN/C(C)=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F 9553983 YHLVWBTWORONBD-PLNGDYQASA-N 340.195 2.543 50 40 EFGB COc1cc(/C(C)=N/NC(=O)c2cccs2)cc(OC)c1OC 12529008 YOVNHMWEIZXBGE-LICLKQGHSA-N 334.397 2.928 50 40 EFGB COc1ccc(/C=N/NC(=O)CCCC(=O)NC2CCCCC2)cc1 3667044 DSFDXSJRMCRMTL-XSFVSMFZSA-N 345.443 2.765 50 40 EFGB C[C@@]1(C(=O)OC[C@@H]2CCCN3CCCC[C@H]23)C[C@@H]1Br 4061177 BXPSMNAXFOSEKJ-SFDCQRBFSA-N 330.266 2.968 50 40 EFGB biogenic Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNC(=O)C1CC1 14800545 KLOJUZGKMAQGAK-UHFFFAOYSA-N 337.738 2.614 50 40 EFGB Cc1nn(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1Cl 253398813 HOUBXHPACOEKDT-GFCCVEGCSA-N 346.818 2.833 50 40 EFGB CCOC(=O)/C(C#N)=C\Nc1ccc(I)cc1 5322328 RDUQQNNXNJINGT-HJWRWDBZSA-N 342.136 2.674 50 40 EFGB CCOc1ccc(OC)cc1/C=N/NC(=O)COc1ccc(F)cc1 219149 UKKJZLJHSZYBRO-RGVLZGJSSA-N 346.358 2.762 50 40 EFGB Cc1c(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)oc2ccccc12 17329534 KCSALGZDSYHOIM-UHFFFAOYSA-N 339.307 2.724 50 40 EFGB O=C(O)CCC(=O)NNc1nc2ccccc2nc1-c1ccccc1 309204 RBTFLNLHSJLUAK-UHFFFAOYSA-N 336.351 2.605 50 40 EFGB COc1ccc(/C=N\NC(=O)COc2cccc(C)c2C)cc1O 30843181 LUXOROJWCLMVOA-GRSHGNNSSA-N 328.368 2.547 50 40 EFGB COc1ccc(O)c(/C=N/NC(=O)[C@H](C)Nc2ccc(C)cc2)c1 234866 YGSCRYWCGSQNRV-MDBUFAAASA-N 327.384 2.660 50 40 EFGB CC(C)N1CCC2(CC1)C(C#N)=C(N)OC1=C2C(=O)CC(C)(C)C1 55135071 RVULTHYPPITLMC-UHFFFAOYSA-N 329.444 2.844 50 40 EFGB CCOC(=O)[C@H](Br)[C@@H](C(=O)OCC)c1ccc(C)cc1 3671612 MNVZOGWIMOUWDL-QWHCGFSZSA-N 343.217 2.968 50 40 EFGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccco1 409063751 MQCBFSLIKVCULZ-BOPFTXTBSA-N 328.328 2.552 50 40 EFGB C[C@@H]1C=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3)[C@@]2(C)CN1C 19816632 XDCMOLBWROZGKQ-WNYOCNMUSA-N 343.434 2.820 50 40 EFGB CCOc1ccccc1OCC(=O)N/N=C/c1ccccc1OC 5467390 WEJOYMXNNWFBQB-XDHOZWIPSA-N 328.368 2.623 50 40 EFGB CC(C)CC1(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)CCC1 79093002 FSWFVHCNBPAOHY-ZDUSSCGKSA-N 336.407 2.957 50 40 EFGB COc1cccc(/C=C/C(=O)NNC(=O)c2cccc(Cl)c2)c1 3555083 CDJMUMHPAHWEEB-CMDGGOBGSA-N 330.771 2.823 50 40 EFGB CCOC(=O)C1=C(CCl)Oc2ncnc(N)c2[C@@H]1c1ccccc1 226759755 QOTPJVILNJJGDI-GFCCVEGCSA-N 345.786 2.639 50 40 EFGB COc1cc(/C=C(/C#N)C(N)=O)ccc1OCc1cccc(F)c1 13635747 IZVPKAYEILKXOK-AUWJEWJLSA-N 326.327 2.806 50 40 EFGB Cc1ccc(OCC(=O)N/N=C/c2sccc2C)c([N+](=O)[O-])c1 238149 ILJLNTNBIMBNLZ-LZYBPNLTSA-N 333.369 2.802 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)[C@H](OC)c2ccccc2)cc1OC 5288741 KSYKMIOWGLEIBW-JZQBQCRLSA-N 342.395 2.932 50 40 EFGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccccc1[N+](=O)[O-] 261396 YBFXDXUQSSQPKM-RQZCQDPDSA-N 333.731 2.777 50 40 EFGB CCc1ccc(OCC(=O)NNC(=O)/C=C/c2ccc(C)cc2)cc1 6450714 AWUPIENZKYFGCK-JLHYYAGUSA-N 338.407 2.797 50 40 EFGB O=C(CBr)Nc1ccc(C(=O)N2CCCCC2)cc1 35605445 ZJZGXAZCOYABPT-UHFFFAOYSA-N 325.206 2.646 50 40 EFGB COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)c(O)c([N+](=O)[O-])c1 408948301 CPGGTBXAMJGZEM-JUDMIAQXSA-N 347.371 2.585 50 40 EFGB C=CCOc1ccc(/C=N/NC(=O)COc2ccc(OC)cc2)cc1 45924542 FEASXLKHNDBBSV-DEDYPNTBSA-N 340.379 2.789 50 40 EFGB CCn1ncc(/C=N/NC(=O)c2ccc(-n3cccc3)cc2)c1F 252479697 BKGSJFZEBPZOAF-YBFXNURJSA-N 325.347 2.597 50 40 EFGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1ccsc1 100201062 RBTNMVVHXBCEEZ-CYBMUJFWSA-N 334.356 2.889 50 40 EFGB C=CCc1cccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)c1O 262893 UDIVYCIUIUIHNZ-UDWIEESQSA-N 337.379 2.843 50 40 EFGB CCN(NC(=O)c1ccc(N2CCNC2=O)cc1)c1ccc(C)cc1 54321235 CAACDRSRNATGJC-UHFFFAOYSA-N 338.411 2.696 50 40 EFGB COc1ccccc1CNC(=O)NNc1ccc(F)c(F)c1F 58330125 ZBZIHDZRGBGEAF-UHFFFAOYSA-N 325.290 2.939 50 40 EFGB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNC(=O)c1ccco1 9313660 YCSGPSVMECAJRC-UHFFFAOYSA-N 345.355 2.925 50 40 EFGB Cn1cccc1/C=N\NC(=O)COc1ccc(Cl)cc1Cl 33288123 HPZBAZXXAWCNDT-IUXPMGMMSA-N 326.183 2.861 50 40 EFGB Cc1nc(-c2cccc(COc3ccccc3)c2)ncc1C(=O)NN 225327768 MZNPWJPAWJVDNB-UHFFFAOYSA-N 334.379 2.635 50 40 EFGB CCOc1ccc(/C=N/NC(=O)c2ccccc2O)c(OCC)c1 562585 CVPUSVCNPNCZJG-XDHOZWIPSA-N 328.368 2.954 50 40 EFGB CCC(=O)Nc1ccc(C(=O)NNC(=O)Nc2ccccc2)cc1 143163 SYIIEBLPFOTVDL-UHFFFAOYSA-N 326.356 2.502 50 40 EFGB Cc1ccc(C(=O)NNC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 104220573 CTIJNDOMAKKTAX-UHFFFAOYSA-N 340.766 2.759 50 40 EFGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccs1 408910829 LPMQHVRQWJCNQP-BRFSQIRFSA-N 345.424 2.556 50 40 EFGB CCOc1ccc(/C=N/NC(=O)CNC2CCCCC2)c(OCC)c1 409386525 MBQAPYHWJLSTID-FYJGNVAPSA-N 347.459 2.856 50 40 EFGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(OC)c1OC 33296257 LMYJMJGAVHMGHJ-ODLFYWEKSA-N 328.368 2.785 50 40 EFGB CCCCC(=O)NN/C=C1/C(=O)N(c2ccc(Cl)cc2)N=C1C 98087109 TXBKKINMKRSXKY-GXDHUFHOSA-N 334.807 2.757 50 40 EFGB O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1C[C@H]1c1ccccc1 5003648 LRTXVDOOYSSDOH-QWHCGFSZSA-N 342.311 2.750 50 40 EFGB Cc1ccc(OCC(=O)N/N=C/c2ccc(F)cc2)c([N+](=O)[O-])c1 50071 JHYKBQWGCYOHDU-GIJQJNRQSA-N 331.303 2.571 50 40 EFGB O=C(CCCCCNC(=O)c1ccccc1)N/N=C/c1ccco1 2675924 WVGXCTPLWQLIKY-XSFVSMFZSA-N 327.384 2.720 50 40 EFGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(Cl)cc1 3148399 GTYAMENMSDGJBH-YBFXNURJSA-N 329.787 2.991 50 40 EFGB COc1cc2c(cc1/C=C(\C#N)C(=O)NC1CCCCC1)OCO2 409097036 LZJZGMQPOOMXFL-NTUHNPAUSA-N 328.368 2.780 50 40 EFGB O=C(COc1cccc2cccnc12)N/N=C1\C(O)=Nc2ccccc21 18024820 LVRZWIQQTSRWPY-UHFFFAOYSA-N 346.346 2.736 50 40 EFGB O=C(CSc1ccccc1)N/N=C/c1cccc2c1OCCO2 6241578 DZFXHKYLCZOWED-WOJGMQOQSA-N 328.393 2.700 50 40 EFGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cccc(Br)c1 259484 TXWFUCUZAFDVNZ-VGOFMYFVSA-N 338.117 2.714 50 40 EFGB COC(=O)N1CCC(=NNC(=O)Cc2ccc3ccccc3c2)CC1 54883126 QKEBXXOFUDMMEB-UHFFFAOYSA-N 339.395 2.717 50 40 EFGB COc1cccc(C(=O)NNC2=CC(=O)C[C@H](c3ccccc3)C2)c1 268482 HCWUEERSAYTHHS-MRXNPFEDSA-N 336.391 2.960 50 40 EFGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2O)cc1 8558586 SVYWBQRMHDZOGL-YBFXNURJSA-N 325.368 2.751 50 40 EFGB COc1ccc(/C=N/NC(=O)CNc2ccc(C)cc2)c(OC)c1 437737 PUFBHGZBWGVLNK-RGVLZGJSSA-N 327.384 2.574 50 40 EFGB CCOc1ccc(/C=N\NC(=O)COc2ccc(C)cc2C)c(O)c1 13955409 VHAQUPMLKSGFSE-JAIQZWGSSA-N 342.395 2.937 50 40 EFGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccco1)c1ccccc1 408980518 RQGMOGOVWRMFTC-GYZOOYGHSA-N 329.356 2.607 50 40 EFGB COCCOC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)cc1OC 409243757 YDOZNWBMKIVJTR-FOWTUZBSSA-N 344.411 2.782 50 40 EFGB C/C(=C\C(=O)NNC(=O)c1ccc(F)cc1Br)C1CC1 48803279 FGRPEUKTVRJCBD-SOFGYWHQSA-N 341.180 2.706 50 40 EFGB CC(=O)Oc1ccc(/C=N/NC(=O)CSc2ccccc2)cc1 408785126 XXFJJSYEMNFLON-WOJGMQOQSA-N 328.393 2.854 50 40 EFGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc(N(C)C)cc3)n2c1 59444051 WKMOJOFUNKFIAQ-RGVLZGJSSA-N 335.411 2.781 50 40 EFGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] 1957277 BHMGYKGAGBKNIF-LZYBPNLTSA-N 348.702 2.920 50 40 EFGB CCCC[C@](CCC(=O)O)(C(=O)CBr)C(=O)OCC 2285315 JEBJHDBTCKZEJD-ZDUSSCGKSA-N 337.210 2.555 50 40 EFGB CCCOc1ccc(C(=O)NNC(=O)c2cc(C)oc2C)cc1OC 12784889 KWFYHOQJKMPCNO-UHFFFAOYSA-N 346.383 2.769 50 40 EFGB NNC(=O)c1cc(Br)ccc1OCc1cccc(F)c1 226319267 PVMJKBONNDEZSU-UHFFFAOYSA-N 339.164 2.771 50 40 EFGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccccc1C(=O)O 171646 ICJQGOFWDSEVMK-KPKJPENVSA-N 336.303 2.659 50 40 EFGB O=C(N/N=C/c1ccccc1C(F)(F)F)C(=O)NC1CCCCC1 3665379 DRSRDAZAGYSAFV-KEBDBYFISA-N 341.333 2.604 50 40 EFGB COc1ccc([C@H]2[C@H](C(C)=O)C(C)=NC(=C(C#N)C#N)[C@@H]2C#N)cc1 33821707 HQSHBHYJDDWBSS-FGTMMUONSA-N 332.363 2.900 50 40 EFGB COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)c(OC)c1OC 138582438 RIXRKHJVJGIHJA-JAIQZWGSSA-N 346.358 2.544 50 40 EFGB O=S1(=O)C[C@H](NC(c2ccccc2)c2ccccc2)[C@@H](Cl)C1 575419568 SGCCJRUSCMPECT-HOTGVXAUSA-N 335.856 2.770 50 40 EFGB Cc1cc(O)cc(O)c1/C=N\NC(=O)c1ccc(Br)cc1 5535165 AACPLGQHPDHWJU-IUXPMGMMSA-N 349.184 2.933 50 40 EFGB COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(Cl)cc1C 3060037 JGMHFZSGUKWGPW-VXLYETTFSA-N 345.786 2.746 50 40 EFGB C/C(=N/NC(=O)CSc1ccccn1)c1ccc([N+](=O)[O-])cc1 4869538 OFUPRXPIQWKZAD-BOPFTXTBSA-N 330.369 2.622 50 40 EFGB CCOc1ccc(CC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1 408711992 UJSDTSDVIPQBGL-PDGQHHTCSA-N 327.340 2.686 50 40 EFGB COc1cc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)cc(OC)c1OC 409367921 NXFAJGIXGNWZDJ-CQSZACIVSA-N 345.399 2.890 50 40 EFGB CC(C)(C)NC(=O)C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 83263044 PRGJNCNJUYJZHC-GRSHGNNSSA-N 347.802 2.965 50 40 EFGB CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccc(Cl)cc1 12505061 AYKPHOAZINULIC-GFCCVEGCSA-N 329.183 2.750 50 40 EFGB Cc1cccc(C(=O)NNC(=O)c2ccccc2Br)c1 95893 HLHNORAOEVOGQY-UHFFFAOYSA-N 333.185 2.832 50 40 EFGB Cc1cccc(C(=O)NNC(=O)COc2ccccc2C(C)C)c1 511414 DBCWDOIDFQJJHL-UHFFFAOYSA-N 326.396 2.958 50 40 EFGB N#C/C(=C(/S)NCc1ccccc1)c1nnc2n1CCCCC2 103441350 ZMUCWPSMRGKHSV-VKAVYKQESA-N 325.441 2.916 50 40 EFGB O=C(CCCOc1ccccc1)NNC(=O)Cc1ccc(Cl)cc1 6890044 FLGINLUTNWKTOL-UHFFFAOYSA-N 346.814 2.889 50 40 EFGB O=C(NNc1cccc(Cl)c1)[C@H]1CC(=O)N(Cc2ccccc2)C1 46081175 VDJPHLKFINMUDS-AWEZNQCLSA-N 343.814 2.832 50 40 EFGB CCOc1cccc(/C=N/NC(=O)COc2ccc(CC)cc2)c1O 3578523 PSSVGAXAXPCWKV-UDWIEESQSA-N 342.395 2.882 50 40 EFGB COc1ccccc1C(=O)N/N=C(\C)c1ccc2c(c1)OCCO2 408586366 BMKCLMWOEBTUAO-XDHOZWIPSA-N 326.352 2.620 50 40 EFGB CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc1 3072721 YMJFSEVQMJZOJX-UDWIEESQSA-N 339.395 2.791 50 40 EFGB Cc1ccc(C(=O)NNC(=O)[C@@H](C)n2cnc3ccccc32)c(C)c1 31813305 HXYSFOCUTBMNKQ-CQSZACIVSA-N 336.395 2.675 50 40 EFGB COc1ccc(SCC(=O)N/N=C\c2cc(C)n(C)c2C)cc1 408778767 KBWBUMVYLIJFPJ-ZDLGFXPLSA-N 331.441 2.893 50 40 EFGB CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)NC2CC2)c1C 5870164 QWLIZBHABKHOHE-KNGSKEOJSA-N 343.427 2.632 50 40 EFGB COC(=O)c1ccc([C@H]2NC(=S)NC(C(C)(C)C)=C2C#N)cc1 409371010 AFXHHUWGYVXMEV-CYBMUJFWSA-N 329.425 2.816 50 40 EFGB COC(=O)c1cc(/C=C(\C#N)c2nnc3n2CCCCC3)oc1C 9365367 HXBCVBIKQARYNF-XYOKQWHBSA-N 326.356 2.757 50 40 EFGB O=C(O)COc1ccccc1/C=N\NC(=O)c1cc2ccccc2o1 33328397 GRGKQNBXRKYZAT-GRSHGNNSSA-N 338.319 2.660 50 40 EFGB COc1cc(/C=N/NC(N)=O)ccc1OCc1cccc(Cl)c1 41213782 GJSILAPROLQOCJ-DJKKODMXSA-N 333.775 2.930 50 40 EFGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1Cl 260625 AJOGRUFVTHIUOH-REZTVBANSA-N 347.714 2.741 50 40 EFGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccco2)cc(OC)c1O 13425312 SJYJLYCVQICRSC-DHDCSXOGSA-N 338.363 2.946 50 40 EFGB COc1ccc(CCCC(=O)N/N=C\c2ccc(O)cc2O)cc1C 4534853 XFYRNAQVPYUGOA-NDENLUEZSA-N 342.395 2.888 50 40 EFGB O=C(CNc1cccc(Br)c1)N/N=C/c1ccccc1O 60549 ZMGKLKGBKKAWFG-GIJQJNRQSA-N 348.200 2.717 50 40 EFGB CN(C)c1nc(N)nc(/C(C#N)=C\c2ccccc2C(F)(F)F)n1 48333761 DSWLVWXZNOJTTC-YFHOEESVSA-N 334.305 2.603 50 40 EFGB O=C(N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)cc1 33443799 LKGUGBRHUPCWDM-IDUWFGFVSA-N 347.714 2.741 50 40 EFGB Cc1cc(/C=C(\C#N)C(=O)Nc2nccs2)ccc1-n1cncn1 98056068 BVAKTJVJJFDKDN-NTUHNPAUSA-N 336.380 2.578 50 40 EFGB Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3ccccn3)c2)n1 130513 USVHYNAUQMQBAL-CIAFOILYSA-N 333.395 2.707 50 40 EFGB Cc1n[nH]c(C(=O)N/N=C/c2ccccc2Cl)c1/N=N/N(C)C 16932281 XCBMEIMBCIKJPR-ZIWHSNJVSA-N 333.783 2.696 50 40 EFGB CC(C)(C)C1CCC(=NNC(=O)CC(=O)NCc2cccnc2)CC1 59434414 YEYZASUHDUFJNO-UHFFFAOYSA-N 344.459 2.796 50 40 EFGB Cn1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)c2ccccc21 409041884 KNCVKTDAXGQVKK-GIJQJNRQSA-N 338.323 2.556 50 40 EFGB Cc1n[nH]c2c1[C@@H](c1c(F)c(F)c(F)c(F)c1F)C(C#N)=C(N)O2 4095177 IIJVIXAPMAVAEE-LURJTMIESA-N 342.227 2.632 50 40 EFGB CCOC(=O)c1nc2c(o1)NC(N)=C(C#N)[C@@H]2c1ccccc1Cl 125991 KCZUSYBXBGXVQA-NSHDSACASA-N 344.758 2.756 50 40 EFGB COc1cccc(NC(=O)C(=O)N/N=C\c2c(F)cccc2Cl)c1 59444784 CUZYFKWSUUWHFS-OCKHKDLRSA-N 349.749 2.577 50 40 EFGB CCOC(=O)NNC(=O)c1ccccc1SCc1c(C)noc1C 28636717 PPWODZNUIXAPJW-UHFFFAOYSA-N 349.412 2.975 50 40 EFGB CCCCc1[nH]nc2c1[C@@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 4631610 DXYBBQYHWQUFRY-HNNXBMFYSA-N 340.383 2.685 50 40 EFGB biogenic,in-vitro CN(C)c1nc(N)nc(/C(C#N)=C\c2nc(-c3ccccc3)cs2)n1 70040280 ZNTQCPXXGZFFQS-WQLSENKSSA-N 349.423 2.707 50 40 EFGB C=CCOc1ccc(/C=N\NC(=O)c2c(C)nc3ccccn23)cc1 408719183 KXRHKAGIUOWVCU-MOSHPQCFSA-N 334.379 2.971 50 40 EFGB COC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1OC 408838499 XBNPUUHEAUKYGT-YBFXNURJSA-N 342.351 2.913 50 40 EFGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(C(=O)O)cc2)c1C 12844003 XNXCWMAZWOERPF-KEBDBYFISA-N 340.379 2.839 50 40 EFGB C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(Cl)cc1)c1ccccc1 3147937 LDAPPCJDHZZJMG-ZGXHQARYSA-N 329.787 2.668 50 40 EFGB Cc1ccc(C(=O)NNC(=O)c2cccc(Br)c2)cc1 143080 ISMBSUUUKKIFNV-UHFFFAOYSA-N 333.185 2.832 50 40 EFGB C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)OC(C)=C1C(=O)OCC 2062091 XRBNMXHQTNDEPT-QGZVFWFLSA-N 340.379 2.896 50 40 EFGB CCOc1ccccc1OCC(=O)N/N=C(\C)c1cccc(N)c1 40460229 UIFWWLPJOZHVFX-DEDYPNTBSA-N 327.384 2.587 50 40 EFGB Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2cccs2)c1 2696285 GFQSPIYTSJPJFU-UHFFFAOYSA-N 345.424 2.545 50 40 EFGB CCc1ccc(OCC(=O)N/N=C/c2ccc3c(c2)OCCO3)cc1 3578496 HGMMNBDLLLGLNH-UDWIEESQSA-N 340.379 2.549 50 40 EFGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OC)c1OC 36223929 PLPVKLNBABVMPT-JAIQZWGSSA-N 346.358 2.544 50 40 EFGB C/C(Cc1ccccc1)=N\NC(=O)CN1C[C@@H](c2ccccc2)CC1=O 408976207 PRADOZKHFQRBGJ-QZMYASAMSA-N 349.434 2.737 50 40 EFGB CCc1ccc(/C(C)=N\NC(=O)CNc2ccc3c(c2)OCO3)cc1 408589050 KMHVGEMMWILQBS-BKUYFWCQSA-N 339.395 2.930 50 40 EFGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(C)nc1 261470 MAFADTCFKSNFTM-GIJQJNRQSA-N 348.200 2.925 50 40 EFGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3cccs3)ccc21 5636605 UUMRYDPHOFSHKB-UHFFFAOYSA-N 328.397 2.501 50 40 EFGB CCc1cc2cc(C)cc(C)c2nc1SCC(=O)NNC(C)=O 416743 DQQZTGWCRJKAID-UHFFFAOYSA-N 331.441 2.673 50 40 EFGB COC(=O)c1ccc(NC(C#N)=C2C(=O)c3ccccc3C2=O)cc1 149268 HKDFQMUIPPFULL-UHFFFAOYSA-N 332.315 2.742 50 40 EFGB N[C@H](CSCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 100498857 HKVBUQQIYTWJDP-OAHLLOKOSA-N 332.381 2.761 50 40 EFGB CCOc1ccccc1OCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 3039938 PMDBFJOIDSKRMB-WOJGMQOQSA-N 343.339 2.523 50 40 EFGB CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1cccc(Cl)c1 57509123 ASKUSNIKTZRQLQ-LBPRGKRZSA-N 329.183 2.750 50 40 EFGB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCl)c1 3885227 FFUFARRFTVYGTE-UHFFFAOYSA-N 339.244 2.548 50 40 EFGB COc1cc(C)c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 408549695 XDVOTLWVTKBLMT-VCHYOVAHSA-N 343.339 2.684 50 40 EFGB Cc1ccc(S(=O)(=O)N2Cc3cc([N+](=O)[O-])ccc3OC2=O)cc1 255188371 JOVNIBVLUJKRJG-UHFFFAOYSA-N 348.336 2.607 50 40 EFGB O=C(CCCSc1ccccc1)NNC(=O)Cc1ccccc1 6602262 DAGXHFGVQQIRQB-UHFFFAOYSA-N 328.437 2.949 50 40 EFGB O=C(CNc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 409377125 DXRLWRUCVUREKP-GIJQJNRQSA-N 332.747 2.810 50 40 EFGB O=C(N/N=C\c1ccc(N2CCOCC2)c(F)c1)Nc1ccccc1 409126222 BFMHAJRUWXXDHN-MOSHPQCFSA-N 342.374 2.818 50 40 EFGB O=C(Cc1ccccc1)OC[C@@H](Br)CBr 1676064 UQYYXCYPHYVPFV-JTQLQIEISA-N 336.023 2.931 50 40 EFGB C#CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1 409099586 OQLRYKASTDTZFI-IBGZPJMESA-N 346.342 2.645 50 40 EFGB N#C/C(=C/c1ccc(N2CCOCC2)cc1)C(=O)Nc1nccs1 3299275 VRMBXXCIDMGINP-KAMYIIQDSA-N 340.408 2.525 50 40 EFGB CC[C@@H](Br)C(=O)NCCC(=O)Nc1ccc(C)cc1 8733086 KFKCPXHEKNEBPA-GFCCVEGCSA-N 327.222 2.613 50 40 EFGB C[C@H](NC(=O)OCc1ccccc1)C(=O)N/N=C/c1ccc(F)cc1 3082249 GEYVGZKJZPCKPO-HSWQHBDASA-N 343.358 2.591 50 40 EFGB C/C(=N\NC(=O)c1c(C)nc2ccccn12)c1cccc([N+](=O)[O-])c1 5070979 AQRRJLGCHSWWPF-YBFXNURJSA-N 337.339 2.705 50 40 EFGB CCCc1[nH]nc2c1[C@H](c1c(OC)cccc1OC)C(C#N)=C(N)O2 5130813 LJBHLUXLFOKWEV-CQSZACIVSA-N 340.383 2.598 50 40 EFGB CCCCSC1=C(C#N)[C@H](c2ccccc2)[C@@H](C(=O)OC)C(=O)N1 409137859 YJYCQWDKSGTFKZ-LSDHHAIUSA-N 344.436 2.958 50 40 EFGB CC1=C(C)/C(=N/S(=O)(=O)c2ccccc2)[C@H](Cl)[C@@H](Cl)C1=O 101028255 VJLKICUZJPVTAP-HBGZKMQYSA-N 346.235 2.950 50 40 EFGB CCOc1ccccc1[C@H]1C(C#N)=C(N)OC(CC)=C1C(=O)OC 1476115 MSZPFNZGJDFISN-HNNXBMFYSA-N 328.368 2.730 50 40 EFGB Cc1ccc(N[C@H](C)C(=O)N/N=C/c2ccc(O)cc2O)c(C)c1 2750927 WGWDZRGWBJKMLT-BUESGFEBSA-N 327.384 2.665 50 40 EFGB O=C(NNC(=S)Nc1ccc(F)cc1)[C@H]1C[C@@H]1c1ccccc1 13635584 ISJSNAZFKHZSKF-CABCVRRESA-N 329.400 2.947 50 40 EFGB O=C(N/N=C(\CC(=O)C(F)(F)F)c1cccs1)c1cccnc1 408974613 FMXXDEVVTSNTOU-VXLYETTFSA-N 341.314 2.799 50 40 EFGB O=S(=O)(Nc1ccccn1)c1ccc(CCBr)cc1 41091683 ZITRRFZQIHNJKB-UHFFFAOYSA-N 341.230 2.820 50 40 EFGB CCOC(=O)/C(C#N)=C\c1cc(OC)c(OC)cc1Br 5795458 LQXDLZCNSJEANW-YHYXMXQVSA-N 340.173 2.936 50 40 EFGB Cc1n[nH]c2c1[C@H](c1ccc(F)c(Br)c1)C(C#N)=C(N)O2 340077 NQBBOHMULTUCFM-GFCCVEGCSA-N 349.163 2.838 50 40 EFGB COc1cc(C(=O)NNC(=O)c2sccc2C)ccc1OC(C)C 23159594 QVDXSGCKDVYPNW-UHFFFAOYSA-N 348.424 2.927 50 40 EFGB COC(=O)N1CCC(=NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1 54872195 BRXYXHQQWZXSDU-LLVKDONJSA-N 349.456 2.821 50 40 EFGB CCOc1ccccc1C(=O)N/N=C/c1ccc(OC)c(OC)c1 2771444 BWACQUIFENIBPG-XDHOZWIPSA-N 328.368 2.866 50 40 EFGB CC/C(C)=N/NC(=O)CC(=O)Nc1ccccc1Br 4414030 KXJUHYHDRSPNLP-CXUHLZMHSA-N 326.194 2.680 50 40 EFGB CN(CCC#N)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 3252694 IETGJWRVGHGFNO-LJQANCHMSA-N 346.390 2.960 50 40 EFGB O=C(Cc1ccccc1)NNC(=O)Cc1cccc(C(F)(F)F)c1 4674580 DEMCZVJCIYHKCJ-UHFFFAOYSA-N 336.313 2.638 50 40 EFGB CCc1ccc(CC(=O)N/N=C\c2ccc(OC)cc2OC)cc1 409364907 RFVUAVCJVCZBCT-MOSHPQCFSA-N 326.396 2.959 50 40 EFGB Cn1nc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1-c1ccccc1 253397343 FNZZGQXDMIXDMM-SFHVURJKSA-N 346.390 2.902 50 40 EFGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1 4525738 HNMYCNIDCJVVPB-DEDYPNTBSA-N 337.379 2.649 50 40 EFGB Cc1cccc(NC(=O)C(=O)N/N=C/c2c(F)cccc2Cl)c1 3080383 BYDZBTYFDAJXHE-DJKKODMXSA-N 333.750 2.876 50 40 EFGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC)ccc32)c(OC)c1 7516701 KQVODHYSXREVKR-SFHVURJKSA-N 338.363 2.931 50 40 EFGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2C)CC(=O)N1 9087704 DNFVFWJEFVGSDO-ZDUSSCGKSA-N 330.409 2.630 50 40 EFGB C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)c1ccncc1 100510107 NZCQSWYBJFHXCG-RGVLZGJSSA-N 330.775 2.870 50 40 EFGB C/C(=N\NC(=O)COc1cccc(C)c1)c1ccc2c(c1)OCCO2 5343560 VTBYWFYJACNSCM-XSFVSMFZSA-N 340.379 2.685 50 40 EFGB CCC[C@H](C(=O)OCC)/C(C)=N/NC(=O)Cc1ccc(OC)cc1 4508700 NSKOHTKCQHRJCQ-HUCUOGIVSA-N 334.416 2.709 50 40 EFGB COc1ccc(N/C=C(\C#N)S(=O)(=O)c2ccc(OC)cc2)cc1 18209245 UGFBMMIWAJANNA-SFQUDFHCSA-N 344.392 2.955 50 40 EFGB COc1cc(Cl)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c1O 408968765 YUIBUGMEGGGPIO-DNTJNYDQSA-N 347.733 2.829 50 40 EFGB Cc1cc2c(cc1/C=C(\C#N)C(=O)NCCc1ccccc1)OCO2 372555 VDZQRRRWVKSUDZ-LICLKQGHSA-N 334.375 2.990 50 40 EFGB Cc1cccc(OCC(=O)N/N=C/c2c[nH]nc2-c2ccccc2)c1 5003741 HKEDMJOONWZYHQ-RGVLZGJSSA-N 334.379 2.914 50 40 EFGB C/C(CC(=O)Nc1ccccc1F)=N\NC(=O)Cc1cccs1 101157986 OSKOZXJBBOBICV-YBFXNURJSA-N 333.388 2.951 50 40 EFGB O=C1COc2cc(NC(=O)NNc3ccccc3)c(Cl)cc2N1 69393114 HCADEOVIHRRPCG-UHFFFAOYSA-N 332.747 2.820 50 40 EFGB CC(C)C(=O)NNC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 32673856 JZXPISALGFOZBW-UHFFFAOYSA-N 340.427 2.694 50 40 EFGB O=C(N/N=C/c1cccc(Cl)c1Cl)C(=O)NC1CCCC1 59444290 FQSLWAYIXYMBOF-CAOOACKPSA-N 328.199 2.502 50 40 EFGB O=C(C=C(C1CC1)C1CC1)NNC(=O)c1cc(-c2ccccc2)on1 56293303 NGTCKXMHXAFFML-UHFFFAOYSA-N 337.379 2.849 50 40 EFGB CCOc1ccccc1NCC(=O)NNC(=O)c1ccc(Cl)cc1 8747200 CNHUDLXBBJVCJD-UHFFFAOYSA-N 347.802 2.612 50 40 EFGB CCOC(=O)/C(=N/Nc1cccc(C(F)(F)F)c1)C(=O)CCl 100206281 WBVBSFPOBVERHZ-YBFXNURJSA-N 336.697 2.844 50 40 EFGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1O 3193341 GJNCNWHEIDOXRQ-DEDYPNTBSA-N 335.363 2.955 50 40 EFGB CC(C)CC[C@@H](C[C@H](C)O)C(=O)NNC(=S)Nc1ccccc1 13656030 URZRFPBVFCXZCC-KBPBESRZSA-N 337.489 2.828 50 40 EFGB CCCCSC1=C(C#N)[C@@H](c2ccccc2)[C@@H](C(=O)OC)C(=O)N1 409137857 YJYCQWDKSGTFKZ-HUUCEWRRSA-N 344.436 2.958 50 40 EFGB O=C(COc1ccc(Br)cc1)N/N=C/c1cccc(O)c1 358465 FNGRYWQYEUXEIO-RQZCQDPDSA-N 349.184 2.684 50 40 EFGB CCc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)cc1 72341 VWWLDCGNGRHWHM-GOSISDBHSA-N 336.439 2.826 50 40 EFGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc([N+](=O)[O-])o1 60483 ZEUTZRYWGMGMEG-VXLYETTFSA-N 338.323 2.903 50 40 EFGB O=C(NNC(=O)c1cccc(OCc2ccccc2)c1)c1ccncc1 569084 PRKITAQGAKLRJS-UHFFFAOYSA-N 347.374 2.735 50 40 EFGB CCOc1ccccc1C(=O)NNC(=O)CNc1ccc(C)cc1C 8707074 POXOURRSHZFSOG-UHFFFAOYSA-N 341.411 2.575 50 40 EFGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2ccccn2)c1C 32846000 KVSCXAQQPMWURX-GZTJUZNOSA-N 339.395 2.797 50 40 EFGB Cc1cc(C)n(CC(=O)N/N=C2/CCSc3c(F)cccc32)n1 52932592 NGZBABWARIBQSC-JXAWBTAJSA-N 332.404 2.655 50 40 EFGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1O 4175581 MOPLKLOVAQZSHL-XYOKQWHBSA-N 339.307 2.855 50 40 EFGB CCOc1cc(/C=N/NC(=O)c2ccccc2N)cc(Cl)c1O 409040379 HYLGNBMDXIUWKX-DJKKODMXSA-N 333.775 2.790 50 40 EFGB O=C(O)COc1ccc(/C=N\NC(=O)Nc2ccccc2)cc1Cl 408859516 YHHXFRQBWCKKKU-NVMNQCDNSA-N 347.758 2.959 50 40 EFGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1O)c1cc2ccccc2o1 83329048 AWZMBPQNJPLZDD-MFOYZWKCSA-N 325.280 2.811 50 40 EFGB O=C(NNC(=O)c1ccc(Cl)cc1F)c1cc(Cl)ccc1O 12742245 IZRCYPODWMXKLH-UHFFFAOYSA-N 343.141 2.913 50 40 EFGB CCCCCCc1ccc([C@@H](C)NNC(=O)C2=NNC(=O)[C@H]2C)cc1 100937973 MPPNVTSKMXRIAH-UONOGXRCSA-N 344.459 2.613 50 40 EFGB Cc1cccc(C)c1NCC(=O)N/N=C\c1ccc([N+](=O)[O-])s1 13285917 YDQGQTNQSKMJMX-IUXPMGMMSA-N 332.385 2.835 50 40 EFGB CC1CC(=O)C([C@@H]2c3ccccc3CCN2C(=O)CCl)C(=O)C1 18046492 NBBCDHNHLILOSC-WICREQFHSA-N 333.815 2.536 50 40 EFGB Cc1ccc2c(c1)/C(=N\NC(=O)c1nc3ccccc3s1)C(=O)N2 6411495 BWEBROWFHGNPAI-UHFFFAOYSA-N 336.376 2.691 50 40 EFGB COc1ccc(/C=C(\C#N)C(N)=O)c(OCc2ccc(F)cc2)c1 408874316 BEAYVAZSHMPTOX-RIYZIHGNSA-N 326.327 2.806 50 40 EFGB Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@@H](C)CCCC(C)C 32801803 IOACMWNBAYWIIH-ZDUSSCGKSA-N 345.447 2.802 50 40 EFGB CC(C)(C)C(=O)/C=C/NNC(=O)c1cccc(Br)c1 59381712 YGSRIFJEPZIZJK-BQYQJAHWSA-N 325.206 2.812 50 40 EFGB Cc1cc(OCC(=O)N/N=C/c2ccc(O)cc2O)cc(C)c1Cl 504723 CHRUHVINBVNMGZ-UFWORHAWSA-N 348.786 2.897 50 40 EFGB CC[C@H](Nc1ccc(OC)cc1)C(=O)N/N=C/c1ccc(O)cc1 2747540 RJBBXNKPPYCPIT-DAQNXSASSA-N 327.384 2.742 50 40 EFGB CCN(NC(=O)c1cc(S(C)(=O)=O)ccc1C)c1ccc(C)cc1 8051576 XLJGLQXXQTUSPG-UHFFFAOYSA-N 346.452 2.878 50 40 EFGB C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C1/C(=O)Nc2ccccc21 8238635 LNAAVCAALFLYLP-JTQLQIEISA-N 343.770 2.580 50 40 EFGB O=C(N/N=C/c1ccccc1C(=O)O)c1ccc(Cl)c([N+](=O)[O-])c1 408783861 NVYFQRLUHREZHZ-CAOOACKPSA-N 347.714 2.710 50 40 EFGB COc1ccc(/C=C/C(=O)NN)cc1OCc1ccccc1Cl 216901254 DAYDPYGEOXMZAT-VQHVLOKHSA-N 332.787 2.931 50 40 EFGB CCOc1ccccc1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-] 33778249 ZHPQRVJDEBBQET-PDGQHHTCSA-N 327.340 2.686 50 40 EFGB O=C(CCC(=O)N/N=C/[C@@H]1CC=CCC1)N/N=C/[C@@H]1CC=CCC1 5631078 NWGWLEORVGCBRU-XYGGEOSRSA-N 330.432 2.683 50 40 EFGB CCOc1ccc2ccccc2c1/C=N/NC(=O)CC1(C)OCCO1 257301 PLMXENZVCZGCHM-DEDYPNTBSA-N 342.395 2.842 50 40 EFGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccccn1 123582 WFJYRXASATWYOD-RGVLZGJSSA-N 339.786 2.993 50 40 EFGB CCc1ccc2c(c1)/C(=N\NC(=O)Oc1ccc(OC)cc1)C(=O)N2 59472586 XPMSCSQPBBZLPD-UHFFFAOYSA-N 339.351 2.702 50 40 EFGB Cn1cc(C(=O)NNC(=O)[C@]2(C)CC2(Cl)Cl)c2ccccc21 24476501 AGMMOWCDHNIYIE-AWEZNQCLSA-N 340.210 2.523 50 40 EFGB CN(C)c1cccc(C(=O)NNC(=O)/C=C/c2cccc(Cl)c2)c1 8232230 RBUIMBWNCPHXJU-MDZDMXLPSA-N 343.814 2.880 50 40 EFGB Nc1ccccc1C(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 408728970 WSERUWQKYOQYJL-SRZZPIQSSA-N 349.346 2.991 50 40 EFGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2OCC#N)cc1 408818765 YVRLONNYQIBVNJ-ATVHPVEESA-N 347.374 2.821 50 40 EFGB Cc1cc(O[C@@H](C)C(=O)NNC(=O)c2ccccn2)ccc1C(C)C 40142849 WDXDGJIXQNAKHE-AWEZNQCLSA-N 341.411 2.742 50 40 EFGB Cn1cccc1CC(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1 3192666 WGMDJUBPESIPHS-UHFFFAOYSA-N 341.198 2.727 50 40 EFGB CCc1[nH]nc2c1[C@H](c1ccc(N3CCCC3)cc1)C(C#N)=C(N)O2 4451036 JVMKWXXNWJERJN-MRXNPFEDSA-N 335.411 2.790 50 40 EFGB Cc1cccc2cc(/C=N/NC(=O)CC3(C)OCCO3)c(Cl)nc12 408726386 BJGLIKSKFKREJX-VXLYETTFSA-N 347.802 2.800 50 40 EFGB O=C(N/N=C/c1ccc(F)s1)c1ccn(COc2ccccc2)n1 252495803 PAOKTFXQMKIORR-VCHYOVAHSA-N 344.371 2.884 50 40 EFGB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/NNC(=O)c1ccccc1 100041125 OFYGVQXKIOOSLU-LDADJPATSA-N 348.406 2.844 50 40 EFGB N#Cc1ccc(C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)c(F)c1 564299 VBKBUOPZKBBGHU-IFRROFPPSA-N 345.717 2.843 50 40 EFGB Cc1ccc(NCC(=O)NNC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)c(C)c1 102998366 SZZLXOTWWJNPAT-OAGGEKHMSA-N 329.444 2.689 50 40 EFGB Cc1ccc(C(=O)NNC(=S)NCCCc2ccccc2)cc1 408585324 DLRQDRQGNWNLMK-UHFFFAOYSA-N 327.453 2.737 50 40 EFGB COC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(Br)cc1 5728235 XYHOUGSTIOKDTN-POHAHGRESA-N 332.157 2.919 50 40 EFGB Cc1nnc(SC[C@H](Cl)CSc2ccccc2)[nH]c1=O 16779270 WRJNGZGGVQQYMH-SNVBAGLBSA-N 327.862 2.965 50 40 EFGB Cc1ccc(C(=O)N/N=C/c2ccc(I)o2)o1 257313 OCVNPUBZHPLWKA-AWNIVKPZSA-N 344.108 2.550 50 40 EFGB C/C(N)=C(\C#N)C(=O)CSc1nnc(Nc2ccccc2)s1 104875293 MZWFZPWOMBYKKZ-LUAWRHEFSA-N 331.426 2.699 50 40 EFGB C/C(CC(=O)Nc1ccccc1Cl)=N\NC(=O)c1ccccn1 101159395 QLAPDQDLCYUCCF-RGVLZGJSSA-N 330.775 2.870 50 40 EFGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(C)nc1C 2749626 JOHMFZPJZUACEG-IZZDOVSWSA-N 330.775 2.936 50 40 EFGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)NCC)cc1OCC 408817687 WVAFQPDHOIRBSD-MDWZMJQESA-N 332.787 2.794 50 40 EFGB O=C(OC(=O)[C@](F)(Cl)C(F)(F)F)[C@](F)(Cl)C(F)(F)F 167907364 LISASEROUGWAKR-QWWZWVQMSA-N 342.953 2.990 50 40 EFGB CCc1c(C(=O)NNC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)csc1C 102242144 OLYVILMCKRBCMW-GYSYKLTISA-N 337.514 2.916 50 40 EFGB COc1cccc(/C=N/NC(=O)CCCC(=O)NC2CCCCC2)c1 3667077 OTYYRZFUZWEQNP-XSFVSMFZSA-N 345.443 2.765 50 40 EFGB O=C(CO)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12 4525872 LEWBGNQMMVZTEC-CIAFOILYSA-N 334.375 2.861 50 40 EFGB CCOc1cc2c(cc1/C=N\NC(=O)c1ccccc1F)OCO2 409117068 MZSXHJYSIXYGAF-OCKHKDLRSA-N 330.315 2.717 50 40 EFGB CC(C)c1ccc2c(c1)/C(=N/NC(=O)C1CC1)C(=O)N2C1CSC1 223729447 RJYAGWYQOAHVRA-MNDPQUGUSA-N 343.452 2.502 50 40 EFGB C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 5002716 GWOYREKUTVSBTB-YBEGLDIGSA-N 328.284 2.657 50 40 EFGB CN(C)C(=O)/C(C#N)=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 15231232 SNKFLTVBKLYRMS-LCYFTJDESA-N 338.323 2.777 50 40 EFGB O=C(O)c1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1 431627 XZMYLPYGMIJSHJ-RQZCQDPDSA-N 347.168 2.911 50 40 EFGB COc1ccc(OCC(=O)N/N=C(\C)c2ccc(OC)cc2)cc1 5164381 GDEYIJUNOQJMAG-CPNJWEJPSA-N 328.368 2.623 50 40 EFGB CC/C(C)=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 4401923 MYEOYMKLDMHEQB-GNFOSXPUSA-N 337.423 2.930 50 40 EFGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)COc2ccccc2C)cc1 408834389 YSFBGKXZNYSQDP-KGENOOAVSA-N 339.395 2.873 50 40 EFGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccc(F)cc2)cc1 408998786 CDQQRISTDWBIFU-WSDLNYQXSA-N 341.386 2.716 50 40 EFGB N#C/C(=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1)C(N)=O 408993360 VSRPGCVNOLQCAA-YRNVUSSQSA-N 326.337 2.533 50 40 EFGB O=C(N/N=C\c1ccc(Br)c([N+](=O)[O-])c1)c1ccncc1 36009210 CUFZCAUAEANXGX-PXNMLYILSA-N 349.144 2.516 50 40 EFGB CC1=C[C@@]2(Nc3cc(C)cc(Br)c3O2)C(C#N)=C(N)O1 40545188 RHKRCJCIJVGZMT-AWEZNQCLSA-N 334.173 2.886 50 40 EFGB COc1ccc(CC(F)(F)F)c(/C=N/NC(=O)c2ccncc2)c1 95611624 DRIMTBFLROTYQG-UFFVCSGVSA-N 337.301 2.959 50 40 EFGB COc1ccc(C(=O)NNC(=O)Cc2ccccc2)c2ccccc12 13024253 KGTSGWPLVSMFOG-UHFFFAOYSA-N 334.375 2.852 50 40 EFGB CC(C)N1C[C@@H](C(=O)NN=C(c2ccccc2)c2ccccc2)CC1=O 69351950 OACYUYLFWYCRAC-SFHVURJKSA-N 349.434 2.812 50 40 EFGB C=CCOc1cccc(/C=N\NC(=O)c2c(C)nc3ccccn23)c1 38379133 GIXHPCMPAKNDFL-MOSHPQCFSA-N 334.379 2.971 50 40 EFGB CC1(C)CC(=O)C=C(NNC(=O)c2ccccc2Br)C1 5445894 FKBUQGMZPNYQEZ-UHFFFAOYSA-N 337.217 2.957 50 40 EFGB Cc1cc(OCCCC(=O)NN)c(Br)c(C)c1Cl 1787371 NPZPOLSAXAQUFC-UHFFFAOYSA-N 335.629 2.868 50 40 EFGB Cc1noc2nc(C3CC3)cc(C(=O)NNC(=O)c3cccs3)c12 69327178 ZUHHYMOTGIBTCM-UHFFFAOYSA-N 342.380 2.545 50 40 EFGB O=C(CSCc1ccccc1)NNC(=S)Oc1ccccc1 18192302 HOYRIMYMNPJZDL-UHFFFAOYSA-N 332.450 2.905 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)Cc2ccc(C)cc2)cc1[N+](=O)[O-] 409366560 WDTMCGBYZDDEKZ-CPNJWEJPSA-N 341.367 2.995 50 40 EFGB Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)c(Cl)c1 409054224 STLKKTUVBCERLX-DJKKODMXSA-N 346.770 2.876 50 40 EFGB N#CSc1ccc(NS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 95471454 PNXCGFSNDBKRCW-UHFFFAOYSA-N 335.366 2.969 50 40 EFGB N#CCn1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 6045770 RITXCLNPHYPAAZ-RGVLZGJSSA-N 347.334 2.837 50 40 EFGB COc1ccc(CCCC(=O)N/N=C/c2ccc(O)cc2O)cc1 50327 WDJIYQUSOYWJLW-XDHOZWIPSA-N 328.368 2.579 50 40 EFGB Cc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)c(C)c1 3030204 CVLMUVURHORVPL-LZYBPNLTSA-N 333.369 2.802 50 40 EFGB N#CC1=C[C@H](Br)[C@@]23C[C@@]12[C@@H](Br)C=C3C#N 109606220 UIZAZOJTTAAYEA-NAKRPEOUSA-N 325.991 2.817 50 40 EFGB COC[C@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(-c2cc(C)on2)c1C 8205589 VWFGBFVPOJCHOI-MJOIQJIUSA-N 343.383 2.876 50 40 EFGB Cc1nc(N2CCOCC2)sc1C(=O)NN=C1CCCCCC1 8498564 NICQMOIGFHDYKP-UHFFFAOYSA-N 336.461 2.728 50 40 EFGB CCc1ccc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1 13847808 RHMUKUKUMRFIDH-YBFXNURJSA-N 341.367 2.995 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)c2nc3ccccn3c2C)c(O)c1 4863956 ZBKPBLWPMPZFCT-RGVLZGJSSA-N 338.367 2.511 50 40 EFGB C[C@]1(C(=O)NNC(=O)Nc2ccc(Cl)cc2)C[C@@H]1Br 4823443 GDYXQRVVOKUKDM-CABZTGNLSA-N 346.612 2.666 50 40 EFGB COc1cccc(C(=O)N/N=C\c2cc(Br)ccc2O)c1 108515839 VHTQTJBNYMDOKH-MFOYZWKCSA-N 349.184 2.927 50 40 EFGB Cc1ccc(NC(=O)N/N=C\c2ccc(N3CCOCC3)o2)cc1C 409014924 QHCXLSGPIURVBE-UNOMPAQXSA-N 342.399 2.889 50 40 EFGB C/C(=N\NC(=O)[C@@H]1CCCO1)c1c(C)nn(-c2ccccc2)c1C 98055562 PLRVOWDSMSSJTP-QUYZQLMHSA-N 326.400 2.508 50 40 EFGB COc1ccccc1/C=N/NC(=O)CN1Cc2cc(C)c(C)cc2C1 8336803 PMJLTBKSHBGRMT-UFFVCSGVSA-N 337.423 2.778 50 40 EFGB O=C(CCC(=O)c1cccs1)NNC(=O)c1cccc(Cl)c1 3614007 ZDMUBNYLVQRJCI-UHFFFAOYSA-N 336.800 2.826 50 40 EFGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)c([N+](=O)[O-])c2)c1 408905237 VQJMMOUCNJYDGH-GHXNOFRVSA-N 339.307 2.855 50 40 EFGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(F)cc2)[C@H]2CSCC=C12 20026734 OWRZYFCVHSQAEN-JKSUJKDBSA-N 336.395 2.982 50 40 EFGB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2/C(Cc1ccccc1)=N\NC(N)=O 4701270 PNTISAYRPWEGBH-NHXUOWRRSA-N 327.428 2.895 50 40 EFGB O=c1[nH]c(=S)n2c(c1-c1ccccc1)O[C@@H](CBr)C2 6575828 CIWYNBFHKWNZQH-VIFPVBQESA-N 339.214 2.729 50 40 EFGB Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccc(F)cc1 409094110 CUTVYWLQYKCURL-FYJGNVAPSA-N 341.386 2.735 50 40 EFGB O=C(NNC(=O)c1cccc(Cl)c1)c1ccc(-n2ccnc2)cc1 32779757 DYOUWHAFURGTDR-UHFFFAOYSA-N 340.770 2.601 50 40 EFGB COc1cccc([C@@H]2Nc3nc4ccccc4n3C(N)=C2C#N)c1OC 20086213 XGGCHMGNTMSHSW-INIZCTEOSA-N 347.378 2.871 50 40 EFGB CCOC(=O)/C(C#N)=C(/SC)[C@H]1CCCC/C1=C(/C#N)C(=O)OC 100993125 UPJCJYZTRZQIRH-QSEAVHLOSA-N 348.424 2.874 50 40 EFGB C/C(CCc1ccc2c(c1)OCO2)=N\NC(=O)c1ccccc1O 5494682 XBMTXYVJEQGCEE-XDHOZWIPSA-N 326.352 2.859 50 40 EFGB COc1cccc(CC(=O)N/N=C\c2ccc(N3CCCC3)o2)c1 408846646 RDBKIZCFGDONIV-UYRXBGFRSA-N 327.384 2.581 50 40 EFGB COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)C(=O)NC1CCCC1 409187757 BNQBFGWIRNRQSI-GHXNOFRVSA-N 345.355 2.578 50 40 EFGB CC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@H](n2cnc3c(N)ncnc32)O1 195496519 JROPDPSZZDSLDJ-NWDGAFQWSA-N 347.495 2.884 50 40 EFGB COC(=O)/C(C#N)=C\c1ccc(-c2cc([N+](=O)[O-])ccc2OC)o1 252494635 OAQVHNIXQJNTNA-YFHOEESVSA-N 328.280 2.943 50 40 EFGB NNC(=O)CC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NC1 100039466 ITDGWKGPFGHOPP-UHFFFAOYSA-N 326.787 2.644 50 40 EFGB N#CSc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 2651865 JNRDICKOWOMUQK-UHFFFAOYSA-N 348.405 2.832 50 40 EFGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(O)cc1 4735230 XJFPAZCHEWWBBH-LICLKQGHSA-N 333.185 2.848 50 40 EFGB CCOc1cc(/C=N/NC(N)=O)ccc1OCc1ccc(F)cc1 5953503 WFSQKLKHRNRSSY-KEBDBYFISA-N 331.347 2.806 50 40 EFGB O=C(N/N=C/c1ccc(I)cc1)c1ccco1 59502749 SPYRZQRAKLRWBJ-RIYZIHGNSA-N 340.120 2.648 50 40 EFGB CCOc1ccc(N[C@@H](CC)C(=O)N/N=C/c2cccnc2)cc1 2748120 KVEGEHKNVYGTGG-NNIWKIFQSA-N 326.400 2.821 50 40 EFGB CN(C)c1ccc(/C=N/NC(=O)c2cccnc2)cc1Br 9886758 IRPCTBRLWGFNGI-GIJQJNRQSA-N 347.216 2.674 50 40 EFGB O=C(NNC(=O)C1CCCCC1)c1ccccc1Br 512371 TXSHSFFLNDCEFQ-UHFFFAOYSA-N 325.206 2.790 50 40 EFGB O=C(N/N=C1\CCc2c(Cl)cccc21)[C@@H]1COc2ccccc2O1 84583049 ZABVMOVFEMLNLV-TYSUYXETSA-N 342.782 2.947 50 40 EFGB Cc1cccc(O[C@H](C)C(=O)N/N=C\c2ccc(N(C)C)cc2)c1 32109256 AGTQVAFLKQXZKB-CTFRJJSNSA-N 325.412 2.979 50 40 EFGB CC1(C)C(Br)=C(CSS(C)(=O)=O)C(C)(C)N1O 22053337 KUZFUMWORONOQW-UHFFFAOYSA-N 344.296 2.590 50 40 EFGB in-vitro CC1(C)[C@H](C(=O)NNc2ncnc3ccccc23)CC[C@]1(C)C(=O)O 6086115 JJYRYAFWRMDCDW-KPZWWZAWSA-N 342.399 2.600 50 40 EFGB CC(=O)N(CCCI)OCc1ccccc1 65743072 WMIJZGJNWZOKBS-UHFFFAOYSA-N 333.169 2.792 50 40 EFGB in-vitro CCOc1cc([N+](=O)[O-])cc(/C=C(/C#N)C(=O)NC2CCCC2)c1O 409196151 UBRNHJIHZRETKA-GHXNOFRVSA-N 345.355 2.665 50 40 EFGB COc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OC)c(OC)c1 85408989 INEIIWNLGICCQL-GOSISDBHSA-N 338.363 2.931 50 40 EFGB CN(C)c1nc(N)nc(/C(C#N)=C/c2cccc(Cl)c2Cl)n1 11297785 MBFGBAZKWDPBFX-RMKNXTFCSA-N 335.198 2.891 50 40 EFGB C/C(N)=C(\C#N)C(=O)COC(=O)C1c2ccccc2Oc2ccccc21 104505776 AHVCAYJNBFVSOP-QINSGFPZSA-N 348.358 2.793 50 40 EFGB COc1ccc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc1[N+](=O)[O-] 216045838 RRSMESRBUBUUPO-ODLFYWEKSA-N 341.367 2.913 50 40 EFGB CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4cccs4)[C@H]3[C@H]1CC2 101864810 VCWFGDAOTFYHFQ-PREXVCJDSA-N 347.447 2.634 50 40 EFGB O=C1C[C@]2(C[C@@H](Cl)N=N2)C(=O)N1c1cccc(Br)c1 4698143 IEXNVYZQRHBDQT-JOYOIKCWSA-N 342.580 2.872 50 40 EFGB C/C(=N\NC(=O)c1ccoc1C)[C@H](c1ccccc1)N1CCOCC1 8101259 WMGQLGMOOKSEOT-SQVRNEIYSA-N 341.411 2.767 50 40 EFGB Cc1cc(/C=C(/C#N)C(=O)N2CCOCC2)c(C)n1-c1ccccc1 33299931 DRSJOIWQNWMDHC-AQTBWJFISA-N 335.407 2.860 50 40 EFGB CCOc1ccc(/C=N/NC(=O)c2ccccc2N)cc1OCC 41214172 PXWVYTHWULFDNE-UDWIEESQSA-N 327.384 2.830 50 40 EFGB COc1cc(OC)c(OC)cc1/C=C(/C#N)C(=O)NC1CCCC1 208757482 WDDXRCUWZOKGOD-JYRVWZFOSA-N 330.384 2.678 50 40 EFGB COc1ccccc1OCC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1 5494584 MHSUWHUEYXDHGA-LDADJPATSA-N 343.339 2.523 50 40 EFGB CC(C)(C)OC(=O)N1[C@H](CI)COC1(C)C 32629076 RAGBRZVZDZOFAI-MRVPVSSYSA-N 341.189 2.793 50 40 EFGB in-vitro CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)CCl)cc2C1 3327242 JOKIKXBTFOWSCI-JTQLQIEISA-N 328.865 2.899 50 40 EFGB COc1ccc(/C=N/NC(=O)CC2(C)SCCS2)cc1OC 409255151 HFUAFTVXFYZEDS-MHWRWJLKSA-N 340.470 2.740 50 40 EFGB O=C(N/N=C/c1ccc(Br)o1)c1ccccc1[N+](=O)[O-] 408598499 BPKPHNIEOFQSQK-VGOFMYFVSA-N 338.117 2.714 50 40 EFGB COc1cccc(/C=N/NC(=O)CSc2ccccc2)c1OC 222682 DXRBWGJGQLDYJM-WOJGMQOQSA-N 330.409 2.946 50 40 EFGB COc1ccc(-c2ccc(/C=C(\C#N)C(=O)N3CCOCC3)o2)cc1 272163 PWBRIBRNZHZRJL-NTCAYCPXSA-N 338.363 2.721 50 40 EFGB N#C/C(=C/c1cccc2ccccc12)c1nn(CCO)c(N)c1C#N 4596757 ACYKMQHFKZVFEB-GDNBJRDFSA-N 329.363 2.547 50 40 EFGB CC1=NN(C(=O)c2ccccc2)[C@](C)(NNC(=O)c2ccccc2)C1 52680 QOWIXBAPAHRTTO-IBGZPJMESA-N 336.395 2.559 50 40 EFGB C=CCc1cccc2cc(C(=O)NNC(=O)c3ccccc3)c(=O)oc12 192404 JFUYUAVQKRYGTO-UHFFFAOYSA-N 348.358 2.596 50 40 EFGB COc1ccc(C)cc1-n1ccc(C(=O)NN(C)c2ccccc2)n1 58416708 GQVIXPOPAGCWRL-UHFFFAOYSA-N 336.395 2.971 50 40 EFGB Cc1ccsc1C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 9915606 BVXBPPNLUHPCRQ-UHFFFAOYSA-N 326.381 2.521 50 40 EFGB Cn1cccc1/C=N/NC(=O)C(Oc1ccccc1)Oc1ccccc1 137715 FAPNOFDMFAQWAV-RCCKNPSSSA-N 349.390 2.959 50 40 EFGB CCN1C(=O)/C(=N\NC(=O)c2ccccc2Cl)c2ccccc21 15658725 JJGPKMBBWZMBDG-CYVLTUHYSA-N 327.771 2.841 50 40 EFGB CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccs3)[C@H]2C1 495481 DHUMSAGOMXLYKP-RDJZCZTQSA-N 349.463 2.882 50 40 EFGB C[C@@H](C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2)C(F)(F)F 72302673 ODSQBCDSZMLHAO-RXOVYUGGSA-N 332.366 2.939 50 40 EFGB CCOc1ccccc1/C=N/NC(=O)Cc1ccc2c(c1)OCO2 409269153 GBLDKQRNLXHNHL-YBFXNURJSA-N 326.352 2.507 50 40 EFGB CCOc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OC 409194325 AOENVQPWYZAMFV-WMRWHDLOSA-N 337.379 2.851 50 40 EFGB C#CCn1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 409173925 POMOHOHOEYJLLJ-UDWIEESQSA-N 346.346 2.947 50 40 EFGB CCOc1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)cc1OC 487124 UMQHCZMJJFUNMP-SRZZPIQSSA-N 345.374 2.795 50 40 EFGB COc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)c(OC)c1 7066333 MRTQBDOMIDCLPD-SFQUDFHCSA-N 336.391 2.970 50 40 EFGB Cn1cccc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 6452693 RMMUBLASDCZJQK-CXUHLZMHSA-N 328.353 2.912 50 40 EFGB CCc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 108578479 AVHDIOWOPGKVQZ-ODLFYWEKSA-N 329.787 2.991 50 40 EFGB Cc1nn(CCC#N)cc1/C=N/NC(=O)C12CC3CC(CC(C3)C1)C2 5523408 QTMZISSNIGUPID-SRZZPIQSSA-N 339.443 2.772 50 40 EFGB Cc1[nH]c2ccc(C(=O)NNC(=O)c3ccccc3F)cc2c1C 6758155 SODAEOJJKAAIOK-UHFFFAOYSA-N 325.343 2.999 50 40 EFGB COc1cccc(C(=O)N/N=C(\C)c2ccc(OC)cc2OC)c1 409141246 MSFZJXLZMXGSDB-XDHOZWIPSA-N 328.368 2.866 50 40 EFGB CCOC(=O)[C@H](Cl)C/C(C)=C/CS(=O)(=O)c1ccccc1 5459603 TXXJTWOHGAPQAW-BRADTZPFSA-N 330.833 2.967 50 40 EFGB CO[C@H](C(=O)N/N=C(\C)CC(=O)Nc1ccccc1)c1ccccc1 105441390 KYAJSDKKFPOZJK-SXZORUHJSA-N 339.395 2.895 50 40 EFGB COc1ccc(C(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)cc1 408719317 BOXVOVBPOUMLJW-UDWIEESQSA-N 325.368 2.808 50 40 EFGB O=C(Nc1cccc(N2CCOC2=O)c1)N1CCSSCC1 89779573 AXJMIDYUSRFQKZ-UHFFFAOYSA-N 339.442 2.872 50 40 EFGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 35077734 VNNFVPDQLWCFPC-WOJGMQOQSA-N 341.323 2.520 50 40 EFGB CN(C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)CCl 79392652 YAOHDXNNKFCZNZ-HNNXBMFYSA-N 338.835 2.732 50 40 EFGB COc1ccc(NC(=O)COC(=O)CCCCBr)cc1 80338712 RNFYSVXAAQCSAF-UHFFFAOYSA-N 344.205 2.742 50 40 EFGB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NNC(=O)c1ccc(C)cc1 4454372 XYIMGTGSPIYBQP-JXAWBTAJSA-N 348.406 2.926 50 40 EFGB CC1(C)CC(=O)[C@H](C(=O)/C=C/c2ccco2)C(=O)[C@@H]1Br 104832370 UMCMRJQFKGPVLH-GSKXSAQWSA-N 339.185 2.810 50 40 EFGB C/C(=N\NC(=O)C(=O)Nc1cccc(Cl)c1C)c1ccncc1 5185518 YRIMVCFQFFCJGO-RGVLZGJSSA-N 330.775 2.522 50 40 EFGB COC(=O)Oc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1OC 408859268 NRSSFHMGVCAFJX-XDHOZWIPSA-N 342.351 2.533 50 40 EFGB CC1(C)CC(=O)C2=C(C1)O[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C2N 177357 NAKKXWNHDBUKGK-SFHVURJKSA-N 338.363 2.866 50 40 EFGB O=S(=O)(CC(Br)Br)c1ccccc1 1679945 NLMLAHQQENAYBM-UHFFFAOYSA-N 328.025 2.576 50 40 EFGB CCCCCCc1ccc([C@H](C)NNC(=O)C2=NNC(=O)[C@H]2C)cc1 100937975 MPPNVTSKMXRIAH-KBPBESRZSA-N 344.459 2.613 50 40 EFGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(Cl)cc1 2661019 JDDUBOCBRCWAKZ-UHFFFAOYSA-N 327.771 2.825 50 40 EFGB Cc1ccc(C(=O)N/N=C/c2ccc(O[C@H](C)C(=O)O)cc2)cc1 59247851 IAXYOUIYNRFQHD-OTGIAGGSSA-N 326.352 2.611 50 40 EFGB O=C(NNC(=O)c1cc(F)ccc1Br)c1cccs1 8184928 MSLCRAHVMQFCJD-UHFFFAOYSA-N 343.177 2.725 50 40 EFGB Cc1ccsc1/C=N/NC(=O)CCC(=O)NCc1ccccc1 4680538 CTFUBMWGBCEEAT-XDHOZWIPSA-N 329.425 2.603 50 40 EFGB O=C(CN(Cc1ccccc1)C(=O)CCl)NCc1ccccc1 77272605 KAXDPJWZBVWQEG-UHFFFAOYSA-N 330.815 2.570 50 40 EFGB in-vitro N#C/C(=C\c1c(-c2ccccc2)nc2sc(C3CC3)nn12)C(N)=O 41074199 WZCOYNZPFLGUHH-XYOKQWHBSA-N 335.392 2.727 50 40 EFGB CCOc1cccc(/C=N/NC(=O)COc2ccc(C)c(C)c2)c1O 3106867 JCXALVNJCHXJHG-RGVLZGJSSA-N 342.395 2.937 50 40 EFGB COC(=O)N/N=C1/C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 6372033 XMIXIBNTTWJLHG-XDJHFCHBSA-N 343.770 2.947 50 40 EFGB CC1=NN=C(O)[C@@H]1CC(=O)N/N=C/c1ccccc1C(F)(F)F 9108740 UNEAMWINSJTHNZ-NZWFQIHVSA-N 326.278 2.508 50 40 EFGB O=C(CCCCl)NC(=S)Nc1ccc(Cl)cc1C(=O)O 6925725 JLGWWWXLDNYEQH-UHFFFAOYSA-N 335.212 2.870 50 40 EFGB CCOc1ccccc1C(=O)NNC(=O)c1ccccc1OCC 1690178 OFVIMEANDFJSDE-UHFFFAOYSA-N 328.368 2.559 50 40 EFGB COc1ccc2c(c1)c(C(=O)N/N=C/c1cccc(O)c1)c(C)n2C 493533 VQYSXDXQAVSPLT-RGVLZGJSSA-N 337.379 2.965 50 40 EFGB COc1ccc(C(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)c(OC)c1 107975760 NCNZRZOXHVWTJM-WOJGMQOQSA-N 343.339 2.766 50 40 EFGB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNc1ncnc2ccccc12 3423964 SRWZPRPNGKVWGS-JXMROGBWSA-N 335.323 2.695 50 40 EFGB Cn1c(CC(=O)N/N=C2/CCCc3ccccc32)nc2ccccc21 96708645 ITPFXBHZCDAEKL-JWGURIENSA-N 332.407 2.973 50 40 EFGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccnn1-c1ccccc1 253403814 QMGLTLAVHUFHSM-KRWDZBQOSA-N 332.363 2.687 50 40 EFGB CN(C)/N=N/c1ccc(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])cc1 17061209 QQFXBPGVISSOCW-LRNOFODQSA-N 340.343 2.919 50 40 EFGB COc1cc(/C=C/C(=O)c2sc(NNC(C)=O)nc2C)ccc1O 6483806 MKNQSOYFHIMOAT-FNORWQNLSA-N 347.396 2.525 50 40 EFGB CC(C)OP(=O)(OC(C)C)/C(=N/O)NNC(=O)c1ccccc1 4013399 SFAITFZIOYCOTF-UHFFFAOYSA-N 343.320 2.709 50 40 EFGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)o2)cc1 408793817 GSOZJDYHVICORY-FMIVXFBMSA-N 326.308 2.620 50 40 EFGB O=C(/C=C/c1ccc(Cl)cc1Cl)NNC(=O)c1ccncc1 569224 WVGQGVZQYFQFBJ-DUXPYHPUSA-N 336.178 2.863 50 40 EFGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(F)cc2)cc1Cl 59459799 BCVGZYGIXXVBKP-DJKKODMXSA-N 349.749 2.577 50 40 EFGB CCCCC[C@H](C)CNC(=S)NNC(=O)c1n[nH]c2ccccc12 7810481 PCCDXACXVGSKCI-LBPRGKRZSA-N 347.488 2.888 50 40 EFGB N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)O 4513245 TZDIIPWGCAABCV-FMIVXFBMSA-N 337.291 2.839 50 40 EFGB NNC(=O)c1ccc2oc(-c3ccccc3Br)nc2c1 216791584 YTWGAMINGJXJNZ-UHFFFAOYSA-N 332.157 2.861 50 40 EFGB O=C(CCNc1ccccc1)NNC(=O)C12CC3CC(CC(C3)C1)C2 45175403 RBTBGDZBVZZXEI-UHFFFAOYSA-N 341.455 2.852 50 40 EFGB CCCOc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1 8108456 JPQSROGYKJILPD-TYJAPOHBSA-N 340.379 2.766 50 40 EFGB CCOC(=O)[C@@H](Cl)C/C(C)=C/CS(=O)(=O)c1ccccc1 5460077 TXXJTWOHGAPQAW-TZIYXEQSSA-N 330.833 2.967 50 40 EFGB O=C(NN[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccccn1 32853650 CZKLQKIETLOSMP-SFHVURJKSA-N 346.390 2.696 50 40 EFGB O=C1S[C@@H](Nc2ccc(F)cc2)C(=O)N1CCBr 12289127 MIXLZDVFDLNMFM-SECBINFHSA-N 333.182 2.654 50 40 EFGB COc1cccc(/C=N/NC(=O)CCOc2ccccc2C)c1OC 224885 MGCOPSOESVGIOA-DEDYPNTBSA-N 342.395 2.931 50 40 EFGB O=C(N/N=C/c1cc([N+](=O)[O-])c2cccnc2c1O)c1ccccc1 59459107 UAEXRXGQRDGMRD-VXLYETTFSA-N 336.307 2.613 50 40 EFGB C[C@H](Br)C(=O)NCC1(c2ccccc2)CCOCC1 545657 UCUNJRBFRWXLPO-LBPRGKRZSA-N 326.234 2.634 50 40 EFGB Cc1ccc(C(=O)N/N=C/c2cc(Br)cc(C)c2O)cn1 3024115 HNHSELDHSWDILV-QGMBQPNBSA-N 348.200 2.930 50 40 EFGB C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C 195788178 CTMXPIJTHHSEEF-NSHDSACASA-N 349.652 2.926 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2C)cc1O 491989 CAQBWGSIHURPSA-DJKKODMXSA-N 348.786 2.892 50 40 EFGB Cc1ccc(C(=O)N/N=C\c2cc(Br)ccc2O)cn1 18105654 BXRMBOLPJUXGLR-IUXPMGMMSA-N 334.173 2.622 50 40 EFGB C/C(N)=C(\C#N)C(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2 104740904 OYMGJFNAUMEZOP-QINSGFPZSA-N 349.390 2.596 50 40 EFGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)o1 408799595 HDEQJWJHZLUTPZ-QUKCGBTMSA-N 343.427 2.718 50 40 EFGB O=C(O)c1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 408784757 URXJPBTZNORRSE-CAOOACKPSA-N 347.714 2.710 50 40 EFGB COc1cccc(/C=N\NC(=O)COc2cccc(C)c2C)c1OC 30843251 MEBKMENVAVKIMI-JAIQZWGSSA-N 342.395 2.850 50 40 EFGB N[C@H](Cc1ccc(N(CCCl)Cc2ccccc2)cc1)C(=O)O 2030649 HODHQMGRKKMWQW-QGZVFWFLSA-N 332.831 2.886 50 40 EFGB CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccs3)CC2=O)cc1 409169056 PIXUPATVRFGVRR-KVMVOAJRSA-N 341.436 2.814 50 40 EFGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(N(C)C)cc1 8103344 RVLHOAKWXAZJMC-XDHOZWIPSA-N 325.368 2.635 50 40 EFGB Cc1cc(C(=O)NNC(=O)c2cccc(Br)c2)c(C)o1 3621539 ZCOUBUXQTSRXLP-UHFFFAOYSA-N 337.173 2.734 50 40 EFGB Cc1cccc(C(=O)N/N=C2/SCC(=O)N2Cc2ccccc2)c1 33936782 NTSTXRJOOCNGRQ-CZIZESTLSA-N 339.420 2.771 50 40 EFGB CCS(=O)(=O)[C@H](Br)C(=O)c1ccc(Cl)cc1 96517875 NDYKZUIDNRGLIK-JTQLQIEISA-N 325.611 2.678 50 40 EFGB CCc1ccc(C(=O)N/N=C/c2ccn(CC(F)(F)F)n2)s1 252510500 ZMDICWRUNMJKLO-REZTVBANSA-N 330.335 2.833 50 40 EFGB Cn1cc(Br)c(C(=O)N/N=C/c2ccc(Cl)cc2)n1 132177 XGUMEKAGNQKQRU-GIDUJCDVSA-N 341.596 2.600 50 40 EFGB Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc3c(c2)OCO3)c1 345480 KJUSSPHRRFVDAW-DJKKODMXSA-N 326.352 2.561 50 40 EFGB biogenic,in-vitro COc1ccc(/C(C)=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1OC 5621205 IJUGAFMJALSQLS-WOJGMQOQSA-N 343.339 2.766 50 40 EFGB N#CC1=C(N)N(c2ccccc2)[C@H]([C@@H]2C[C@H]3C=C[C@H]2C3)C1(C#N)C#N 100161845 LAAMVVDACMVNFP-KJGCVMFHSA-N 327.391 2.815 50 40 EFGB O=C(NNC(=O)c1ccc(Br)s1)c1cccs1 147061 XVPVQUGDFAWLKO-UHFFFAOYSA-N 331.216 2.647 50 40 EFGB COc1ccc(/C=N/NC(=O)[C@@H](C)Nc2ccccc2C)cc1OC 235007 PSUFYAANCVNREB-MQMKENTISA-N 341.411 2.963 50 40 EFGB COC(=O)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104127217 AJMCKVKEDDVIHK-UHFFFAOYSA-N 336.371 2.886 50 40 EFGB C/C(=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1)c1ccncc1 5215443 XTLZLSQUNGZDGM-RGVLZGJSSA-N 330.775 2.522 50 40 EFGB C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OC 4541094 NMIUSKGOMAPJSG-MRXNPFEDSA-N 338.367 2.510 50 40 EFGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccco1 409067758 ZJFCKGUDEVYVMP-LDADJPATSA-N 342.355 2.942 50 40 EFGB N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(C(=O)O)cc1 13338266 SRCOTMZWRYBNNF-UKTHLTGXSA-N 337.291 2.839 50 40 EFGB Cc1cc(Cl)ccc1OCC(=O)NNC1=CC(=O)CC(C)(C)C1 17953117 VOYGDTWEMDCMLH-UHFFFAOYSA-N 336.819 2.921 50 40 EFGB C[N+]1(C)CC(Br)=C(Br)[C@H](Br)C1 1752759 GKODXLSIKDJYHT-RXMQYKEDSA-N 348.884 2.841 50 40 EFGB CCC[C@H](C(=O)OCC)/C(C)=N\NC(=O)COc1ccccc1C 408947607 BDCHCDAJSZXKSS-NOMGLIDZSA-N 334.416 2.845 50 40 EFGB O=C(NNC(=O)c1nccc2ccccc12)c1cc2c(s1)CCC2 65476414 HDIRCODAXBIHFN-UHFFFAOYSA-N 337.404 2.860 50 40 EFGB N#C/C(=C\c1cc(Br)ccc1O)C(=O)NCc1ccco1 408735065 NNACGUPKRVQVLT-IZZDOVSWSA-N 347.168 2.971 50 40 EFGB N#C/C(=C/c1ccc([N+](=O)[O-])o1)C(=O)NCCCc1ccccc1 409240450 KTNVRBHUGDHCDX-KAMYIIQDSA-N 325.324 2.844 50 40 EFGB C#CCn1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c2ccccc21 487158 RYRBPBMIKSPHFU-FSJBWODESA-N 348.381 2.976 50 40 EFGB Cc1ccccc1-n1ncc(C(=O)NNC(=O)CC(C)C)c1C1CC1 29763393 FHLQYZUOROGBBU-UHFFFAOYSA-N 340.427 2.865 50 40 EFGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)c1 59515510 CSOSRJHZPBEUQJ-UDWIEESQSA-N 339.395 2.907 50 40 EFGB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NN 118924285 VVTXMFGLOIFEKN-WQBJWTDHSA-N 332.488 2.916 50 40 EFGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(O)c1 408590479 PBLTYLWWIVWJBU-VCHYOVAHSA-N 343.339 2.852 50 40 EFGB CN(C)c1cccc(C(=O)N/N=C/c2cn(CC#N)c3ccccc23)c1 6226693 IQAZQWKPJSJBKL-LPYMAVHISA-N 345.406 2.995 50 40 EFGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCC2)cc1 7383892 CFADLLAFAGPEJU-CPNJWEJPSA-N 338.367 2.959 50 40 EFGB COc1ccc(C[C@@](C)(C#N)NNC(=O)OC(C)(C)C)cc1OC 606422210 BTRLCEBRYUNRRX-KRWDZBQOSA-N 335.404 2.558 50 40 EFGB CC(C)(CC(=O)ON1C(=O)CCC1=O)SSc1ccccn1 575629158 KUSWWWVFHGSSGW-UHFFFAOYSA-N 340.426 2.598 50 40 EFGB O=C(N/N=C/c1ccc(O)cc1O)c1ccc(Br)cc1 257095 CMTNDERIIQVCSV-LZYBPNLTSA-N 335.157 2.624 50 40 EFGB O=C(NNC(=O)c1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1 567346 RKJJEGJBDYOMIC-UHFFFAOYSA-N 335.319 2.823 50 40 EFGB COc1ccc(NC(=S)NNC(=O)c2cccc(Cl)c2)cc1 59449434 UHBZBKJCDFTIJH-UHFFFAOYSA-N 335.816 2.980 50 40 EFGB COc1ccc(/C=N/NC(=O)CSc2ccccc2)c(OC)c1 16215436 FGQZDXRTGTXJIG-WOJGMQOQSA-N 330.409 2.946 50 40 EFGB O=C(N/N=C1/C[C@@H]2C=CC[C@@H]12)C(O)(c1ccccc1)c1ccccc1 5681874 FXGAQUMEOREADN-UDMZBVJGSA-N 332.403 2.991 50 40 EFGB Cc1cc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)c(C)n1C(C)C 8734723 QUWBLXWEAXUAAH-RIYZIHGNSA-N 325.420 2.583 50 40 EFGB O=C(CN1CCCc2ccccc21)N/N=C1\CCc2c(O)cccc21 96291374 ANNVSGUEIPQYGW-HEHNFIMWSA-N 335.407 2.612 50 40 EFGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)cc1 193793949 WGISFGSDWXVSTB-ATVHPVEESA-N 335.407 2.985 50 40 EFGB O=C(COc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(O)cc1 8429265 JXIKRNVCITZIPJ-AWQFTUOYSA-N 338.285 2.940 50 40 EFGB COc1ccccc1/C=N\NC(=O)CC(=O)Nc1cccc(Cl)c1 5275087 YYHZQRRMZRNBCV-ODLFYWEKSA-N 345.786 2.828 50 40 EFGB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccn1)C(C#N)=C(N)O2 43688 UTNLZACHEUVEQA-QGZVFWFLSA-N 329.363 2.794 50 40 EFGB O=S(=O)(N[C@H]1C2CCC(CC2)[C@H]1Br)c1ccccc1 1643919 QGDAYPKMQFICSL-QUINOFQRSA-N 344.274 2.917 50 40 EFGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 100201174 JCXZIGBYUDNAKT-OAHLLOKOSA-N 346.317 2.967 50 40 EFGB COc1ccc([C@@H]2C(C#N)=C(N)Nc3nc4ccccc4n32)cc1OC 55175190 DVGJGJFQUWOOAS-QGZVFWFLSA-N 347.378 2.762 50 40 EFGB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)N2CCSSCC2)C1 89662445 YSNWZQJCPHPUPD-VXGBXAGGSA-N 346.518 2.903 50 40 EFGB O=C(Cc1ccccc1F)NNC(=O)Cc1cccc2ccccc12 14093559 GBHIDCOXJLVNML-UHFFFAOYSA-N 336.366 2.912 50 40 EFGB COc1ccc(/C=N/NC(=O)Nc2ccccc2)c(OC)c1OC 4510801 CIOAJIXBTJVAKO-WOJGMQOQSA-N 329.356 2.868 50 40 EFGB NNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1Cl 4507415 BZOMUXOMWMPDQV-LVEAOLTQSA-N 341.798 2.657 50 40 EFGB Cc1ccc(C(=O)NNC(=O)c2c[nH]nc2-c2ccc(F)cc2)cc1 8750099 NYBCGLCIHGZWEX-UHFFFAOYSA-N 338.342 2.599 50 40 EFGB CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2nc(C)no2)c1C 96402097 NFKQWXGGUHSPGS-GFQQVXNGSA-N 341.415 2.991 50 40 EFGB Cc1[nH]nc(O)c1CCC(=O)N/N=C/c1ccc(Cl)cc1Cl 95483785 WSZZDHOFGILEIC-REZTVBANSA-N 341.198 2.813 50 40 EFGB Cc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(Cl)cc2C)o1 6503961 OVMPBYZHFQMXHU-SOFGYWHQSA-N 348.786 2.789 50 40 EFGB O=C(N/N=C1/Nc2ccccc2C1=O)c1ccc(Br)cc1 6885917 DCBSWYVSDROCBA-UHFFFAOYSA-N 344.168 2.801 50 40 EFGB C=CCSC1=C(C#N)[C@H](c2ccc(OC)c(OC)c2)CC(=O)N1 2158267 GEKFIVMSKGSYCL-LBPRGKRZSA-N 330.409 2.962 50 40 EFGB CCn1c(C)nc2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])o3)ccc21 3210810 VONVQLMKWQNMCU-RQZCQDPDSA-N 341.327 2.630 50 40 EFGB COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)NCc2ccco2)cc1 17072356 ZKMHLCAITQOMHW-ZROIWOOFSA-N 348.362 2.902 50 40 EFGB CCOc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c1OCC 5817683 RBJXOLHWHGCGFC-HNNXBMFYSA-N 340.383 2.734 50 40 EFGB O=C(CNC1CCCCC1)N/N=C/c1ccc(Br)cc1 409378083 NEYXWJYNNGZLMW-VCHYOVAHSA-N 338.249 2.822 50 40 EFGB Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1ccco1 9883724 ATPNGJCWXHMKJN-LLVKDONJSA-N 336.775 2.778 50 40 EFGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC(C)C)cc1 5791489 QRNNXNVDBHSKNP-MRXNPFEDSA-N 328.368 2.728 50 40 EFGB COc1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c(OC)c1 6181667 LKECUFVENVSPLJ-KEBDBYFISA-N 347.802 2.919 50 40 EFGB N#C/C(=C\c1cccc(Br)c1)C(=O)NC[C@H]1CCCO1 6209732 LHPJRYXSYHCENK-WEKMIXOTSA-N 335.201 2.651 50 40 EFGB CCOc1cc(/C=C/C(=O)NN)ccc1OCc1ccc(F)cc1 226365263 OHIOLVHMJIRWNE-UXBLZVDNSA-N 330.359 2.807 50 40 EFGB CCN(CC)C(=O)C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 58914480 FOZDXNSYIDNBMX-ODLFYWEKSA-N 347.802 2.919 50 40 EFGB O=S(=O)(C[C@@H](Br)CBr)c1ccccc1 100647922 AFYOBWMWRDARIA-QMMMGPOBSA-N 342.052 2.619 50 40 EFGB NNC(=O)c1cc(-c2cccs2)nc2nc(N3CCCC3)sc12 5955567 PKQMCHYBUUNQMZ-UHFFFAOYSA-N 345.453 2.624 50 40 EFGB CC(=O)O/C(C=C(C#N)C#N)=C/C=C/N1CCN(c2ccccc2)CC1 19801887 VDYZNFNITJWPSU-XXQNINLBSA-N 348.406 2.743 50 40 EFGB Cc1occc1C(=O)NNC(=O)N1CCC(Cc2ccccc2)CC1 40068961 OIJBRSARFMDLLE-UHFFFAOYSA-N 341.411 2.897 50 40 EFGB CC(C)/N=C1/S[C@@H]2CS(=O)(=O)[C@H](Br)[C@]2(C)S1 3043033 LGLVMTROHNJGDS-GHKCEXNFSA-N 344.321 2.508 50 40 EFGB CC(C)[C@H](NC(=O)Cc1cccs1)C(=O)N/N=C\c1ccccc1 101532039 BOCODLODJVBYOK-LSPINASFSA-N 343.452 2.582 50 40 EFGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc2[nH]ncc12 42016829 OLMKNMZEHFCNDJ-UHFFFAOYSA-N 338.411 2.540 50 40 EFGB CN(C)C(=O)/C(C#N)=C/c1cc(Br)cc(Cl)c1O 59333623 GMZXJPYHJBINGR-FPYGCLRLSA-N 329.581 2.803 50 40 EFGB Cc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)c2c(C)noc2n1 54394105 MXTUTFFQHVOSHH-UHFFFAOYSA-N 344.758 2.568 50 40 EFGB CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccc(SC)cc1 57509080 MBZBBGYJTPCJIK-ZDUSSCGKSA-N 340.832 2.818 50 40 EFGB CCOc1ccc(OCC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c1 6196204 AQSLSTWFPOBMJN-INIZCTEOSA-N 340.383 2.734 50 40 EFGB O=C(N/N=C1/C[C@@H]2C=CC[C@H]12)C(O)(c1ccccc1)c1ccccc1 5681872 FXGAQUMEOREADN-SIEOAVIVSA-N 332.403 2.991 50 40 EFGB C[C@]1(CBr)CSc2n(C[C@H]3CO3)c3ccccc3[n+]21 4868282 PISGPIGFHCSKJY-HZMBPMFUSA-N 340.266 2.543 50 40 EFGB COc1ccc(OC(F)(F)F)cc1/C=N/NC(=O)c1ccncc1 95611637 ZLVLSWKGWBSVQV-AWQFTUOYSA-N 339.273 2.753 50 40 EFGB O=C(N/N=C/c1cccc(OC2CSC2)c1)c1ccccc1O 233727 OXPAKBWBDCQFBK-GIJQJNRQSA-N 328.393 2.650 50 40 EFGB CC(C)(O)C(=O)N/N=C/c1ccccc1OCc1cccc(F)c1 32578389 YVEQQPDEOBEKLH-RGVLZGJSSA-N 330.359 2.626 50 40 EFGB CC(C)[C@H](C(=O)NNc1cccc(Cl)c1)N1C[C@H](C)O[C@H](C)C1 107344740 JJHFUADDODGSJT-DVOMOZLQSA-N 339.867 2.917 50 40 EFGB Cc1oc(-c2cccs2)nc1CC(=O)NNC(=O)c1ccccc1 12941066 HBUMTCSUAPFXJL-UHFFFAOYSA-N 341.392 2.715 50 40 EFGB CCC(=O)NNc1ncnc2c1cnn2-c1ccc(C)c(Cl)c1 8673921 JCIUDTVZHQEJQZ-UHFFFAOYSA-N 330.779 2.630 50 40 EFGB CCN(CC)C(=O)/C(C#N)=C\c1ccc(I)o1 408752765 GTISPXWILDCNFD-CLFYSBASSA-N 344.152 2.660 50 40 EFGB Cc1n[nH]c2c1[C@H](c1cc(Cl)c(O)c(Cl)c1)C(C#N)=C(N)O2 16265986 WNAWEAUCOBBOMW-LLVKDONJSA-N 337.166 2.949 50 40 EFGB CN(C)c1ccc(/C=N\NC(=O)COc2cccc(Cl)c2)cc1 30802338 RBUDTIRXSDOEBA-ODLFYWEKSA-N 331.803 2.935 50 40 EFGB Cc1ccsc1/C=N/NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 525613 PMSCNGSHRCBEDF-HVOBPNNYSA-N 327.409 2.560 50 40 EFGB Cn1nc(C2CC2)cc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253399224 IORCKRIWJFOISR-MRXNPFEDSA-N 338.411 2.748 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2cc(C)cc(C)c2)c(OC)c1 345450 PRYBOUAXLAZNDE-RGVLZGJSSA-N 342.395 2.850 50 40 EFGB COC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1Br 7063252 JJBCUWWVNNRGJH-RUDMXATFSA-N 326.146 2.546 50 40 EFGB Cc1ccc(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 7765166 NSMBNDGVRLUZEH-HNNXBMFYSA-N 326.396 2.840 50 40 EFGB Cc1cc(C)nc(NNC(=O)c2cc(Cl)c3c(c2)OCCCO3)n1 29066238 CPMRPRYPTXIIAW-UHFFFAOYSA-N 348.790 2.665 50 40 EFGB C/C(N)=C(/C#N)C(=O)COC(=O)CSc1ccc2ccccc2c1 4825692 OPRQUXIMMCOZFP-FOWTUZBSSA-N 340.404 2.800 50 40 EFGB CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)COc1cccnc1[N+](=O)[O-])C2 102446691 RCBWPHRYMGLQAL-UCORRZAPSA-N 346.387 2.687 50 40 EFGB CCC(CC)=NNC(=O)C(=O)Nc1ccccc1Br 59435836 NUGKIYLIZALDAF-UHFFFAOYSA-N 326.194 2.680 50 40 EFGB O=C(NNC(=O)c1c2c(nc3ccccc13)CCCC2)c1ccccn1 16969147 UJQZQDRKBDGCKK-UHFFFAOYSA-N 346.390 2.583 50 40 EFGB Cc1ccc(C(=O)CCC(=O)NNC(=O)c2ccc(F)cc2)s1 14113198 LVVHARTZKNVBKW-UHFFFAOYSA-N 334.372 2.620 50 40 EFGB CCCOc1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)ccc1OC 6935081 CFDUROAVXWFRGA-IZNAZMGOSA-N 344.411 2.686 50 40 EFGB C#CCn1cc(/C=N/NC(=O)COc2ccccc2)c2ccccc21 408534954 WYSKGAOBCOPFOV-FYJGNVAPSA-N 331.375 2.804 50 40 EFGB CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\Nc1ccc(O)cc1C 9419818 HQOFTKJBCHZATD-SXGWCWSVSA-N 339.395 2.861 50 40 EFGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1c[nH]c2ccccc12 408565823 AVKVZAFOMIMNMG-VXLYETTFSA-N 338.323 2.849 50 40 EFGB O=C(O)COc1ccc(/C=N\NC(=O)c2cccs2)cc1Cl 408854268 BFMKKYMCJBNBBU-APSNUPSMSA-N 338.772 2.629 50 40 EFGB Cc1nn(CC(C)C)c(C)c1CCC(=O)NNC(=O)c1ccccc1 7239667 MHWHRZZAAZACES-UHFFFAOYSA-N 342.443 2.550 50 40 EFGB Cc1ccc(OCC(=O)N/N=C/c2ccccc2C)c([N+](=O)[O-])c1 3023050 WQVLWNRAGPRLTH-VCHYOVAHSA-N 327.340 2.741 50 40 EFGB C[C@@]1(C(=O)OC[C@@H]2CCCN3CCCC[C@H]23)C[C@H]1Br 4061183 BXPSMNAXFOSEKJ-KYEXWDHISA-N 330.266 2.968 50 40 EFGB biogenic O=C(Cc1cc(O)n[nH]1)N/N=C/c1cccc(Oc2ccccc2)c1 5350039 ZQTLMEBNSOPJGU-XDHOZWIPSA-N 336.351 2.600 50 40 EFGB CCCCC(=O)N/N=C\c1ccc(I)cc1 31671988 XGECHZBRBLZNPZ-ZROIWOOFSA-N 330.169 2.932 50 40 EFGB COc1ccc(/C=N/NC(=O)Nc2cccc3nsnc23)cc1 338442 PZZXITJHHKGGAV-CXUHLZMHSA-N 327.369 2.856 50 40 EFGB C=CCOc1ccc(/C=N/NC(=O)c2ccccc2O)cc1OC 3575173 VLQGZPBXSZZHRJ-XDHOZWIPSA-N 326.352 2.730 50 40 EFGB CN(C)c1ccc(/C=N/NC(=O)COc2cccc3cccnc23)cc1 59503455 BTKJOPWONOBWSW-LPYMAVHISA-N 348.406 2.830 50 40 EFGB N#CC(C(=O)COC(=O)c1cccs1)=C1Nc2ccccc2N1 6785861 JBHOOSWPSDFXDS-UHFFFAOYSA-N 325.349 2.747 50 40 EFGB COc1cc(/C=N\NC(=O)c2ccc(F)cc2)cc(OC)c1OC 33297435 QUGCFRTWLWBARF-GRSHGNNSSA-N 332.331 2.615 50 40 EFGB C[C@@H](O)c1cn(C2CN(CCCO[Si](C)(C)C(C)(C)C)C2)nn1 1615613132 FSMLQIBSTAZZCJ-CYBMUJFWSA-N 340.544 2.600 50 40 EFGB C=CCc1cccc(/C=N/NC(=O)CNc2ccc(OC)cc2)c1O 218821 UKRJEQUQDZSWIQ-CIAFOILYSA-N 339.395 2.692 50 40 EFGB CCOc1ccc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc1 5465223 NGBFWPADYMPVRM-MOSHPQCFSA-N 342.395 2.795 50 40 EFGB CCCCCCCCn1c(=O)c(C(=O)NN)c(O)c2ccccc21 100711659 VKWQDDZZZNGMQO-UHFFFAOYSA-N 331.416 2.671 50 40 EFGB COC(=O)N1[C@@]2(C)C[C@@H](Br)[C@H](Br)C[C@@]12C 104277549 YTEVIEXXRRVNPO-XVIHVDPOSA-N 341.043 2.907 50 40 EFGB CC1=CC(=O)[C@@H](Cl)[C@@H](Cl)/C1=N\S(=O)(=O)c1ccccc1 101028285 GIZIGXWXHHNROK-VFXRXHLTSA-N 332.208 2.560 50 40 EFGB C/C(=N/NC(=O)COc1ccccc1C)c1ccc([N+](=O)[O-])cc1 12575856 POVWVUNFECDWJO-AQTBWJFISA-N 327.340 2.822 50 40 EFGB O=C(CSc1ncccn1)N/N=C/c1ccc2c3c(cccc13)CC2 408838695 ZNTWARLTLZNXGD-SSDVNMTOSA-N 348.431 2.971 50 40 EFGB CC(=O)NN(/C=C1\C(=O)N(c2ccccc2)N=C1C)Cc1ccccc1 408723557 ZYGKJCYNRHAKJP-RGEXLXHISA-N 348.406 2.846 50 40 EFGB COc1ccc(OC)c(/C=N/NC(=O)[C@H](C)Sc2ccccn2)c1 188496 MXJZETJBTKOPLI-MKFNJMOCSA-N 345.424 2.730 50 40 EFGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)ccc2O)c1 582524 GHUUZVLTTVMWPY-GIJQJNRQSA-N 334.759 2.827 50 40 EFGB Cc1ccc(OCC(=O)N/N=C/c2c(C)cc(O)cc2O)cc1C 224466 MHBXKYKKQAFHNU-DJKKODMXSA-N 328.368 2.552 50 40 EFGB C[C@H]1CCc2sc(C(=O)NNC(=O)c3ccccc3O)cc2C1 7779622 FGEXTQOVBZYDGX-JTQLQIEISA-N 330.409 2.653 50 40 EFGB O=C(N/N=C/c1ccccc1OC(F)F)[C@H]1COc2ccccc2O1 3275129 CTHZSADMNRUIDJ-UPWAIKHBSA-N 348.305 2.578 50 40 EFGB Cc1c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)oc2ccccc12 3411250 RTEZXDMKVAQVLD-UHFFFAOYSA-N 338.319 2.545 50 40 EFGB Cc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)[nH]n1 18240580 GIDDYQACCZTWOV-UDWIEESQSA-N 348.362 2.701 50 40 EFGB CCC/C(=N\NC(=O)CNC(=O)/C=C/c1ccco1)c1ccccc1 5005635 NBYCAPKHEIIRPD-BUNAONMUSA-N 339.395 2.730 50 40 EFGB Nc1nc(CBr)c(CCCCc2ccccc2)c(=O)[nH]1 18157658 KIHWYABBIHLHMK-UHFFFAOYSA-N 336.233 2.812 50 40 EFGB Cc1cccc(C(=O)N[C@@H](C(=O)N/N=C\c2cccs2)C(C)C)c1 4544268 AOWDGGDPOBYETC-VXIUPONVSA-N 343.452 2.961 50 40 EFGB O=C(Oc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 7928943 OMJLGKGZABOKSZ-LLVKDONJSA-N 344.298 2.692 50 40 EFGB O=C(N/N=C/c1ccc(S(O)(O)O)o1)c1cccc([N+](=O)[O-])c1 100568687 GEIARNYYOOKBSO-NTUHNPAUSA-N 341.301 2.534 50 40 EFGB CCc1ccc(NC(=S)NNC(=O)COc2ccccc2)cc1 6519028 RSWHKFCRVHOYEB-UHFFFAOYSA-N 329.425 2.646 50 40 EFGB Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)n1-c1ccc(C(=O)O)cc1 111902881 NNBBWIAQZYSIEA-MHWRWJLKSA-N 349.390 2.978 50 40 EFGB CO[C@@H](C(=O)N/N=C/c1ccc(Br)o1)c1ccccc1 409002707 WJMPHWCZFKRBOS-BPKVKKHESA-N 337.173 2.880 50 40 EFGB Nc1ccccc1C(=O)N/N=C\c1ccc(O)c(Br)c1 32116976 WMKFDXZWZMBZMS-IUXPMGMMSA-N 334.173 2.501 50 40 EFGB Cc1ccc(OCC(=O)n2cc(C(=O)NN)c3ccccc32)c(C)c1 216727971 RFXFRIZNFLFJOE-UHFFFAOYSA-N 337.379 2.581 50 40 EFGB CC(C)(C)OC(=O)N1CCC(CC(=O)OCBr)CC1 89212884 ISMRKOCQPBNJQC-UHFFFAOYSA-N 336.226 2.919 50 40 EFGB COc1ccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCSC[C@@H]32)cc1 377690 BHDAXIWUFDUKEG-RDJZCZTQSA-N 348.431 2.852 50 40 EFGB O=C(Cc1csc(-c2ccccc2)n1)NNC(=O)c1ccccc1 6790528 QRLXJPUASKONLU-UHFFFAOYSA-N 337.404 2.814 50 40 EFGB N#CCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 8085790 WLRBROCKMGXYGI-RGVLZGJSSA-N 343.770 2.771 50 40 EFGB COc1cc(/C=N/NC(=O)c2cccc(F)c2)ccc1OCC#N 409376041 SPCWFJVIESOXKM-RGVLZGJSSA-N 327.315 2.501 50 40 EFGB N#C/C(C(=O)CSc1nnc(N)s1)=C1\Nc2ccccc2S1 102156505 FVQTYRHPUQIKDP-XFFZJAGNSA-N 347.450 2.734 50 40 EFGB COc1cccc(NCC(=O)N/N=C/C2=Cc3ccccc3OC2)c1 54281346 YAPOBBJACPBVAG-SRZZPIQSSA-N 337.379 2.685 50 40 EFGB CCCC(=O)Nc1ccc(O)c(/C(C)=N/NC(=O)c2cccn2C)c1 100670433 KICBBLRKOYTBSM-UDWIEESQSA-N 342.399 2.623 50 40 EFGB CN1CCC(N(C)C(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2)CC1 6343693 FHFVYDORPQGKJV-KAMYIIQDSA-N 349.381 2.748 50 40 EFGB N#C/C(=C/c1cc(O)ccc1[N+](=O)[O-])C(=O)Nc1ccc(O)cc1 409375233 HNYOGIFJFVLWNL-XFFZJAGNSA-N 325.280 2.552 50 40 EFGB Cc1ccc(NCC(=O)N/N=C/c2nc(C)n3ccccc23)c(C)c1 45870544 LYSKGYSSSZLZFK-SRZZPIQSSA-N 335.411 2.822 50 40 EFGB COc1ccccc1CSC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1 32824245 WWNSSHOORSONLR-GFCCVEGCSA-N 327.409 2.959 50 40 EFGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)cc2)cc1 58884624 ABMBXPUOUGKFRD-YBFXNURJSA-N 325.368 2.604 50 40 EFGB O=C(NNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1 1392850 IIAKXXGFAUILEF-UHFFFAOYSA-N 341.348 2.884 50 40 EFGB CSCC(=O)NNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 89995353 NYFNVOKYSNHRJZ-GHMZBOCLSA-N 333.240 2.607 50 40 EFGB COC(=O)c1nc(-c2ccccc2)oc1NNC(=O)c1ccccc1 72238684 OMKHAJQZKZREOQ-UHFFFAOYSA-N 337.335 2.885 50 40 EFGB Cc1ccc(NCC(=O)N/N=C/c2c[nH]nc2-c2ccccc2)cc1 346834 JURKRVWJDFRMCR-SRZZPIQSSA-N 333.395 2.947 50 40 EFGB O=C(CCCc1ccc(O)cc1)N/N=C/c1cccc([N+](=O)[O-])c1 6241266 OPTDKAFLVIGVMQ-LDADJPATSA-N 327.340 2.773 50 40 EFGB CCOc1ccc(/C(C)=N/NC(=O)c2ccc3c(c2)OCO3)cc1 5475359 USDSRGZSMICGHS-XDHOZWIPSA-N 326.352 2.968 50 40 EFGB COc1ccc(CC(=O)N/N=C(\C)c2ccc(OC)cc2OC)cc1 5620907 MHWSPUODLJWDDR-DEDYPNTBSA-N 342.395 2.795 50 40 EFGB COc1cc(OC)cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1 183801 JKCGVIAQFZPTDB-INIZCTEOSA-N 326.352 2.519 50 40 EFGB biogenic,in-vitro CN(NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1ccccc1 32759126 KUFMOZLXZCODSI-CQSZACIVSA-N 343.452 2.768 50 40 EFGB C#CCOc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1 408913571 MYXIWUDDOLKLDD-UDWIEESQSA-N 342.782 2.881 50 40 EFGB O=C(CC1CCCC1)NNC(=O)c1ccc(Br)s1 8421295 BPWYXDZSBFNIPD-UHFFFAOYSA-N 331.235 2.852 50 40 EFGB O=[P@@]1(N(CCCl)CCCl)OCCCN1Br 5134110 AQFUPVUTQOBSTG-HNNXBMFYSA-N 339.985 2.906 50 40 EFGB Cc1cccc(OCC(=O)N/N=C/c2cc3c(cc2Cl)OCO3)c1 27818 WHKANAJKNPPFTP-UFWORHAWSA-N 346.770 2.906 50 40 EFGB COc1ccc(/C=N/NC(=O)c2cccnc2)cc1OCC(C)C 3335348 LOZLKCQMXKPLAO-KEBDBYFISA-N 327.384 2.889 50 40 EFGB C[C@H](Sc1ccccc1)C(=O)N/N=C1\C(=O)Nc2ccccc21 20248507 NQBTXJHTORQPOI-NSHDSACASA-N 325.393 2.640 50 40 EFGB O=C(CNc1ccc2ccccc2c1)N/N=C1\C(=O)Nc2ccccc21 5687953 GZZHESUGKFIYJY-UHFFFAOYSA-N 344.374 2.724 50 40 EFGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)C)c32)cc1 5633487 MMYJDXIBCTZVLX-ZDUSSCGKSA-N 338.367 2.538 50 40 EFGB Cn1c(=O)n(C)c2cc(/C=C(/C#N)c3nc4ccccc4[nH]3)ccc21 12428041 DVJHUHZONQKOHO-LCYFTJDESA-N 329.363 2.817 50 40 EFGB Cc1ccc(NCC(=O)N/N=C/c2cc3c(cc2Cl)OCO3)cc1 223568 OSSANAMIEZHJCH-DNTJNYDQSA-N 345.786 2.939 50 40 EFGB O=C1C[C@@]2(C[C@H](Cl)N=N2)C(=O)N1c1cccc(Br)c1 4698142 IEXNVYZQRHBDQT-SKDRFNHKSA-N 342.580 2.872 50 40 EFGB CCN(CC)c1ccc(C(=O)NNC(=O)c2cccc(OC)c2)cc1 3294099 DOOLGZKEUPRAGZ-UHFFFAOYSA-N 341.411 2.616 50 40 EFGB CC[C@@H](Br)C(=O)NCCC(=O)Nc1ccccc1C 8733128 NHPHMZVIGGTJIZ-LLVKDONJSA-N 327.222 2.613 50 40 EFGB C/C(CC(=O)Nc1cc(C)ccn1)=N\NC(=O)c1cccc(C)c1O 4124067 XZJODWXCOASJHP-FYJGNVAPSA-N 340.383 2.539 50 40 EFGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccccc1O 4735231 XUJYHKSEORWESF-LICLKQGHSA-N 333.185 2.848 50 40 EFGB C#CCOc1ccc(OC)cc1/C=C(\C#N)C(=O)n1nc(C)cc1C 409381656 VGAPWSYVHUJHGR-MHWRWJLKSA-N 335.363 2.768 50 40 EFGB NNC(=O)c1cc2c(N3CCCC3)nc(-c3ccccc3)nc2s1 223464580 ZAXUFFUJLSGLRI-UHFFFAOYSA-N 339.424 2.562 50 40 EFGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc2c1OCO2 6170071 JPXGKLVFLZNHHI-SDQBBNPISA-N 338.319 2.675 50 40 EFGB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1cccn1C 21272124 LZCHGGUXPOTVQA-UKTHLTGXSA-N 325.368 2.937 50 40 EFGB CCCCC(=O)N/N=C/c1cccc(I)c1 1704799 CCESZXCOXKRETH-NTEUORMPSA-N 330.169 2.932 50 40 EFGB COc1ccc([C@@H](Br)[C@@H](Br)C(=O)O)cc1 6484497 MWJORQFVICKTJV-RKDXNWHRSA-N 337.995 2.979 50 40 EFGB in-vitro CSc1ccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 358453 GZZQBRYEUKXFOA-LICLKQGHSA-N 345.380 2.846 50 40 EFGB O=C(Cc1cccc(C(F)(F)F)c1)NNC(=O)c1ccccc1F 2627696 JXZFUSKOESIDBY-UHFFFAOYSA-N 340.276 2.848 50 40 EFGB COc1ccc(/C=N/NC(=O)[C@H](OC)c2ccccc2)cc1OC 59502274 NXOQHEXTJMLVJC-MIQLPHMESA-N 328.368 2.542 50 40 EFGB O=C(N/N=C/c1ccc(F)cc1)c1ccc(NC(=O)C2CC2)cc1 4536735 JLFYGURSZXPOMR-RGVLZGJSSA-N 325.343 2.938 50 40 EFGB COC(=O)N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 96893668 UKOFMVZCBDWFJC-FNBOUAQFSA-N 341.411 2.792 50 40 EFGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@]23[C@H]4C=C[C@@H](C4)[C@]12N=NN3c1ccccc1 104292978 OMGGDHZFRGBBHT-KXYWYATQSA-N 347.374 2.523 50 40 EFGB Cc1ccccc1C(=O)N/N=C/c1ccc(N2CCOCC2)c(F)c1 9202643 YAEVYHTVTXOCJX-FYJGNVAPSA-N 341.386 2.735 50 40 EFGB COc1ccc(-n2nc(C(=O)NN)cc2-c2cc(C)ccc2C)cc1 59472484 WPAUDOILCUXADS-UHFFFAOYSA-N 336.395 2.768 50 40 EFGB Cc1c(C(=O)N/N=C/c2ccc(Cl)cc2)sc2ncnc(N)c12 408974216 XGUOBOMRYHIXGJ-CGOBSMCZSA-N 345.815 2.999 50 40 EFGB C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 5159914 LNYCBBFNOHNZHH-KGENOOAVSA-N 341.386 2.816 50 40 EFGB COc1cc(Cl)cc(/C=N\NC(=O)Cc2ccc(F)cc2)c1O 409238427 ZWPUKLFOMCQPAE-OCKHKDLRSA-N 336.750 2.886 50 40 EFGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1cc(O)c(O)c(O)c1 374139 WIJDTKYTKMTDRI-UBKPWBPPSA-N 341.150 2.874 50 40 EFGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccccc2O)cc1 4699172 KXCRQPVEFBADHX-YNGKYYQNSA-N 342.395 2.755 50 40 EFGB COc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1ccccc1C#N 408724741 BILAHSSLGKAJSZ-LZYBPNLTSA-N 333.347 2.538 50 40 EFGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)ccc1O 60512743 LUDWRGRHECTFHT-YBFXNURJSA-N 344.367 2.572 50 40 EFGB C[C@@]1(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CC1(Cl)Cl 5865409 IRQZHKJNNRBKBI-IEAYVXOBSA-N 345.270 2.934 50 40 EFGB CC(=O)Nc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1 2657733 BUNRQPXAMPAOAB-QGOAFFKASA-N 333.391 2.911 50 40 EFGB C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc2ncccc2c1 2335165 GRKKIITWAJZJIB-DQAKUKQTSA-N 342.399 2.598 50 40 EFGB COc1cc(SC)ccc1C(=O)NNC(=O)c1cc(C)oc1C 3559912 XPUWTFPSOXLEBO-UHFFFAOYSA-N 334.397 2.702 50 40 EFGB Cc1cccc(C(=O)N[C@@H](C(=O)N/N=C/c2cccs2)C(C)C)c1 6302293 AOWDGGDPOBYETC-YDDPGSGASA-N 343.452 2.961 50 40 EFGB N#CC1=C(N)n2ncnc2N[C@H]1c1cccc(Oc2ccccc2)c1 18199294 LDJBMLFWAIZORN-INIZCTEOSA-N 330.351 2.888 50 40 EFGB C[C@]12CC[C@@]3(O)[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C#N 70665290 UHCRRDZEBITSMZ-DWIKVQACSA-N 329.440 2.888 50 40 EFGB biogenic CCOc1ccc(/C=N/NC(=O)COc2c(C)cccc2C)c(O)c1 9614421 MGXMUYBJTSDWQM-RGVLZGJSSA-N 342.395 2.937 50 40 EFGB C#CCn1cc(/C=N/NC(=O)c2ccc(OC)cc2O)c2ccccc21 409392355 PENKPWWAIWVDPR-CIAFOILYSA-N 347.374 2.753 50 40 EFGB CCN(CC)c1ccc(/C=N/NC(=O)[C@H](OC)c2ccccc2)o1 408993778 FPLUHSDWQBTDJY-HNMKQIAWSA-N 329.400 2.964 50 40 EFGB O=C(N/N=C(\c1ccccc1)c1ccc(O)cc1O)c1ccncc1 16991525 YEAAAXNDTCXIBE-DYTRJAOYSA-N 333.347 2.675 50 40 EFGB Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1F 7961945 CAUUYUMXVGLQLW-CQSZACIVSA-N 344.386 2.979 50 40 EFGB COc1ccc(OC)c(/C=N/NC(=O)CNc2ccc(C)cc2)c1 435799 PTSWLQVBIWPGOF-RGVLZGJSSA-N 327.384 2.574 50 40 EFGB C=C1CC(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)C1 408733169 FOXVTKUXNTZJCI-OMCISZLKSA-N 337.173 2.594 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 4587766 LCGFIHWRJPKQFK-WOJGMQOQSA-N 343.339 2.766 50 40 EFGB O=C(COc1cccc(Cl)c1)N/N=C/c1ccc2c(c1)OCO2 94169 YCSBSCIARFOWEB-QGMBQPNBSA-N 332.743 2.598 50 40 EFGB O=C(O)c1ccccc1/C=N/NC(=O)c1ccccc1-n1cccc1 3468722 PEKDHCWGZXLRCF-DEDYPNTBSA-N 333.347 2.939 50 40 EFGB C/C(=N\NC(=O)COc1cccc(C)c1)c1ccc2c(c1)OCO2 5120016 ABKGBJRDLQFPAL-CPNJWEJPSA-N 326.352 2.643 50 40 EFGB COc1ccc(CNC(=O)/C(C#N)=C/c2cccs2)c(OC)c1 408866583 IDBOMMXZHWXBNM-MDWZMJQESA-N 328.393 2.989 50 40 EFGB COc1cc(CCC(=O)NN(C)c2ccccc2)cc(OC)c1OC 32732283 YZDCTROODNZDBT-UHFFFAOYSA-N 344.411 2.813 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)CNc2ccccc2)cc1OC 5260610 CXSNELBRTDBSPK-DEDYPNTBSA-N 327.384 2.656 50 40 EFGB COc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(F)cc2)cc1 3166565 OQRNRBUWIIHFPG-UDWIEESQSA-N 343.358 2.703 50 40 EFGB COC(=O)c1ccc(/C=N\NC(=O)COc2ccc(C)cc2C)cc1 30843505 GIGRXVSRMWXWHP-JAIQZWGSSA-N 340.379 2.619 50 40 EFGB CCOc1cc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)ccc1O 313667 NFRIFYSMBKHMKK-DAQNXSASSA-N 328.368 2.629 50 40 EFGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OC)c1O 408851227 WPDJOEWKRWEMHD-GRSHGNNSSA-N 340.335 2.920 50 40 EFGB CC(C)OCCCn1c(=O)c2ccccc2n2c(CCl)nnc12 408712739 MGWHFYXODNCNQD-UHFFFAOYSA-N 334.807 2.598 50 40 EFGB Cc1ccc2nc(Cl)c(/C=N/NC(=O)CC3(C)OCCO3)cc2c1 408728405 LLESQRKGDDGERE-VXLYETTFSA-N 347.802 2.800 50 40 EFGB CC(C)(C)c1ccc(O)c(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1 135225 QQQCEOYDKUOCPO-RONKMWSCSA-N 326.396 2.873 50 40 EFGB O=C(NNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cccs1 4014227 YENSQJHXCBGYGR-UHFFFAOYSA-N 347.377 2.946 50 40 EFGB CCOC(=O)/C(C#N)=C\N1CCN(c2cc(Cl)ccc2C)CC1 64429260 BIENBBGGXZBZMV-OWBHPGMISA-N 333.819 2.741 50 40 EFGB N#C/C(=C/c1cccc(OCC(=O)O)c1)C(=O)Nc1ccc(F)cc1 409067391 CTMJJTASVMFRHE-JYRVWZFOSA-N 340.310 2.835 50 40 EFGB CC(=O)NNC(=O)[C@H](C)Sc1nc(C)c(C)n1C1CCCCC1 95468558 GBFQRCOWKLWNFQ-LBPRGKRZSA-N 338.477 2.653 50 40 EFGB N=C(CSS(=O)(=O)O)NCCSc1ccc(Cl)cc1 31343331 FFDZEZLZHNZTBO-UHFFFAOYSA-N 340.879 2.535 50 40 EFGB CCc1ccc(OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 568885 AYLBFOWABLJWOQ-UHFFFAOYSA-N 332.787 2.742 50 40 EFGB Cc1c(C)c(C)c(S(=O)(=O)NNC(=O)C2CCCC2)c(C)c1C 29048812 KZCQRGOCDADAKY-UHFFFAOYSA-N 338.473 2.728 50 40 EFGB CN(C)c1ccc(/C=N/NC(=O)c2cncc(Br)c2)cc1 257428 LQCWBTMGJPNCRT-QGMBQPNBSA-N 347.216 2.674 50 40 EFGB O=C(NNc1ccccc1[N+](=O)[O-])c1cnn(Cc2ccccc2)c1 32747750 USTMVKUWQKVWEC-UHFFFAOYSA-N 337.339 2.597 50 40 EFGB O=C(NNC(=O)c1cccc2cccnc12)c1cc2c(s1)CCC2 19596461 QMQCBQKDLKDUFP-UHFFFAOYSA-N 337.404 2.860 50 40 EFGB N#CC(C#N)=Cc1sc(N2CCOCC2)nc1-c1ccc(O)cc1 16429361 SUOGQYZZMBEDJD-UHFFFAOYSA-N 338.392 2.783 50 40 EFGB CCN(CC)c1ccc(C(=O)N/N=C/c2cccc(O)c2O)cc1 3241918 VZYYWESOSMLTJF-XDHOZWIPSA-N 327.384 2.708 50 40 EFGB N#CCC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 567411 VAPJTFGFYPBOMJ-CAOOACKPSA-N 332.703 2.872 50 40 EFGB CCN(CC)S(=O)(=O)O[C@H]1C[C@H]2c3ccccc3[C@H]1[C@H]2Cl 103402728 NPXZNZLIYFGYSC-XQLPTFJDSA-N 329.849 2.850 50 40 EFGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccccc1O 3275208 SXIWLUGCQALSKL-ZVBGSRNCSA-N 337.301 2.973 50 40 EFGB CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C 408933619 BPFOWWMSMSRAQE-QGMBQPNBSA-N 333.775 2.916 50 40 EFGB C/C(=N\NC(=O)Cn1nnc2ccccc21)c1cc2ccccc2o1 4965559 FTQBFQVFKKASFF-XDHOZWIPSA-N 333.351 2.718 50 40 EFGB COc1cc2c(cc1/C=N\NC(=O)c1ccccc1Cl)OCO2 409101465 XUGWPXIHZXIIBC-LSCVHKIXSA-N 332.743 2.841 50 40 EFGB O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccs1 55000 UMPXBXLUYFPARH-UHFFFAOYSA-N 332.406 2.525 50 40 EFGB Cc1nc(C)c(-c2nnc(-c3cccc(Cl)c3)o2)cc1C(=O)NN 103983 CMTZPFBDGPDCFZ-UHFFFAOYSA-N 343.774 2.672 50 40 EFGB O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccncc3)o2)cc1 256248 MCTQWAFSBYZOPX-RGVLZGJSSA-N 335.319 2.804 50 40 EFGB N[C@H](CCCCP(=O)(c1ccccc1)c1ccccc1)C(=O)O 1805316 NNRUJCNQPCJHIO-QGZVFWFLSA-N 331.352 2.583 50 40 EFGB biogenic COc1ccc(C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(O)c1 409391414 JFEHXSGXTXHYSZ-CAOOACKPSA-N 349.730 2.726 50 40 EFGB COc1c(F)cc(NC(=O)NN(C)C(=O)OC(C)(C)C)cc1F 585136050 NSQIQRNCCVPBJC-UHFFFAOYSA-N 331.319 2.877 50 40 EFGB COC(=O)c1cc(-c2ccc(/C=C(\C#N)C(N)=O)o2)ccc1Cl 13614529 PVCYOFKHQWILHY-UXBLZVDNSA-N 330.727 2.779 50 40 EFGB CCCCN1C(=O)/C(=N/NC(=O)Cc2cccs2)c2ccccc21 15938527 NVKVHJJLGJQBGP-LVZFUZTISA-N 341.436 2.958 50 40 EFGB CC[C@@H](Nc1ccc(OC)cc1)C(=O)N/N=C/c1ccc(O)cc1 2747542 RJBBXNKPPYCPIT-MIQLPHMESA-N 327.384 2.742 50 40 EFGB CCc1cc(C(=O)NNC(=O)Nc2ccc(C(C)=O)cc2)cs1 17068052 CHWKEXNMZBOXRG-UHFFFAOYSA-N 331.397 2.980 50 40 EFGB COc1cccc(C(=O)N/N=C\c2c[nH]nc2-c2ccc(F)cc2)c1 37501397 JTGLDRPBXYYTMB-NHDPSOOVSA-N 338.342 2.988 50 40 EFGB CCOc1cccc(/C=N/NC(=O)COc2cccc(C)c2)c1O 3136610 VRJHHUSEZBABER-YBFXNURJSA-N 328.368 2.628 50 40 EFGB C/C(=N/NC(=O)CNC(=O)/C=C/c1ccco1)c1ccc(Cl)cc1 4587317 MDVRIICLPWHXOJ-DERKEVEESA-N 345.786 2.603 50 40 EFGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1cccc(F)c1 58555 KPJLAQDZLZVPRN-CYBMUJFWSA-N 336.750 2.689 50 40 EFGB CO[C@H](C(=O)N/N=c1/sc2ccccc2n1C)c1ccccc1 102157065 JUWWFOPAQCAEBM-UHHPSXQGSA-N 327.409 2.559 50 40 EFGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OCC)c1OCC#N 59334903 ANLWNXIGGVNOPC-WJDWOHSUSA-N 339.395 2.711 50 40 EFGB Cc1cc(NC(=O)/C(C#N)=C2\C(=O)N(C(C)C)c3ccccc32)no1 61717669 ZUIXWNUUEWOBGK-SSZFMOIBSA-N 336.351 2.654 50 40 EFGB Cc1ccc(CCC(=O)NNC(=O)Cc2ccc(F)cc2)c(C)c1 27245527 YWGHCLOPJJSXEY-UHFFFAOYSA-N 328.387 2.765 50 40 EFGB COc1cc(/C=C(\C#N)C(N)=O)ccc1OCCOc1ccccc1 4670480 FRANPNXPGXZNQY-RVDMUPIBSA-N 338.363 2.545 50 40 EFGB CC(C)/N=C1\S[C@@H]2CS(=O)(=O)[C@@H](Br)[C@@]2(C)S1 139231095 LGLVMTROHNJGDS-RSMFAQRLSA-N 344.321 2.508 50 40 EFGB Cc1cccc(OCC(=O)N/N=C/c2ccc3c(c2)OCO3)c1C 565479 OOIZQTXHFIXEKW-DJKKODMXSA-N 326.352 2.561 50 40 EFGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)cc1 6183162 FOJYVTLJZINMMO-WYRKQZDXSA-N 342.395 2.752 50 40 EFGB Cc1nn(CCCl)c(C)c1C(=O)NC[C@H]1COc2ccccc2C1 71905722 RRRVFBOAYGJLKY-AWEZNQCLSA-N 347.846 2.720 50 40 EFGB Cc1cc(C)n(C(=CC(=O)C(Cl)Cl)n2nc(C)cc2C)n1 107109 NLZOIUKAARPRPV-UHFFFAOYSA-N 327.215 2.850 50 40 EFGB Cc1cc(C)c(NC(=O)C(=O)N/N=C/c2ccccc2F)c(C)c1 3072781 ZKOJHIWKPRNMPT-KEBDBYFISA-N 327.359 2.840 50 40 EFGB O=C(COc1cccc(Cl)c1)N/N=C\c1ccc([N+](=O)[O-])cc1 30802317 DXGDEDBBNZUDFI-MFOYZWKCSA-N 333.731 2.777 50 40 EFGB COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2C)[C@@H](C#N)C(O)=N1 189238 XYPSWAAPWIMKHZ-DOMZBBRYSA-N 341.392 2.830 50 40 EFGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc2ccccc2o1 3449090 CCIHVPCYBFNYFG-NSHDSACASA-N 342.326 2.800 50 40 EFGB COc1ccc(/C=N/NC(=O)CC2(C)SCCS2)c(OC)c1 38534953 HDXMIPQDEWWIFY-MHWRWJLKSA-N 340.470 2.740 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1 5222047 YREKGEUEYXCGCM-LDADJPATSA-N 343.339 2.523 50 40 EFGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(C)c3)[C@H]2C1 4473387 RJSLZGNOQZNJLA-OALUTQOASA-N 343.434 2.740 50 40 EFGB CCOC(=O)[C@@H](/C(C)=N/NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 4508710 OAFMMMKCPXLOEZ-SWEABUAFSA-N 335.360 2.536 50 40 EFGB N#C/C=C/c1ccc(N2CCN(c3nccs3)CC2)c([N+](=O)[O-])c1 69655698 SVBOZTATDLFEGB-OWOJBTEDSA-N 341.396 2.915 50 40 EFGB CCN(CC)C(=O)/C(C#N)=C\c1ccc(OCC(=O)OC(C)C)cc1 409187700 TZJKECGOTLPIMW-WJDWOHSUSA-N 344.411 2.792 50 40 EFGB O=C(N/N=C\c1c(F)cccc1Cl)C(=O)Nc1ccccc1F 33552733 WUPLQOJTKZHEHB-UWVJOHFNSA-N 337.713 2.707 50 40 EFGB Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cn1 361552 BXRMBOLPJUXGLR-CAOOACKPSA-N 334.173 2.622 50 40 EFGB Cc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 8371681 QDBFCFCEGBVJGW-UGVMZYNRSA-N 339.370 2.637 50 40 EFGB COc1ccc(NC(=O)C(=O)N/N=C(/C)CCc2ccccc2)cc1 4499486 PBRMMHDYJVBABI-STZFKDTASA-N 339.395 2.759 50 40 EFGB CN(C)c1cccc(C(=O)N/N=C/c2ccc(N3CCCC3)o2)c1 59138300 IWAFKMOZQPZESO-CPNJWEJPSA-N 326.400 2.710 50 40 EFGB CC(C)COc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 552552 BXALJQMXXRVLSQ-RQZCQDPDSA-N 331.328 2.987 50 40 EFGB C/C(=N\NC(=O)CSc1nncn1C)c1cccc2ccccc12 5156730 LNSIHWLJTHEUQG-XDHOZWIPSA-N 339.424 2.601 50 40 EFGB COc1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc1[N+](=O)[O-] 13899402 OUKPYGIDMBTLKE-SXKSMHOPSA-N 331.372 2.880 50 40 EFGB COc1ccc2[nH]c(C(=O)N/N=C/c3ccc(OC)c(O)c3)cc2c1 2434437 VTEYZFGRITVZIY-VXLYETTFSA-N 339.351 2.655 50 40 EFGB COc1cc(/C=N/NC(=O)CC#N)ccc1OCc1ccc(F)cc1 59140153 JIAVMGHRVQNNAS-SRZZPIQSSA-N 341.342 2.777 50 40 EFGB Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc3c(c2)OCCO3)c1 3476938 JUOVHPXGMMGARI-RGVLZGJSSA-N 340.379 2.604 50 40 EFGB CCN(CC)c1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)o1 4670538 JNWFGUQUXMEODI-LDADJPATSA-N 344.371 2.727 50 40 EFGB Cc1ccc(SCC(=O)N/N=C2/C(=O)N(C)c3ccccc32)cc1 409329049 CLUVGRNWQBVZPY-LVZFUZTISA-N 339.420 2.584 50 40 EFGB COc1cccc(C(=O)N/N=C/c2cc(Cl)c(O)c(OC)c2)c1 561473 UUGRXHHASVJKRT-GIJQJNRQSA-N 334.759 2.827 50 40 EFGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(O)c1 536371 VFVGNPPNZOAJPM-UHFFFAOYSA-N 325.151 2.774 50 40 EFGB C/C(CC(=O)NCc1ccco1)=N\NC(=O)Cc1ccc(Cl)cc1 100510190 YSSOOUMHMDVOLW-UDWIEESQSA-N 347.802 2.674 50 40 EFGB O=C1C=C(NNC(=O)COc2ccccc2)C[C@@H](c2ccccc2)C1 408751571 ZMVULLBLPXYQPA-MRXNPFEDSA-N 336.391 2.717 50 40 EFGB CC(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2F)cc1 4673111 ARJLBXVSQYDVPH-UHFFFAOYSA-N 330.359 2.789 50 40 EFGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2C)ccc1O 242808 QPUWGMQCEQBILS-DJKKODMXSA-N 348.786 2.892 50 40 EFGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@@H]2[C@H]1c1ccccc1Cl 5584234 SOVOGRRNXZFYMJ-KWBADKCTSA-N 342.708 2.611 50 40 EFGB COc1ccc(C(=O)N/N=C/c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 6234222 VTIFQDJAHAJKHO-VCHYOVAHSA-N 343.339 2.684 50 40 EFGB COCCn1c(C)cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c1C 8334267 JYPNZDXQVUKDEO-LANLRWRYSA-N 338.411 2.509 50 40 EFGB O=C(N/N=C(/c1ccccc1)c1ccc(O)cc1O)c1ccncc1 1684941 YEAAAXNDTCXIBE-UZYVYHOESA-N 333.347 2.675 50 40 EFGB CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc1 58883447 KQPRWMHYLRZSGT-XSFVSMFZSA-N 329.444 2.837 50 40 EFGB CC(C)c1ccc(/C=N/NC(=O)CC(=O)NCc2ccccc2)cc1 2054513 RCWLDLJBRPSAQB-HYARGMPZSA-N 337.423 2.967 50 40 EFGB N#C/C(C(N)=O)=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 409390409 VBQFUEDDMLTCBF-DTQAZKPQSA-N 337.766 2.649 50 40 EFGB CC(C)Oc1ccc(/C=N/NC(=O)CNC2CCCCC2)c(O)c1 409379660 ZIDPKBBRLJLZLB-RGVLZGJSSA-N 333.432 2.552 50 40 EFGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)o1 581201 RKMAPKGLGXTPNP-XDHOZWIPSA-N 345.399 2.907 50 40 EFGB O=[P@](O)(c1ccccc1)c1ccccc1I 2046305 WNNOXXBFXJQGQG-UHFFFAOYSA-N 344.088 2.512 50 40 EFGB COCCn1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c2ccccc21 33594519 PLCVRXLRXXMWHP-QGZVFWFLSA-N 349.394 2.537 50 40 EFGB CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccc(SC)cc1 57509077 MBZBBGYJTPCJIK-CYBMUJFWSA-N 340.832 2.818 50 40 EFGB CCOC(=O)[C@H](/C(C)=N/NC(=O)c1ccc(NC(C)=O)cc1)C(C)C 4394113 SPUHUAFBEJTDDI-DORSJAEJSA-N 347.415 2.586 50 40 EFGB COc1ccc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1OC 4502184 ZRRXUNQBCLJXKV-YBFXNURJSA-N 328.368 2.785 50 40 EFGB Cc1ccc(C(=O)CCC(=O)NNC(=O)c2cc(C)oc2C)cc1 6787959 HAPXSXLMEIQIPQ-UHFFFAOYSA-N 328.368 2.629 50 40 EFGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)NCCOC 408815014 SUDNDASOBZPEQB-DTQAZKPQSA-N 334.375 2.521 50 40 EFGB COc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)c(O)c1 409393485 XSBQRZAJOSCSAO-RQZCQDPDSA-N 349.184 2.927 50 40 EFGB C=CCOc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1 44394156 RABWLGGVMOTTSR-TYJAPOHBSA-N 338.363 2.542 50 40 EFGB O=C(CBr)NC[C@H](OCC1CC1)c1ccc(F)cc1 95097955 WWZXYZPVSJIQLG-ZDUSSCGKSA-N 330.197 2.805 50 40 EFGB Cc1cccc(OCC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1 5272793 IJSNKJXJHZZBDI-UHFFFAOYSA-N 342.439 2.738 50 40 EFGB COc1cc(Cl)cc(/C=N\NC(=O)COc2ccc(C)cc2)c1O 17118662 FHKGDDVRAGFBNJ-OCKHKDLRSA-N 348.786 2.892 50 40 EFGB COc1cccc(/C=N/NC(=O)COc2cc(C)ccc2C)c1O 566331 PVGNBICKCZLXEK-VXLYETTFSA-N 328.368 2.547 50 40 EFGB Cc1cc(Br)cc2c1N(CCBr)C(=O)C2=O 33413604 BCWHJYKXPWMEAT-UHFFFAOYSA-N 347.006 2.682 50 40 EFGB COc1cc2c(cc1/C=N/NC(=O)c1ccc(Cl)cc1)OCO2 409051792 GIQGPTOVAOXALU-QGMBQPNBSA-N 332.743 2.841 50 40 EFGB CCCCOc1ccc(C(=O)N/N=C2/C(=O)Nc3ccccc32)cc1 5894877 LFEPZNUIDISKJS-UHFFFAOYSA-N 337.379 2.952 50 40 EFGB COc1ccc(C(=O)N/N=C/c2cccnc2)cc1Br 45918 BEKQAAMVCUWWMW-RQZCQDPDSA-N 334.173 2.617 50 40 EFGB COc1ccc(CC(=O)N/N=C(\C)c2ccc(F)cc2)cc1OC 5480013 NXKGDWZRRPUDFK-UDWIEESQSA-N 330.359 2.926 50 40 EFGB O=C1O[C@@H]2[C@H](I)[C@H]3C[C@@H]2[C@H]1[C@@H]3c1ccccc1 4578670 HSYRRILDTLPLIV-NGFXDRFKSA-N 340.160 2.765 50 40 EFGB Cc1ccc(C(=O)NNC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 3425128 BIMOQUBVDAJLPZ-UHFFFAOYSA-N 348.406 2.872 50 40 EFGB CC[C@@H](Br)C(=O)NCCC(=O)Nc1ccc(C)cc1C 8733169 DXTRPVNQVRQQAM-GFCCVEGCSA-N 341.249 2.922 50 40 EFGB [N-]=[N+]=Nc1ccc(C(=O)NCCSSCCC(=O)O)c(O)c1 22049596 AOMOESAZLQVHAJ-UHFFFAOYSA-N 342.402 2.920 50 40 EFGB in-vitro Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3cccs3)CC2=O)cc1C 409154053 JQKGEEFXPHXCCW-FVOVHSBVSA-N 341.436 2.868 50 40 EFGB COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)Nc1nccs1 6948737 XQZQEFMYIKDXIQ-IZZDOVSWSA-N 345.380 2.715 50 40 EFGB CCOc1cc(C(=O)NNC(=O)CC(C)C)ccc1OCC(C)C 24588061 YNNWNIRAATVNLT-UHFFFAOYSA-N 336.432 2.927 50 40 EFGB Cc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1Br 409369483 BZKRMZXLNCILCY-BFERYNQYSA-N 347.212 2.941 50 40 EFGB COc1ccc(/C=N\NC(=O)COc2cccc(C)c2C)cc1OC 30838744 BYYDVQCALXAQDX-JAIQZWGSSA-N 342.395 2.850 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)CSc2nc(C)cc(C)n2)cc1 5212326 IQKOXQODPWYOTN-DEDYPNTBSA-N 344.440 2.735 50 40 EFGB O=C(NN[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccccn1 32853651 CZKLQKIETLOSMP-GOSISDBHSA-N 346.390 2.696 50 40 EFGB COc1ccc(-c2n[nH]c3c2[C@H](c2ccoc2)C(C#N)=C(N)O3)cc1 426228 BFSQCCRPEGKUFZ-CQSZACIVSA-N 334.335 2.896 50 40 EFGB CCOc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)c(OCC)c1 409266064 WANPQXPSUNLEPX-JZQBQCRLSA-N 342.395 2.668 50 40 EFGB C/C(=N\NC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 7947192 FTEWFXSYKZWEQU-XDHOZWIPSA-N 337.395 2.911 50 40 EFGB CC1(C)C(C#N)=C(SCc2cccc([N+](=O)[O-])c2)NC(=O)[C@H]1C#N 6584573 GXCBCSBDPQHKNX-GFCCVEGCSA-N 342.380 2.859 50 40 EFGB COc1cccc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)c1O 566283 IOQXWBDXTNERCD-DJKKODMXSA-N 348.786 2.892 50 40 EFGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccc[nH]c2=S)c1C 11510936 ANANXJMKIIPCTJ-GFCCVEGCSA-N 345.424 2.590 50 40 EFGB CCCN1C(=O)/C(=N/NC(=O)c2ccc(OC)cc2)c2ccccc21 409219859 QXUKNXLUKCNCQU-LVZFUZTISA-N 337.379 2.586 50 40 EFGB CN(C)c1ccc(-n2cccc2/C=N/NC(=O)c2cccnc2)cc1 408954319 SMLJNOVSHYKDIX-KGENOOAVSA-N 333.395 2.702 50 40 EFGB CN(C)c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 261393 GRUPJYIGHWJBKU-YBFXNURJSA-N 331.803 2.935 50 40 EFGB CCCOc1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)c(O)c1 12580082 YRIXYUPFRODBFN-SRZZPIQSSA-N 345.374 2.882 50 40 EFGB N#C/C(=C/c1ccco1)C(=O)N1CCN(CCc2ccccc2)CC1 65477897 XULQIBOWQGTXEO-SDXDJHTJSA-N 335.407 2.573 50 40 EFGB O=C(CCC(=O)N/N=C/c1c[nH]c2ccccc12)NCc1ccccc1 4523898 RFGKBKMXZSOJKJ-OEAKJJBVSA-N 348.406 2.715 50 40 EFGB Cc1n[nH]c2c1[C@@H](c1ccc(Br)s1)C(C#N)=C(N)O2 5818133 HZYDTJWRKAYMHD-SNVBAGLBSA-N 337.202 2.760 50 40 EFGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cc1cn2ccsc2n1 7004640 WUKGVSSZXMOLDG-GIJQJNRQSA-N 337.408 2.878 50 40 EFGB O=C(CCl)OCC1(c2ccccc2)C(=O)c2ccccc2C1=O 5602558 PCMPDXLOKVIBMD-UHFFFAOYSA-N 328.751 2.786 50 40 EFGB O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1ccc([N+](=O)[O-])cc1 409219640 OQAYNNNQNYYPJA-REZTVBANSA-N 347.714 2.741 50 40 EFGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccccc1O 32189140 ACVAZILBQFTMPI-QGMBQPNBSA-N 328.759 2.766 50 40 EFGB Cc1cc(/C=C(/C#N)C(=O)N2CCOCC2)c(C)n1C1CCCC1 33311187 FJIRNOGCPGFYFW-ATVHPVEESA-N 327.428 2.986 50 40 EFGB CCCn1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cn1 253401586 NINMGHZKIQUFRW-OAHLLOKOSA-N 326.400 2.744 50 40 EFGB COc1ccc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)cc1[N+](=O)[O-] 4600495 OUKPYGIDMBTLKE-LIMKSIAESA-N 331.372 2.880 50 40 EFGB N#CC1=C(N)SC(N)=C(C#N)C1c1ccccc1Br 198105 LCVQSOCBGGCXKQ-UHFFFAOYSA-N 333.214 2.667 50 40 EFGB O=C(CCCCCCCCC(=O)NCCCl)NCCCl 4538777 CEFSJVISJVUTLK-UHFFFAOYSA-N 325.280 2.817 50 40 EFGB ClCCN(CCCl)c1ccc(/C=N\N=c2/nccc[nH]2)cc1 4707449 QRHJAHSNTXASJS-NDENLUEZSA-N 338.242 2.629 50 40 EFGB CC1=NN(c2ccc(C(=O)NNC(=O)c3ccc(C)cc3)cc2)CC1 42216624 QEQAWIDWPCTMIL-UHFFFAOYSA-N 336.395 2.656 50 40 EFGB C#CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1 409099590 OQLRYKASTDTZFI-LJQANCHMSA-N 346.342 2.645 50 40 EFGB CCCSc1cc(OC)ccc1C1C(C#N)=C(N)OC(N)=C1C#N 5793795 VYWIWLGITAIFAC-UHFFFAOYSA-N 342.424 2.699 50 40 EFGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccccc1Cl 6345782 QDZPYGFAHDXNBP-DEDYPNTBSA-N 343.814 2.941 50 40 EFGB COc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OC(C)C 6828021 HXFBYPRMGQUXOU-ONNFQVAWSA-N 339.189 2.637 50 40 EFGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C 102901246 FKJIPWHWHCODDT-YBFXNURJSA-N 337.339 2.636 50 40 EFGB Cc1cccc(C(=O)NNc2ncnc3c2cnn3-c2ccccc2)c1 20662202 SNQIUTBNJIWSEA-UHFFFAOYSA-N 344.378 2.881 50 40 EFGB CC(C)(C)CO[C@](Cn1cnc(=O)cn1)(SC#N)c1ccccc1 3175309 XNEXGGQRPCQNCJ-QGZVFWFLSA-N 344.440 2.768 50 40 EFGB Cc1cc(=O)n(C)c(=O)n1CCCCCCCCCBr 3156530 MWSQSCGQDSGJNC-UHFFFAOYSA-N 345.281 2.981 50 40 EFGB CC/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1cc(F)ccc1O 57411740 IIBGQVCTDITPDQ-CPNJWEJPSA-N 330.315 2.804 50 40 EFGB CCOc1ccc(/C=N/NC(=O)c2ccc(OC)cc2)cc1OC 5475796 WCMCORDSEQVHHF-XDHOZWIPSA-N 328.368 2.866 50 40 EFGB Cc1c(C(=O)NNS(=O)(=O)c2ccc(F)cc2)oc2ccccc12 7380317 SRCXGURAJVSCCL-UHFFFAOYSA-N 348.355 2.504 50 40 EFGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(N)=O)c2C)cc1 48026 XGOIJYPIJULKME-MHWRWJLKSA-N 337.379 2.663 50 40 EFGB COc1ccc(/C(C)=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 58644 IOYOSHMPBNPQRS-WQRHYEAKSA-N 343.339 2.766 50 40 EFGB Cc1cccc(O[C@H](C)C(=O)NN=Cc2ccc(N(C)C)cc2)c1 6632213 AGTQVAFLKQXZKB-OAHLLOKOSA-N 325.412 2.979 50 40 EFGB O=C(CN1CCCc2ccccc21)N/N=C/c1ccc(F)cc1F 3202157 NDLABIRJJDRIQU-SRZZPIQSSA-N 329.350 2.868 50 40 EFGB Cc1ccc(C)c(C(=O)CCC(=O)NNC(=O)c2cccs2)c1 6559249 RHALBUBERSTMHT-UHFFFAOYSA-N 330.409 2.789 50 40 EFGB C/C(=N\NC(=O)NC1CCCC1)c1ccc(N2CCCC2=O)cc1 98055484 CKXOKYNXEGXOSZ-DEDYPNTBSA-N 328.416 2.779 50 40 EFGB Cc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 408725297 GWAFRZSBUJTXND-LICLKQGHSA-N 342.311 2.504 50 40 EFGB CCn1nc(C(=O)N/N=C/c2ccc(F)s2)cc1C(F)(F)F 252511333 ZZFWCALDQZCWPA-UBKPWBPPSA-N 334.298 2.886 50 40 EFGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1C(=O)O 13058568 ZYBZJNYEWMWNSD-XYOKQWHBSA-N 337.291 2.839 50 40 EFGB Cc1cc2c(c(=O)o1)[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 48868 CHZLLSSWQZIJFJ-GFCCVEGCSA-N 332.718 2.959 50 40 EFGB CCOc1ccccc1OCC(=O)NNC(=O)c1cccc(Cl)c1 2628523 GHZABCTVLKKICK-UHFFFAOYSA-N 348.786 2.579 50 40 EFGB CC(C)C(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 58883324 QTCPFTNFJAVEGZ-NDENLUEZSA-N 339.395 2.810 50 40 EFGB COc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)NC1CCCCC1 408724617 AIYLANSTJODYLC-UKTHLTGXSA-N 329.356 2.959 50 40 EFGB COc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)c1 33720194 FURIOFKIFKYWII-WQRHYEAKSA-N 327.340 2.605 50 40 EFGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1sccc1C 5908568 XKHIHNKESFPNTL-LICLKQGHSA-N 331.397 2.544 50 40 EFGB O=C(NNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 8380911 XVCHIXMIBWAQQN-UHFFFAOYSA-N 345.207 2.617 50 40 EFGB CC[C@H](Br)C(=O)NCCC(=O)Nc1cc(C)ccc1C 8733137 MWDIDRLHETUTII-LBPRGKRZSA-N 341.249 2.922 50 40 EFGB COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)cc(OC)c1OC 20787029 DDCZDTMOEYPXDW-NTUHNPAUSA-N 342.351 2.529 50 40 EFGB C=C(C)CNC(=S)NNC(=O)c1sc(-c2ccccc2)nc1C 7677660 DVCGAYQPLSDHTM-UHFFFAOYSA-N 346.481 2.804 50 40 EFGB O=C(N/N=C/C(Br)=C\c1ccccc1)c1cnccn1 72541 VZQQEUNBFBIFGK-KJXRKRIBSA-N 331.173 2.628 50 40 EFGB O=C(N/N=C/c1ccc(OC(F)F)cc1)c1ccc2c(c1)OCO2 3210771 ARLBFTQZBYBDFN-UFWORHAWSA-N 334.278 2.781 50 40 EFGB O=C(Cc1nc(-c2ccccc2)cs1)NNC(=O)[C@@H]1CC=CCC1 8988694 KSZBODAMHMXRQH-CQSZACIVSA-N 341.436 2.856 50 40 EFGB C[C@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C#N 70665758 JHNKMSMCNITKIH-ZNRYJCSXSA-N 327.424 2.952 50 40 EFGB biogenic CCOc1cc(NC(=O)CCl)c(OCC)cc1NC(=O)CCl 300106 GOUWVOOEDUYBIR-UHFFFAOYSA-N 349.214 2.839 50 40 EFGB COc1cc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1O 573509 UZEPWYMUYHRJQG-KSSFIOAISA-N 346.390 2.994 50 40 EFGB C#CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC 2502663 SRGZIHZIICYNKD-LJQANCHMSA-N 348.358 2.631 50 40 EFGB COc1ccc(N/C=C(\C#N)C(=O)OCCOC(F)(F)F)cc1 100364415 LJJPZZSFZNWRCE-MDZDMXLPSA-N 330.262 2.594 50 40 EFGB O=C(Cl)[C@@H](Br)CC[C@@H](Br)C(=O)Cl 100051408 UMIRTQXSYVCPKO-ZXZARUISSA-N 340.826 2.824 50 40 EFGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCCCl 408981679 WCMPZQPCLWEYOZ-INIZCTEOSA-N 330.815 2.903 50 40 EFGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1O 36128338 UZEOHGKNLWNEGG-QGMBQPNBSA-N 348.746 2.516 50 40 EFGB COc1ccc(C(=O)N/N=C(\C)c2ccc(OC)c([N+](=O)[O-])c2)cc1 5638702 AHAFZYOZNIJCTB-WOJGMQOQSA-N 343.339 2.766 50 40 EFGB COc1cccc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1OC 5942718 GKSKKXXBDHBOEU-VCHYOVAHSA-N 343.339 2.684 50 40 EFGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(F)cc1 13923348 AXWIREBCPJDCTI-DJKKODMXSA-N 349.749 2.577 50 40 EFGB CCc1n[nH]c2c1[C@H](c1ccc(OC(F)F)cc1)C(C#N)=C(N)O2 32511676 XXKNXLMHHSFQQR-GFCCVEGCSA-N 332.310 2.792 50 40 EFGB CC1(C)[C@H](O)[C@]2(Br)CC[C@]1(CC#N)[C@@H]2Br 103708703 SNSPGLYSSKESNT-UUTMEEIUSA-N 337.055 2.978 50 40 EFGB O=C(CBr)Nc1cccc(C(=O)N2CCCCC2)c1 35605452 PDLVWKNGSPWVRR-UHFFFAOYSA-N 325.206 2.646 50 40 EFGB N#C/C(=C/c1cn(CC(N)=O)c2ccccc12)C(=O)Nc1ccccc1 33309424 LCUYFOKGCDDMNO-UVTDQMKNSA-N 344.374 2.672 50 40 EFGB Cc1ccc(-c2ccc(C3=NO[C@H]4C(=O)OC(=O)[C@H]34)o2)cc1Cl 257173704 VHLUTZHAJGIRPP-TZMCWYRMSA-N 331.711 2.711 50 40 EFGB COc1ccc(CC(=O)N/N=C/c2c[nH]c3ccccc23)cc1OC 5720755 FFEUOOUAMXOPNX-CIAFOILYSA-N 337.379 2.878 50 40 EFGB C=CCc1cccc(/C=N/NC(=O)c2ccccc2NC(C)=O)c1O 223921 VJJYLZYGIWMJFT-UDWIEESQSA-N 337.379 2.843 50 40 EFGB CCC[C@H](C)NC(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1 40498107 LCYLIKGRRFMSGP-LBPRGKRZSA-N 337.420 2.615 50 40 EFGB Cc1cc(Br)cc(/C=N/NC(=O)c2ccccc2O)c1O 4815567 BHJSAEDRUNFHJP-CAOOACKPSA-N 349.184 2.933 50 40 EFGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(N)=O)cc2)c1 59305870 ICEVITOAPWEORC-NTEUORMPSA-N 338.363 2.675 50 40 EFGB Cc1nc(CC(=O)N/N=C/c2c(F)c(F)c(F)c(F)c2F)cs1 3315155 PJMFFWYPTUHEQL-QBROUFQSSA-N 349.284 2.840 50 40 EFGB O=C(Nc1ccccc1C(=O)NNC(=O)c1ccco1)c1ccccc1 12768959 QFFBPXFKHNFRHN-UHFFFAOYSA-N 349.346 2.607 50 40 EFGB Cc1cc2c(c(=O)[nH]1)[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 9328765 CQYKEMJEYZEXPI-GFCCVEGCSA-N 331.734 2.694 50 40 EFGB CCOc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OC 408526473 BPLZNYHDGCWNJZ-XDHOZWIPSA-N 328.368 2.623 50 40 EFGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)ccc1O 5685920 KWNGCDRVFPCQSZ-CYBMUJFWSA-N 340.383 2.640 50 40 EFGB biogenic,in-vitro CC(C)CNC(=O)CC(=O)N/N=C\c1cccc(Cl)c1Cl 59444498 UFLGEYRAPMQRKC-LSCVHKIXSA-N 330.215 2.606 50 40 EFGB CC(C)/N=C1\S[C@H]2CS(=O)(=O)[C@H](Br)[C@]2(C)S1 100925185 LGLVMTROHNJGDS-ZOSWQGISSA-N 344.321 2.508 50 40 EFGB COC(CN/C(SC)=C(\C#N)C(=O)c1ccc(Cl)cc1)OC 100940400 YAHNZACAQQNAJT-QINSGFPZSA-N 340.832 2.829 50 40 EFGB CC(=O)NNC(=O)[C@@H](C)Sc1nc(C)c(C)n1C1CCCCC1 95468559 GBFQRCOWKLWNFQ-GFCCVEGCSA-N 338.477 2.653 50 40 EFGB Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccc(C)s3)[nH]n2)cc1 89640989 QYNOYFBWFPYRLI-UHFFFAOYSA-N 340.408 2.830 50 40 EFGB CSc1n[nH]c(NC(=O)CCl)c1-c1ccc([N+](=O)[O-])cc1 159863 ZRDDNMHGOLDEGA-UHFFFAOYSA-N 326.765 2.884 50 40 EFGB CCOC(=O)COc1cccc(/C=N/NC(=O)c2ccc(F)cc2)c1 8812334 YPUVELFKGFUGKM-RGVLZGJSSA-N 344.342 2.532 50 40 EFGB C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)C1C(=O)c2ccccc2C1=O 100505472 DIUYJGLUCJWLBP-BYVAVYOLSA-N 346.386 2.978 50 40 EFGB CC(C)N1C[C@H](C(=O)NN=C(c2ccccc2)c2ccccc2)CC1=O 69351949 OACYUYLFWYCRAC-GOSISDBHSA-N 349.434 2.812 50 40 EFGB O=C(COc1ccc(Cl)cc1)N/N=C\c1cccc([N+](=O)[O-])c1 31776088 DWMIBBDDJJNOJZ-MFOYZWKCSA-N 333.731 2.777 50 40 EFGB Cc1cc(O)c2c3c(c(O)c4c(c13)O[C@@H](C)C4(C)C)C(=O)OC2=O 72319981 TWBCJAQLHHKHDU-ZETCQYMHSA-N 328.320 2.929 50 40 EFGB COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(C)o2)cc1OC 118053 DCPOGRBHLIUKER-RVDMUPIBSA-N 340.379 2.871 50 40 EFGB CSc1ccc(/C=N\NC(=O)CC(=O)NCc2ccccc2)cc1 59444844 JLNZIPHBLUMDLS-MOSHPQCFSA-N 341.436 2.565 50 40 EFGB COc1ccc2oc(C(=O)NNC(=O)c3cccs3)c(C)c2c1 7795591 ABTGDOYRXVUZEO-UHFFFAOYSA-N 330.365 2.886 50 40 EFGB N#C/C(=C\c1ccccc1C(=O)O)C(=O)Nc1cccc([N+](=O)[O-])c1 408921818 CFQPXWRDMVUAJM-XYOKQWHBSA-N 337.291 2.839 50 40 EFGB CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 19597382 SNVPOJGNINTOIL-AWEZNQCLSA-N 345.380 2.784 50 40 EFGB CC1=CC(=O)[C@H](Cl)[C@](C)(Cl)/C1=N/S(=O)(=O)c1ccccc1 105600276 OEFOIRDIQFJSAZ-FZALAAENSA-N 346.235 2.950 50 40 EFGB COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)c(O)c([N+](=O)[O-])c1 408948298 CPGGTBXAMJGZEM-DPCABZMUSA-N 347.371 2.585 50 40 EFGB COc1cc(OC)cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)C)c32)c1 4631564 MUFJBWWUQPAZDK-CQSZACIVSA-N 340.383 2.768 50 40 EFGB CCOC(=O)c1c(N/C(C)=C(\C#N)C(N)=O)sc2c1CCCCC2 6650708 JVUOSKONHVBBFU-ZRDIBKRKSA-N 347.440 2.888 50 40 EFGB CCCN1CC=C2[C@H](C1)[C@@H](c1ccsc1)C(C#N)=C(N)C2(C#N)C#N 19832304 PWHPYBBLANZBOJ-RDJZCZTQSA-N 349.463 2.883 50 40 EFGB N#Cc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 408965326 KFGRPIPPXCFZQX-VXLYETTFSA-N 334.291 2.977 50 40 EFGB CCOc1ccc(/C=N\NC(=O)CNc2ccc(C)cc2)cc1OC 38194628 JFBXFVYTBYUQIK-MTJSOVHGSA-N 341.411 2.965 50 40 EFGB NNC(=O)c1cc(Br)c2[nH]c(-c3ccccc3F)nc2c1 216921034 NEYCNVLLZXHBPC-UHFFFAOYSA-N 349.163 2.735 50 40 EFGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1[N+](=O)[O-] 4852615 ULLBSUKWMFDNOJ-UHFFFAOYSA-N 343.383 2.572 50 40 EFGB COc1cc(C(=O)N/N=C(/C)c2cccs2)cc(OC)c1OC 6753837 ACCOVNKWKSEZPB-YVLHZVERSA-N 334.397 2.928 50 40 EFGB C[C@H]1CCc2sc(C(=O)N/N=C3/C(=O)Nc4ccccc43)cc2C1 102736553 NZCYUOMWLOFHBS-JTQLQIEISA-N 339.420 2.959 50 40 EFGB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CCl 530954 UTBNQAQCCUGDRO-UHFFFAOYSA-N 340.763 2.539 50 40 EFGB Cc1cc(OCC(=O)NNC(=O)c2cccc(F)c2)ccc1Cl 3360306 FUNDNTKBMSPLDQ-UHFFFAOYSA-N 336.750 2.628 50 40 EFGB Cc1cc(C(=O)NNC(=O)N[C@H](C)CCc2ccccc2)c(C)o1 48309909 WMJXCZNJPFBYOA-GFCCVEGCSA-N 329.400 2.862 50 40 EFGB C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 4695807 FLNSBGDCGCDGEZ-BOPFTXTBSA-N 342.311 2.586 50 40 EFGB COc1cc(OC)cc(C(=O)N/N=C\c2ccc(C)c([N+](=O)[O-])c2)c1 33329350 NMRLMAQKHXVMTD-ZDLGFXPLSA-N 343.339 2.684 50 40 EFGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)N/N=C/c1ccccc1Cl)OC2=O 16712917 WLNBFMDKZABLNM-VAGOZBQTSA-N 334.803 2.912 50 40 EFGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(F)cc2)[C@H]2CSCC=C12 48890 OWRZYFCVHSQAEN-HOTGVXAUSA-N 336.395 2.982 50 40 EFGB CCOC(=O)[C@@H](/C(C)=N/NC(=O)c1ccc(NC(C)=O)cc1)C(C)C 4394114 SPUHUAFBEJTDDI-DDLUMYACSA-N 347.415 2.586 50 40 EFGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(C)cc1OC 5817628 MPDOAKFEGUSKLS-MRXNPFEDSA-N 340.383 2.652 50 40 EFGB O=C(NNS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1ccoc1 60838917 KSDLHAWTSOPZKQ-UHFFFAOYSA-N 348.424 2.951 50 40 EFGB CCN(C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)CCl 79392674 MRFUNGYRBNDONI-OAHLLOKOSA-N 338.835 2.732 50 40 EFGB CCS(=O)(=O)[C@H](Br)[C@H](O)c1ccc(Cl)cc1 96519092 AKCSLCHEAFBGDQ-ZJUUUORDSA-N 327.627 2.529 50 40 EFGB CCCc1c(/C=C(\C#N)C(=O)OCC)c(OC)c2c(c1OC)OCO2 15084721 MSJQYLFUIXRHLJ-DHZHZOJOSA-N 347.367 2.855 50 40 EFGB COc1ccc(OC)c(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)c1 409388379 UUMLZBSLJICZME-DHDCSXOGSA-N 325.368 2.799 50 40 EFGB CCCCN1C(=O)/C(=N/NC(=O)c2ccc(C)nc2)c2ccccc21 18122696 YFDXRKPPRVTGNB-HEHNFIMWSA-N 336.395 2.671 50 40 EFGB COc1cccc(-c2n[nH]c3c2[C@@H](c2ccoc2)C(C#N)=C(N)O3)c1 5817958 BFSGOLWAUQDRDV-AWEZNQCLSA-N 334.335 2.896 50 40 EFGB N#C/C(=C\c1ccc(Br)s1)C(=O)NC[C@H]1CCCO1 16049912 SYYSNMGUFWWWKI-OLKPEBQYSA-N 341.230 2.713 50 40 EFGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1[N+](=O)[O-] 33345759 HHTWRCDDWPCLON-PXNMLYILSA-N 348.702 2.920 50 40 EFGB COc1ccc(/C=C(\C#N)C(=O)NCc2cccs2)cc1OC 270353 SKXRMMRKWREEBX-MDWZMJQESA-N 328.393 2.989 50 40 EFGB O=C(CBr)Nc1ccc(I)cc1 5863469 JGIFPRWFFQZALF-UHFFFAOYSA-N 339.958 2.625 50 40 EFGB CN(C)c1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc1 223406 ZJGKNRRZEMYLAG-RGVLZGJSSA-N 330.819 2.968 50 40 EFGB CCOc1ccc(NCC(=O)N/N=C2\CC(=O)CC(C)(C)C2)cc1 100021081 AJRZEGRLCOVCJZ-XSFVSMFZSA-N 331.416 2.749 50 40 EFGB CCn1c(C)cc2c(c1=O)[C@H](c1ccccc1F)C(C#N)=C(N)O2 2228399 PSBVIFZJHNOTFL-OAHLLOKOSA-N 325.343 2.534 50 40 EFGB C=CCc1cc(/C=N\NC(=O)c2ccccc2O)cc(OCC)c1O 408854836 JWPVYNRYATZWCY-NDENLUEZSA-N 340.379 2.989 50 40 EFGB O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccn3)o2)cc1 408723643 YTLMNBOQQRCSBC-RGVLZGJSSA-N 335.319 2.804 50 40 EFGB Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=C(\C#N)C(N)=O 7986611 UOPOCYMVHZIEQM-NTCAYCPXSA-N 335.411 2.563 50 40 EFGB O=S1(=O)c2ccccc2[C@H](N2CCCCC2)[C@@H]1Br 90470060 XWSDTNCPIPMWKN-QWHCGFSZSA-N 330.247 2.722 50 40 EFGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cccc(F)c2)c1C 12812691 DBCPSCDSAXCENG-ZDUSSCGKSA-N 330.359 2.671 50 40 EFGB CCOC(=O)NC(=O)/C(C#N)=C\NNc1ccc(Cl)cc1Cl 100324365 VQDQWIZGPBFJEM-FPLPWBNLSA-N 343.170 2.590 50 40 EFGB Cc1ccc(OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1C 568888 KYHQNDKTIZNKJJ-UHFFFAOYSA-N 332.787 2.797 50 40 EFGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(F)cc1 8812169 JAMUVCZDXHDOBX-GIJQJNRQSA-N 347.302 2.515 50 40 EFGB CO[C@]1(c2ccccc2)C[C@@H]1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 4897726 BHMIBLWITDNUHG-YMTWKCNESA-N 339.351 2.607 50 40 EFGB Cc1ccc(-n2ncc3c(NNC(=O)c4ccco4)ncnc32)cc1C 7393259 OZDDDLNVCYJDSU-UHFFFAOYSA-N 348.366 2.782 50 40 EFGB COc1ccc(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)cc1 33329002 YQJBYOHBPHBEKH-ZDLGFXPLSA-N 347.758 2.950 50 40 EFGB N#C/C(N)=C(C#N)\N=C\c1ccc(N(CCCl)CCCl)cc1 1582174 LGPBCPZUKQPRRC-AUKQTHPRSA-N 336.226 2.607 50 40 EFGB O=S(=O)(NCCBr)c1ccc(Cl)cc1Cl 2387825 RTIMDXHOCULYOW-UHFFFAOYSA-N 333.034 2.667 50 40 EFGB O=C(CCn1nnc2ccccc21)N/N=C/c1cccc(Cl)c1 252583 CVSMYFHTOSMNRN-WOJGMQOQSA-N 327.775 2.625 50 40 EFGB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N/N=C\c1cccs1 17169914 DUBIYQFOOKFXJQ-JMIUGGIZSA-N 345.468 2.531 50 40 EFGB COc1ccc([C@@H]2[C@@H](C#N)C(=C(C#N)C#N)N=C(C)[C@@H]2C(C)=O)cc1 103021721 HQSHBHYJDDWBSS-KZNAEPCWSA-N 332.363 2.900 50 40 EFGB O=C(N/N=C/c1c(F)c(F)c(F)c(F)c1F)c1ccccc1O 3100139 QJCQJZYKGTZRPC-DENHBWNVSA-N 330.212 2.852 50 40 EFGB Cc1ccc(C(=O)NNc2oc(-c3ccccc3)nc2C(N)=O)cc1 35681820 KYUIWFNQCCMTPG-UHFFFAOYSA-N 336.351 2.506 50 40 EFGB O=C(NNC(=O)c1ccccc1C(=O)c1ccccc1)c1ccccc1 4017817 JSWMRUHSDMURHN-UHFFFAOYSA-N 344.370 2.992 50 40 EFGB C/C(=N\NC(=O)CSc1nc2ccccc2o1)c1cccnc1 19861254 GDQYMMRNNGEMIP-YBFXNURJSA-N 326.381 2.855 50 40 EFGB COc1cccc(CC(=O)N/N=C\c2cc(OC)c(OC)cc2C)c1 408549172 QGZRYYKEEVINRN-NDENLUEZSA-N 342.395 2.714 50 40 EFGB N#CC1=C(S)NC(=O)[C@H](C(=O)Nc2ccccc2)C12CCCCC2 95117484 WWSVIZGCZZVOPI-AWEZNQCLSA-N 341.436 2.987 50 40 EFGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OC)c1O 478014 KWHAHSNZDYXMBG-GIJQJNRQSA-N 334.759 2.827 50 40 EFGB CCOc1ccc(C(=O)N/N=C\c2ccc(O)cc2)cc1OCC 409311296 ZCZYQQVAASXPLR-UNOMPAQXSA-N 328.368 2.954 50 40 EFGB Cc1ccccc1COc1ccc(C(=O)NN)cc1Br 216819553 UZGHXRWZRWRIFE-UHFFFAOYSA-N 335.201 2.940 50 40 EFGB CN(/N=C/c1cccc([N+](=O)[O-])c1O)C(=O)OCc1ccccc1 409188865 HAYUTCOYPAJHBL-LICLKQGHSA-N 329.312 2.903 50 40 EFGB N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)N1CCOCC1 17156656 BDHZXKFDICKTJV-KAMYIIQDSA-N 326.327 2.851 50 40 EFGB Cc1c(C(=O)NNC(=O)CC(C)C)cnn1-c1cccc(Cl)c1 24915215 ZJWQWFAAFMMUFI-UHFFFAOYSA-N 334.807 2.641 50 40 EFGB N#CCC(=O)N/N=C/c1cccn1-c1cccc(Br)c1 409019207 IKRYZRCZICVEOE-LICLKQGHSA-N 331.173 2.604 50 40 EFGB COc1ccc2nc(N3CCCCC3)c(/C=C(\C#N)C(N)=O)cc2c1 35147605 UUQZEJOCMJXJQL-XNTDXEJSSA-N 336.395 2.626 50 40 EFGB CCOC(=O)/C(C#N)=C(/SC)[C@@H]1CCCC/C1=C(/C#N)C(=O)OC 100993123 UPJCJYZTRZQIRH-KFOGPJSXSA-N 348.424 2.874 50 40 EFGB Cc1ccc(NCC(=O)N/N=C/c2c(Cl)nc3ccccn23)cc1 33045601 PYARMLBSDMNYQR-KEBDBYFISA-N 341.802 2.858 50 40 EFGB COc1ccc(/C=C/C(=O)NN)cc1OCc1ccc(Cl)cc1 216900796 BLHXKROMVQQDES-WEVVVXLNSA-N 332.787 2.931 50 40 EFGB COc1cc(/C=N/NC(=O)Nc2ccccc2)cc(OC)c1OC 498233 ZWBHRQBYNCIXNX-WOJGMQOQSA-N 329.356 2.868 50 40 EFGB COc1ccc(/C=N/NC(=O)Cn2cc(C#N)c3ccccc32)cc1 2776559 VZZDWOLTECDGIP-SRZZPIQSSA-N 332.363 2.672 50 40 EFGB Cn1c(=O)n(C)c2cc(/C=C(\C#N)c3nc4ccccc4[nH]3)ccc21 3900790 DVJHUHZONQKOHO-UKTHLTGXSA-N 329.363 2.817 50 40 EFGB O=C(CBr)NC[C@H](OCC1CC1)c1ccccc1F 95097949 LRPSJEHTDPFCLS-ZDUSSCGKSA-N 330.197 2.805 50 40 EFGB CCc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 3024392 YPXWJVGGOUGIIF-VYVDHXHBSA-N 335.407 2.752 50 40 EFGB Cc1ccc(SCC(=O)N/N=C/c2ccccc2C(=O)O)cc1 13350682 UFXXIBCWUAGYOU-VCHYOVAHSA-N 328.393 2.936 50 40 EFGB COC(=O)C[C@@H](SSC(Cl)(Cl)Cl)C(=O)OC 1683181 CCLOCSXNQMMPTN-SCSAIBSYSA-N 327.638 2.800 50 40 EFGB CO[C@H](C(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 20248237 KJEJIVHWHGKITM-IQFISFIMSA-N 327.340 2.823 50 40 EFGB Cc1cc(NC(=O)NNc2ccc(F)cc2Br)n(C)n1 48870225 RNCCIUNHXUOSNB-UHFFFAOYSA-N 342.172 2.779 50 40 EFGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 5921007 HHSZRCQDGVWDNM-ZUBDHGJMSA-N 345.355 2.600 50 40 EFGB COCCn1c(C)cc(/C=N\NC(=O)Cc2ccc(F)cc2)c1C 409232028 MQWTYZLQWRPTDF-NDENLUEZSA-N 331.391 2.583 50 40 EFGB Cc1cc(/C=N\NC(N)=O)c(C)n1-c1cccc(Br)c1 409066654 WKRZLNNVGWGRNB-IUXPMGMMSA-N 335.205 2.859 50 40 EFGB CCOc1cccc(/C=N/NC(=O)c2ccc(C#N)cc2F)c1O 408966687 MYVJFAYCHQAPLE-KEBDBYFISA-N 327.315 2.566 50 40 EFGB CC(C)Oc1ccc(/C=N/NC(=O)CC(=O)NC2CCCCC2)cc1 5381401 IZRNWJOEESJPFE-DEDYPNTBSA-N 345.443 2.763 50 40 EFGB O=C(CCc1ccccc1)NNC(=O)c1cccc(Br)c1 588210 KNTWHZAHCQIFCT-UHFFFAOYSA-N 347.212 2.843 50 40 EFGB O=C(NNC(=O)c1ccc(Cl)s1)c1cc(-c2ccccc2)n[nH]1 7948458 SHNLTOPSDCPGJR-UHFFFAOYSA-N 346.799 2.866 50 40 EFGB C[C@@H](NC(=O)C(=O)N/N=C\c1c(F)cccc1Cl)c1ccccc1 408753295 NNEVTYNRGMWIFQ-BPXUPMHTSA-N 347.777 2.807 50 40 EFGB O=C(Cl)[C@@H](Br)CC[C@H](Br)C(=O)Cl 100051404 UMIRTQXSYVCPKO-IMJSIDKUSA-N 340.826 2.824 50 40 EFGB C[C@@]12CC3CC(C(=O)NNC(=O)c4cccnc4)(C1)C[C@](C)(C3)C2 12600146 ULXDPWZOQIWDNR-DFDFAMMDSA-N 327.428 2.839 50 40 EFGB CC(C)(CCl)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2 5136788 GUDGXWAGQRRCSH-UHFFFAOYSA-N 344.864 2.602 50 40 EFGB COc1ccccc1C(=O)NNC(=O)c1cccc(Br)c1 290230 PBSQTYOYITXDDE-UHFFFAOYSA-N 349.184 2.533 50 40 EFGB CCCCOc1ccc(/C=N\NC(=O)c2sc(N)nc2C)cc1 31854423 UNFGPQDPQVYSHH-ZDLGFXPLSA-N 332.429 2.977 50 40 EFGB C=CCN1C(=O)/C(=C(\C#N)C(=O)Nc2cccnc2)c2ccccc21 409388555 MKLVNTSQWOJTJV-BMRADRMJSA-N 330.347 2.530 50 40 EFGB O=C(N/N=C1/SCC(=O)N1Cc1cccs1)c1ccccc1F 1361594 JUNGADISSBAQDL-OBGWFSINSA-N 349.412 2.664 50 40 EFGB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(C)(C)CCl 5339347 QSMUCTSURXPYEA-UHFFFAOYSA-N 344.864 2.738 50 40 EFGB Cc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1 236011 JRIRTRBYRULQMM-UHFFFAOYSA-N 333.185 2.832 50 40 EFGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCC 20987080 XKGXKWVMYUPLSQ-BJMVGYQFSA-N 339.189 2.639 50 40 EFGB O=C(O)c1cccc(-n2cccc2/C=N\NC(=O)c2ccccc2O)c1 409106463 NKRASXOQJQIILZ-NDENLUEZSA-N 349.346 2.645 50 40 EFGB O=C1C(=O)N(CCCBr)c2ccc(Br)cc21 33413612 SEOLJSWXRCEQBJ-UHFFFAOYSA-N 347.006 2.763 50 40 EFGB NNC(=O)/C=C/c1ccc(-c2ccc(Br)cc2F)o1 73638288 APVIEHBYBUOUEO-ZZXKWVIFSA-N 325.137 2.851 50 40 EFGB COC(=O)CSC1=C(C#N)[C@@H](c2cccc(Cl)c2)CC(=O)N1 189610 DDWAYZCKAPLOGW-LLVKDONJSA-N 336.800 2.585 50 40 EFGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccccc1 4502840 JBLMNISPBCWYQZ-CQSZACIVSA-N 340.408 2.635 50 40 EFGB Cc1cc2c(c(=O)[nH]1)[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 9332010 WJYTYBNIZHLXFQ-CYBMUJFWSA-N 347.296 2.920 50 40 EFGB C/C(=N/OCC(=O)N/N=C/c1ccc(N(C)C)cc1)c1cccs1 5479926 ADBUSBKQOLMLDC-VJFIIVNCSA-N 344.440 2.705 50 40 EFGB COC(=O)CSC1=C(C#N)[C@H](c2ccccc2C)[C@H](C#N)C(O)=N1 189244 XYPSWAAPWIMKHZ-SWLSCSKDSA-N 341.392 2.830 50 40 EFGB C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)C1C(=O)c2ccccc2C1=O 100505470 DIUYJGLUCJWLBP-CBCLUANDSA-N 346.386 2.978 50 40 EFGB CCc1ccc(C(=O)NNC(=O)c2c[nH]nc2-c2ccccc2)cc1 8725631 XSEIIUMDTCQSBX-UHFFFAOYSA-N 334.379 2.714 50 40 EFGB O=C(CNC1CCCCC1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 9489298 HRIJFOYLMRBPDJ-GIJQJNRQSA-N 338.795 2.621 50 40 EFGB COc1ccc(OC)c(/C=N/NC(=O)[C@@H](OC)c2ccccc2)c1 219116 WCJBBBMPHNXUOI-DAQNXSASSA-N 328.368 2.542 50 40 EFGB CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccncc1 1516659 BKUPGHJIFYAHOJ-MRXNPFEDSA-N 330.347 2.915 50 40 EFGB O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1ccccc1 5003649 LRTXVDOOYSSDOH-CHWSQXEVSA-N 342.311 2.750 50 40 EFGB Cc1cccc(N[C@H]2SC(=O)N(CCBr)C2=O)c1 12113064 PVBGNHMEPKTVTI-JTQLQIEISA-N 329.219 2.823 50 40 EFGB O=C(CCCc1ccc(O)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 6241861 AKIIEQKLMCPBIS-LDADJPATSA-N 327.340 2.773 50 40 EFGB O=S(=O)(O)c1ccc(P(c2ccccc2)c2ccccc2)cc1 100002504 VPFKYAOGDKHTPZ-UHFFFAOYSA-N 342.356 2.692 50 40 EFGB CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccs2)cc1 143481 CBXMBCOLSAGEJF-UHFFFAOYSA-N 331.397 2.562 50 40 EFGB C/C(CC(=O)NCc1ccccc1Cl)=N\NC(=O)c1ccccn1 12629266 DXZDARVHKWZJAK-CIAFOILYSA-N 344.802 2.547 50 40 EFGB COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1cccnc1 9355177 BFHFJLNSDHREDE-KGENOOAVSA-N 338.411 2.844 50 40 EFGB C=CCN1C(=O)/C(=C(\C#N)C(=O)NC2CCCCC2)c2ccccc21 409389380 QBBIAOWGJQIGDQ-FBMGVBCBSA-N 335.407 2.945 50 40 EFGB Cc1ccnc(Sc2ccc(/C=N/NC(=O)c3ccncc3)o2)n1 409271555 KBIDZJBQJOEEDC-VXLYETTFSA-N 339.380 2.688 50 40 EFGB COc1cc(/C=N\NC(=O)c2cc(C)oc2C)cc(OC)c1OC 33294697 VXUDWQQBBUACAE-NVMNQCDNSA-N 332.356 2.686 50 40 EFGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cnn(CC(F)F)c1 253398798 HOPNKJIWFWTBJP-AWEZNQCLSA-N 348.353 2.599 50 40 EFGB O=C(N/N=C/c1ccc(Cl)cc1)c1n[nH]cc1Br 247390 AIYGIXXBWZVTHL-LHHJGKSTSA-N 327.569 2.590 50 40 EFGB C=CCc1cccc(/C=N/NC(=O)CNc2ccccc2OC)c1O 60445 FCTBQQCTKGINNH-CIAFOILYSA-N 339.395 2.692 50 40 EFGB CN(c1ccc(C(=O)NN=C2CCCCCC2)cc1)S(C)(=O)=O 409137498 VLPRIQHHFVEMTE-UHFFFAOYSA-N 337.445 2.522 50 40 EFGB Cc1c(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c2ccccc2n1C 409046692 LFPZBKOGVIYOGF-SRZZPIQSSA-N 349.390 2.908 50 40 EFGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1N1CCOCC1 409188774 AJFFORHGWYXZEP-LGMDPLHJSA-N 339.439 2.797 50 40 EFGB CC(C)(C)OC(=O)NNC[C@H](O)c1ccc(F)c(C(F)(F)F)c1 1615787129 FPMMKRMOYNZKGF-NSHDSACASA-N 338.301 2.907 50 40 EFGB NC(=O)N/N=C/c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 3200741 OOWDJEHKIUSOLR-DJKKODMXSA-N 340.774 2.590 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)c2cccc(F)c2)cc1[N+](=O)[O-] 4702468 DFKJRHKERRFDOW-VCHYOVAHSA-N 331.303 2.897 50 40 EFGB O=C(CCl)N1CC[C@@H](N(C(=O)OCc2ccccc2)C2CC2)C1 79412064 SGQWPAJHCYXULH-OAHLLOKOSA-N 336.819 2.627 50 40 EFGB COc1cccc(/C=N/NC(=O)c2ccccc2Br)c1O 263095 ANJYNJXXIQDKRZ-RQZCQDPDSA-N 349.184 2.927 50 40 EFGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(OC)c1O 4113769 UDARKIOLESVHLP-GIJQJNRQSA-N 334.759 2.827 50 40 EFGB O=C(NNC(=O)c1ccco1)c1ccc(NC(=O)c2ccccc2)cc1 5772826 VERNBBLCHLTOEB-UHFFFAOYSA-N 349.346 2.607 50 40 EFGB CCOC(=O)C1=C(CCl)OC(/N=C/N)=C(C#N)[C@H]1c1ccccc1 226762157 XXXRJZFVRHLIOZ-CQSZACIVSA-N 345.786 2.579 50 40 EFGB CN(C)c1ccc(/C=N/NC(=O)c2ccco2)cc1Br 409044032 NOYUNJBYUCMEBK-CXUHLZMHSA-N 336.189 2.872 50 40 EFGB COc1cccc(/C=N/NC(=O)c2cccc(Cn3cccn3)c2)c1 131654 GPOBJYHFTXEFNH-DEDYPNTBSA-N 334.379 2.704 50 40 EFGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc2c(c1)OCO2 3148299 YHUDWHKWEUDZSJ-UFWORHAWSA-N 331.759 2.631 50 40 EFGB C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc(O)cc1O 5620859 BWVZQVFRBFIDJD-VCHYOVAHSA-N 334.759 2.670 50 40 EFGB COc1cc(C(=O)N/N=C2\CC(=O)CC(C)(C)C2)cc(OC)c1OC 100014834 GKIVCERLFMWUMA-XDHOZWIPSA-N 348.399 2.577 50 40 EFGB COc1cccc2sc(NNC(=O)COc3ccccc3)nc12 4121329 LHBSCBCREBVNES-UHFFFAOYSA-N 329.381 2.827 50 40 EFGB COc1ccc2c(CC(=O)NNC(=O)c3ccc(C)cc3)coc2c1 3374793 ORSRYASEUGASOJ-UHFFFAOYSA-N 338.363 2.754 50 40 EFGB C/C(=N/NC(=O)COc1nc(C)nc2ccccc12)c1ccccc1 4863152 RKZMWXHWEBXNQM-XKZIYDEJSA-N 334.379 2.857 50 40 EFGB COC[C@H](C)NC(=O)/C(C#N)=C\c1cc(Br)cs1 96669435 WAOVSSAFPXKBQQ-CLJBBPMWSA-N 329.219 2.569 50 40 EFGB O=C(CSc1nc2ccccc2s1)N/N=C\c1ccccn1 4459710 GVYPYHVIFFIFON-MFOYZWKCSA-N 328.422 2.934 50 40 EFGB C/C(=C\C(=O)c1ccccc1)NNC(=O)c1ccccc1[N+](=O)[O-] 6157469 OSAISGHZQCUCCN-VAWYXSNFSA-N 325.324 2.616 50 40 EFGB O=C(NNC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 40068947 KQVXTVASTUNGDW-UHFFFAOYSA-N 337.423 2.996 50 40 EFGB NC(=O)N/N=C1\c2ccccc2-c2c(C(=O)N3CCCCC3)cccc21 103591986 QSTWZWAPESODOX-RELWKKBWSA-N 348.406 2.714 50 40 EFGB CC(C)(C)c1cc(C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)[nH]n1 8996123 GWLLGBZNQXEWOG-CNHKJKLMSA-N 348.790 2.853 50 40 EFGB C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1cccnc1 15938583 NWEPIUOGTMVUKW-XQNSMLJCSA-N 345.402 2.858 50 40 EFGB CC1(C)[C@@H](O)[C@@]2(Br)CC[C@@]1(CC#N)[C@H]2Br 252487148 SNSPGLYSSKESNT-YJFSRANCSA-N 337.055 2.978 50 40 EFGB O=C(/C=C/c1ccccc1)NNC(=O)c1cc(Cl)nc(Cl)c1 159817 AKLLUOQKQJKCSM-VOTSOKGWSA-N 336.178 2.863 50 40 EFGB CCN(CC)c1ccc(/C=N/NC(=O)CNc2ccccc2)c(O)c1 43278 QFYWSYYZWNUAKU-FYJGNVAPSA-N 340.427 2.801 50 40 EFGB COc1ccc(OC)c(/C=N\NC(=O)COc2ccc(C)cc2C)c1 30843607 YLQURWCHIXTBTD-JAIQZWGSSA-N 342.395 2.850 50 40 EFGB N#CC1=C(SCC(N)=O)N=C2CCCC(O)=C2[C@H]1c1ccco1 102616114 HBGOKOHVQKOVIJ-CQSZACIVSA-N 329.381 2.767 50 40 EFGB COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OC 59922372 IXUVDDBVHIAIHP-VCHYOVAHSA-N 343.339 2.684 50 40 EFGB C[C@H]1CCc2nc3ccccc3c(C(=O)NNc3ncccn3)c2C1 44716912 IHSONNQMNQBCMC-LBPRGKRZSA-N 333.395 2.907 50 40 EFGB CC(=O)N/N=C/c1cccc(OCCOc2ccc([N+](=O)[O-])cc2)c1 4510904 YOMUEZSRXSLLMI-LDADJPATSA-N 343.339 2.523 50 40 EFGB CNC(=O)Cn1ccc2ccc(NC(=O)/C(C#N)=C\c3ccco3)cc21 73120382 ZVGBYHVZABMLRF-ZROIWOOFSA-N 348.362 2.526 50 40 EFGB COc1ccc(CC(=O)N/N=C(\C)Cc2ccccc2)cc1OC 408718631 MMAWEFMUNIMSND-XSFVSMFZSA-N 326.396 2.981 50 40 EFGB CN(C)c1ccc(/C=N/NC(=O)c2ccccc2Br)o1 408992478 AAJZKCFBFIUZPU-CXUHLZMHSA-N 336.189 2.872 50 40 EFGB CC1=Nc2cc(Cl)ccc2[C@H](c2ccccc2)N1CC(=O)NN 256027893 IQDQUBHCUWWNAP-KRWDZBQOSA-N 328.803 2.785 50 40 EFGB COc1ccc(SCC(=O)NNC(=S)Nc2ccccc2)cc1 82001 KGIOEFXZFCVPRE-UHFFFAOYSA-N 347.465 2.805 50 40 EFGB C[C@@]12CC3CC(C(=O)NNC(=O)c4ccccn4)(C1)C[C@](C)(C3)C2 12600072 LKXIOAZPYSGAOF-DFDFAMMDSA-N 327.428 2.839 50 40 EFGB COc1ccc(CCC(=O)N/N=C(\C)c2ccc3c(c2)OCO3)cc1 15933875 IYQSVWHOMNVRSB-DEDYPNTBSA-N 340.379 2.897 50 40 EFGB COc1cc(/C=C(\C#N)c2ccc(F)cc2)ccc1OCC(N)=O 1078709 AFUHQZGNAMARMF-RIYZIHGNSA-N 326.327 2.763 50 40 EFGB CCOC(=O)N1CCC[C@H](C(=O)NNc2cccc(Cl)c2)C1 30807431 NVCBATYSNRZAOL-NSHDSACASA-N 325.796 2.652 50 40 EFGB O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] 58886468 HDOFKJWIGJRVDE-YAJBTMAUSA-N 327.340 2.559 50 40 EFGB O=C(CCSc1ccccc1)N/N=C1\C(=O)Nc2ccccc21 59473045 FWWQADYWKQHFFD-UHFFFAOYSA-N 325.393 2.641 50 40 EFGB O=C(CBr)Nc1ccc(C(=O)NCc2ccco2)cc1 35605468 NUSGBTPGBCPXLZ-UHFFFAOYSA-N 337.173 2.543 50 40 EFGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)ccc1OCC#N 408805732 LDHUUIRGMPGAHD-LERPTODRSA-N 327.384 2.809 50 40 EFGB COCc1[nH]nc2c1[C@H](c1ccc(OC(C)C)cc1)C(C#N)=C(N)O2 4168087 QACJHTHTDPXXQB-OAHLLOKOSA-N 340.383 2.561 50 40 EFGB CC1=C(C)[C@H](NNC(=O)c2ccccc2)N(CCc2ccccc2)C1=O 4675038 QXAWOZYQSAAFGV-LJQANCHMSA-N 349.434 2.668 50 40 EFGB CCOC(=O)C1=C(C)OC(O)=C(C#N)[C@H]1c1ccc2c(c1)OCO2 408729770 CRQMEOZLBPJKKC-OAHLLOKOSA-N 329.308 2.659 50 40 EFGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1 409189191 FENIMJVNQZQYKI-PTNGSMBKSA-N 342.395 2.594 50 40 EFGB CCOc1cc2c(cc1/C=N\NC(=O)Cc1ccccc1)OCO2 409107615 WYZDDVCXZXTSIU-ODLFYWEKSA-N 326.352 2.507 50 40 EFGB CC(/C=N/NC(=O)COc1ccccc1[N+](=O)[O-])=C\c1ccco1 14921345 HRKLQKRHZGQFOC-GRALHKOYSA-N 329.312 2.772 50 40 EFGB Cc1ccc(OCC(=O)N/N=C/c2ccccc2F)c([N+](=O)[O-])c1 59024 UGUDILHHOFLFGC-GIJQJNRQSA-N 331.303 2.571 50 40 EFGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](CCc3ccccc3)[C@@H]2C1 804180 WZGYXEQKTWLZDZ-RTBURBONSA-N 343.434 2.507 50 40 EFGB Cc1cc(C)n(CCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)n1 502411 KOYMXWVNMDLVQN-RQZCQDPDSA-N 349.778 2.602 50 40 EFGB O=C(N/N=C/c1ccc2ccccc2c1)c1n[nH]c(=O)c2ccccc12 6509282 JKDQYLJNRPNOKO-CIAFOILYSA-N 342.358 2.840 50 40 EFGB C[C@H]1C=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3)[C@]2(C)CN1C 35366019 XDCMOLBWROZGKQ-BOUXLOLZSA-N 343.434 2.820 50 40 EFGB N#C/C(=C\c1cccc2[nH]nc(C(=O)O)c12)c1nnc2n1CCCCC2 585138760 VXVFGPCILVVOQQ-FMIVXFBMSA-N 348.366 2.643 50 40 EFGB CC(C)CCN1C(=O)/C(=N\NC(=O)c2ccco2)c2ccccc21 100707000 KDRVRABVBABRNR-MNDPQUGUSA-N 325.368 2.806 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)cc1O 566246 XMULTWJMZPOBCP-DJKKODMXSA-N 348.786 2.892 50 40 EFGB Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCOc3ccccc32)s1 108884704 HCEFSTBRILXADC-LBPRGKRZSA-N 345.424 2.567 50 40 EFGB O=C(Cc1ccccc1)N/N=C/c1ccc(OC2CSC2)cc1 408864281 YHLUUTBEQSWRLT-YBFXNURJSA-N 326.421 2.874 50 40 EFGB C/C(=N\NC(=O)NC1CCCC1)c1cccc(N2CCOC2=O)c1 96298113 HQNVVPBBMVYICT-XDHOZWIPSA-N 330.388 2.609 50 40 EFGB COc1ccc(NC(C)=O)cc1NC(=O)N1CCSSCC1 95982977 BOYMQQSCQATORX-UHFFFAOYSA-N 341.458 2.883 50 40 EFGB N#C/C(C(=O)NCc1ccccc1)=C1/C(=O)Nc2ccc(Cl)cc21 39555992 NXFJCBKSDQXOMP-PEZBUJJGSA-N 337.766 2.886 50 40 EFGB N#Cc1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 3112805 XOIGTXBTNXZPHQ-AERZKKPOSA-N 341.186 2.841 50 40 EFGB COc1ccc(/C=N/NC(=O)[C@H](C)Nc2ccccc2C)cc1OC 235005 PSUFYAANCVNREB-PVGUKEHMSA-N 341.411 2.963 50 40 EFGB N#Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1 1090823 MQSSLSPMWQALFY-GIJQJNRQSA-N 344.168 2.790 50 40 EFGB O=C1O[C@@H]2[C@H](I)[C@@H]3C[C@@H]2[C@H]1[C@@H]3c1ccccc1 104070023 HSYRRILDTLPLIV-HKLHZYFVSA-N 340.160 2.765 50 40 EFGB C[C@@H]1C=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3)[C@]2(C)CN1C 35366021 XDCMOLBWROZGKQ-HEFCMCLBSA-N 343.434 2.820 50 40 EFGB O=C(CNC(=O)c1ccccc1)N/N=C\c1cccc2ccccc12 5208620 NVUBTYIVGCBVDO-XKZIYDEJSA-N 331.375 2.720 50 40 EFGB O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1C[C@H]1c1ccccc1 5003646 LRTXVDOOYSSDOH-STQMWFEESA-N 342.311 2.750 50 40 EFGB N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)O)c1 108244928 GCFMMFTZZIKHGC-JYRVWZFOSA-N 337.291 2.839 50 40 EFGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccco1)c1ccccc1 408980517 RQGMOGOVWRMFTC-BRFSQIRFSA-N 329.356 2.607 50 40 EFGB CCO[Si](C[Si](OCC)(OCC)OCC)(OCC)OCC 195885635 NIINUVYELHEORX-UHFFFAOYSA-N 340.565 2.622 50 40 EFGB C/C(=N\NC(=O)CSc1nc2ccccc2o1)c1ccncc1 19861256 YCJPOUKFXNLHST-YBFXNURJSA-N 326.381 2.855 50 40 EFGB COc1ccc(CC(=O)N/N=C(\CCC(=O)O)c2ccccc2)cc1 5526915 REXPKPXNZNXRPO-LVZFUZTISA-N 340.379 2.623 50 40 EFGB NNC(=O)CCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 226345400 VEFBIZVHKGTVKK-UHFFFAOYSA-N 349.774 2.750 50 40 EFGB N#CC(NC(=O)c1ccccc1)=C(Br)Br 3124280 YFDTVCXXNNROKD-UHFFFAOYSA-N 329.979 2.899 50 40 EFGB N#C[C@H](NNC(=O)c1ccccc1O)c1c(O)ccc2ccccc12 1633727 ZGJPAGJTSAPEGX-HNNXBMFYSA-N 333.347 2.750 50 40 EFGB Cc1nccn1CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 553353 ZGFXAUQPRZGVEN-LPYMAVHISA-N 348.406 2.921 50 40 EFGB CCOC(=O)NNC(=O)c1sc(Cc2ccc(F)cc2)nc1C 84794428 UDGGFOVBNJZTLK-UHFFFAOYSA-N 337.376 2.572 50 40 EFGB Cc1ccc(-c2ccc(C3=NO[C@@H]4C(=O)OC(=O)[C@H]34)o2)cc1Cl 257173703 VHLUTZHAJGIRPP-OCCSQVGLSA-N 331.711 2.711 50 40 EFGB O=C(N/N=C/c1ccccc1)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 6222639 KJNICAGKIBWOJB-XDHOZWIPSA-N 349.350 2.604 50 40 EFGB COc1ccc(OCC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)cc1 4763911 PLANTZOFKNERBV-LDADJPATSA-N 343.339 2.523 50 40 EFGB O=C(CCc1ccccc1)NNC(=O)C12CC3CC(CC(C3)C1)C2 4996288 OHTIRPAQTNPAII-UHFFFAOYSA-N 326.440 2.983 50 40 EFGB COc1ccc(/C=N/NC(N)=O)cc1OCc1ccccc1Cl 478802 NBTOXWGREYNPNK-DJKKODMXSA-N 333.775 2.930 50 40 EFGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2Cl)c(C)c1 7386283 YHOBIGSMCSUHQX-UHFFFAOYSA-N 338.816 2.580 50 40 EFGB CCn1ncc(/C=N/NC(=O)c2ccccc2Br)c1F 252483584 FFOTXKMWBCGRGJ-FRKPEAEDSA-N 339.168 2.569 50 40 EFGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cccc(Cl)c2)n1 186669 QBHQEEMSINTHLU-CAOOACKPSA-N 334.832 2.989 50 40 EFGB C/C(CCc1ccccc1)=N\NC(=O)CC(=O)NC1CCCCC1 5479968 IIGZFHZVUIGWOF-RCCKNPSSSA-N 329.444 2.950 50 40 EFGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cccc(Cl)c1 59433935 NHRWMRFXLKJGHW-VXLYETTFSA-N 345.786 2.746 50 40 EFGB COc1ccc(-n2cccc2/C=N\NC(=O)c2ccccc2O)cc1 408952660 MCHAPJRXYTUPHT-MOSHPQCFSA-N 335.363 2.955 50 40 EFGB CCCc1n[nH]c2c1[C@@H](c1ccc(OC(C)=O)cc1)C(C#N)=C(N)O2 6493346 YIINQCOSOCOBSY-HNNXBMFYSA-N 338.367 2.506 50 40 EFGB CCC(=O)NNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 4680250 KETKJOJFUVYTDR-UHFFFAOYSA-N 339.395 2.689 50 40 EFGB N#C/C(=C\N1CCN(c2ccccc2)CC1)C(=O)Nc1ccccc1 32025481 GDUCLFXZZDFLDQ-WUKNDPDISA-N 332.407 2.855 50 40 EFGB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2/C(Cc1ccccc1)=N\NC(N)=O 100367450 PNTISAYRPWEGBH-PHJNYAGESA-N 327.428 2.895 50 40 EFGB O=C(NN=C1CCCCC1)C(=O)Nc1cccc(Br)c1 59515753 XSYODKJOYZXESJ-UHFFFAOYSA-N 338.205 2.824 50 40 EFGB O=C(NN=C1CCCCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 58885920 QFXNMLIGRXULMX-UHFFFAOYSA-N 332.360 2.750 50 40 EFGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC 408797634 SEUHOLBCOQXPGY-RVDMUPIBSA-N 348.358 2.958 50 40 EFGB CC(=O)C1=C(O)C(=O)N(CCBr)[C@H]1c1cccc(F)c1 4629539 WTIHNLXXNITLCW-LBPRGKRZSA-N 342.164 2.505 50 40 EFGB CCOc1ccccc1/C=N\NC(=O)c1ccc(OC)c(OC)c1 33361639 PZXFHWCEEFXPCL-UNOMPAQXSA-N 328.368 2.866 50 40 EFGB CCN(C(=O)CCl)C1CCN(C(=O)OCc2ccccc2)CC1 79392680 UZOIVUBMROMWEG-UHFFFAOYSA-N 338.835 2.875 50 40 EFGB C[Si](C)(C)N[C@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C 195788179 CTMXPIJTHHSEEF-LLVKDONJSA-N 349.652 2.926 50 40 EFGB COc1ccc(OC)c(/C=N/NC(=O)COc2c(C)cccc2C)c1 435164 VHUPZOGPCPYQRR-RGVLZGJSSA-N 342.395 2.850 50 40 EFGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(N)=S 107868265 GGQSIQJFVUPBPV-XFFZJAGNSA-N 326.337 2.975 50 40 EFGB O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1cc(-c2ccccc2)on1 103316797 RNPUSSBCPKCDJN-UBHSHLNASA-N 325.368 2.539 50 40 EFGB Cc1ccc(CC(=O)NNC(=O)c2cc3c(s2)CCCCC3)cn1 47817124 KPIRIYZRTLVLET-UHFFFAOYSA-N 343.452 2.724 50 40 EFGB CCN(CC)c1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1 3319165 OGVRCPRCMSHZGX-UHFFFAOYSA-N 325.412 2.537 50 40 EFGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408882552 QUADHSWJWLKOOV-RRYAKEIDSA-N 346.343 2.779 50 40 EFGB Cc1cc(C)c(OCC(=O)N/N=C/c2ccc3c(c2)OCO3)c(C)c1 349590 GNSXDQBHZHZWKY-AWQFTUOYSA-N 340.379 2.870 50 40 EFGB CCc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3o2)cc1 133158 ALFMVTXTCCSGBA-UHFFFAOYSA-N 338.363 2.835 50 40 EFGB COc1cccc(/C=N/NC(=O)c2cccc(Br)c2)c1O 252718 GBKZVXFLIXBZGN-RQZCQDPDSA-N 349.184 2.927 50 40 EFGB C=CCOc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1 7893488 NAMFZENKYJQRSS-LDADJPATSA-N 325.324 2.924 50 40 EFGB C[C@@]12CC3CC(C(=O)NNC(=O)c4ccncc4)(C1)C[C@@](C)(C3)C2 100328937 ZTSHSSNDOHFIHR-BHJVWRQASA-N 327.428 2.839 50 40 EFGB CC(C)[C@H](C(=O)NNc1ccccn1)[C@H](C)NC(=O)OC(C)(C)C 496626285 SZMNTWZWJIJUHE-JSGCOSHPSA-N 336.436 2.710 50 40 EFGB COCCn1c(C)cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c1C 8334269 JYPNZDXQVUKDEO-KOMLCTQHSA-N 338.411 2.509 50 40 EFGB O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccccc1Cl 63742 KSCBLBHBGSBALU-UHFFFAOYSA-N 339.178 2.833 50 40 EFGB Cc1cc(/C=C(\C#N)C(=O)NC(N)=O)c(C)n1-c1ccc(Cl)cc1 6961634 UVRKFSKWBXAAMQ-MDWZMJQESA-N 342.786 2.849 50 40 EFGB CCn1ncc(C)c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253402174 NZWLJTIVNBSSCT-AWEZNQCLSA-N 326.400 2.662 50 40 EFGB COc1ccccc1NC(=O)[C@H](Br)C(=O)C(F)(F)F 257197725 HLZBUAGHKCIIKD-MRVPVSSYSA-N 340.095 2.529 50 40 EFGB N#CC1=C[C@@H](Br)[C@]23C[C@]12[C@@H](Br)C=C3C#N 100012728 UIZAZOJTTAAYEA-LMLFDSFASA-N 325.991 2.817 50 40 EFGB Cc1c(/C=N\NC(=O)[C@H]2COc3ccccc3O2)c2ccccc2n1C 13584642 TUSBBMMXOROXIT-WVGJEZMVSA-N 349.390 2.777 50 40 EFGB COc1cc(Br)ccc1-c1ccc(/C=C/C(=O)NN)o1 57353762 FNDCNFMBOOUISM-QPJJXVBHSA-N 337.173 2.721 50 40 EFGB Cc1ccccc1OCCC(=O)NNC(=O)c1cccc(Cl)c1 3412446 BEDYTWDDTQXBLX-UHFFFAOYSA-N 332.787 2.879 50 40 EFGB C/C(=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(C)cc1 38206467 JZLMHUPBSHBERJ-BOPFTXTBSA-N 342.311 2.965 50 40 EFGB OC[C@H]1CO[C@](CBr)(c2ccc(Cl)cc2Cl)O1 34512082 KWVAKSFLLNZGBK-KWQFWETISA-N 342.016 2.949 50 40 EFGB in-vitro Cc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 525258 GUUUVBDUZHSXMM-BFNDQCEFSA-N 345.399 2.699 50 40 EFGB O=C(N/N=C(/Cc1ncc[nH]1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 33523945 PZUDRXMYVPPWNG-PGMHBOJBSA-N 349.350 2.695 50 40 EFGB O=C(CCC(=O)N/N=C1\CCCc2ccccc21)NCc1ccccc1 4550182 FOYFEVGPNWEEHN-FCDQGJHFSA-N 349.434 2.940 50 40 EFGB CCCc1n[nH]c2c1[C@H](c1ccc([N+](=O)[O-])s1)C(C#N)=C(N)O2 9122162 OPWHGQKFABUSPF-NSHDSACASA-N 331.357 2.550 50 40 EFGB O=C(CBr)C1CCN(C(=O)OCc2ccccc2)CC1 113305444 OSQAJYMKZQIYPK-UHFFFAOYSA-N 340.217 2.999 50 40 EFGB CCOc1cccc(NC(=O)/C(C#N)=C2\C(=O)Nc3ccccc32)c1 408744558 FYTBCRNAXNQHBQ-ICFOKQHNSA-N 333.347 2.953 50 40 EFGB Cc1ccc(S(=O)(=O)N=S(=O)(CCCl)CCCl)cc1 5575020 RBVNRDYHSXYHGE-UHFFFAOYSA-N 344.285 2.629 50 40 EFGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)C=C(C)C)c(OC)c1 1786096 QLFJJIVJHROEQN-XNTDXEJSSA-N 340.379 2.776 50 40 EFGB COc1cc(/C=N/NC(=O)C2[C@H]3CCCC[C@@H]23)cc(OC)c1OC 18179872 YTBVKQCZRNEDCW-TVRMINGZSA-N 332.400 2.599 50 40 EFGB O=S1(=O)c2ccccc2[C@H](Br)[C@H]1Br 1672901 WIBNBPJBXWIBAP-YUMQZZPRSA-N 326.009 2.631 50 40 EFGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(O)c(O)c1 408719384 DCPFPOYIXJURIR-NNLQFVHNSA-N 330.409 2.870 50 40 EFGB CC1(C)Oc2ccc(C(=O)N/N=C/c3ccc(F)cc3)cc2NC1=O 35291251 OTJFSWTYMWXQSZ-KEBDBYFISA-N 341.342 2.699 50 40 EFGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2C)c1 3082586 YBFQOKBBKVITDO-VXLYETTFSA-N 345.786 2.746 50 40 EFGB O=C(Cl)c1nnc2sc(-c3ccccc3Br)nn12 57332597 MYUZMQSIPZEMND-UHFFFAOYSA-N 343.593 2.994 50 40 EFGB CCOc1ccc(CC(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)cc1 408711910 QHFJTILHAMTPIN-PDGQHHTCSA-N 327.340 2.686 50 40 EFGB CCc1ccc(C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)nc1 359364 KVHSGRAICUXNMX-UFWORHAWSA-N 331.759 2.790 50 40 EFGB CCn1c(C)cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c1C 409063341 ABZHUUILGMRWER-ZDLGFXPLSA-N 344.371 2.562 50 40 EFGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)COc2ccccc2)c1 408860850 GQJQJFLSFMBQHJ-DEDYPNTBSA-N 325.368 2.564 50 40 EFGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)ccc1OC 409393188 VHSQKJVZHDRKSP-YBFXNURJSA-N 344.367 2.572 50 40 EFGB CNC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1 5729640 XOANYVSTNLAJQU-CXUHLZMHSA-N 336.347 2.617 50 40 EFGB COc1cccc(C(=O)N/N=C/c2cc(OC)c(OC)cc2C)c1 8300815 WYSDCDSRPVOUFU-YBFXNURJSA-N 328.368 2.785 50 40 EFGB CC1=CC(=O)[C@@H](Cl)[C@@H](Cl)/C1=N/S(=O)(=O)c1ccccc1 104052233 GIZIGXWXHHNROK-ZFHNCLSMSA-N 332.208 2.560 50 40 EFGB COc1ccc(N/C(N)=C(C#N)/C=C2\Nc3ccccc3C2=O)cc1 13551924 CMVGMJNOEPJWPI-ARNIENKQSA-N 332.363 2.993 50 40 EFGB Cc1cc(C(=O)N/N=C/c2cccc(OC(=O)c3ccccc3)c2)[nH]n1 4613401 UBWAXROBWBJMDE-UDWIEESQSA-N 348.362 2.701 50 40 EFGB O=C(N/N=C/c1cc(Br)cs1)[C@@H](O)c1ccccc1 34052 XXIOLIZYBNVTBX-QNKXHIPISA-N 339.214 2.694 50 40 EFGB COC(=O)[C@@]1(C(F)(F)F)C=C(C)N(c2ccccc2)C(N)=C1C#N 3103028 UJXYFWQFJXIWNL-OAHLLOKOSA-N 337.301 2.826 50 40 EFGB Cc1ccc(C(=O)NNC(=O)COc2ccccc2C(C)C)cc1 511417 WCKHBCNORZIDQA-UHFFFAOYSA-N 326.396 2.958 50 40 EFGB CCCn1c(C)cc(/C=C(\C#N)C(=O)/N=c2/sccn2C)c1C 104999699 DAFOVXPLZARTRU-RDNNIZOPSA-N 328.441 2.949 50 40 EFGB COc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1[N+](=O)[O-] 262604 XLSVOMAXWSPVQT-UKTHLTGXSA-N 329.356 2.959 50 40 EFGB C/C(N)=C(\C#N)C(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 103112546 JFBRHXWAAWOOPA-JXAWBTAJSA-N 334.375 2.765 50 40 EFGB Cc1ncsc1C(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 104636895 ZVSJHYUIXJMAHH-GHMZBOCLSA-N 335.816 2.670 50 40 EFGB COc1ccc(CCCC(=O)N/N=C/c2ccc(O)cc2O)c(C)c1 408913236 SFOIRPHAUUJLTH-UDWIEESQSA-N 342.395 2.888 50 40 EFGB CCOc1cc2c(cc1/C=N\NC(=O)c1ccc(F)cc1)OCO2 409096071 CHKNRDKSUKXMNZ-OCKHKDLRSA-N 330.315 2.717 50 40 EFGB C[C@@H](Oc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1)C(=O)O 32189253 NDVFHVHQMUZBJG-WDGDVPDHSA-N 342.395 2.894 50 40 EFGB CCOC(=O)/C(C#N)=C1\CCCC[C@@H]1/C(SC)=C(/C#N)C(=O)OC 35193613 GWAULRFDRXGSJK-QSEAVHLOSA-N 348.424 2.874 50 40 EFGB COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1O 7889956 BZFULXHCOYPCTJ-DEDYPNTBSA-N 335.363 2.955 50 40 EFGB Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(OCC(N)=O)cc2)c1 409214920 VFZDCFCYKPHFJQ-YBEGLDIGSA-N 349.390 2.713 50 40 EFGB COC(=O)CSC1=C(C#N)[C@@H](c2ccc(SC)cc2)CC(=O)N1 6440824 WNUDYBSQAFXDIY-GFCCVEGCSA-N 348.449 2.653 50 40 EFGB COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 341384 QMGKPSZUERJCKZ-UHFFFAOYSA-N 333.296 2.840 50 40 EFGB N#CC1=C(N)N(c2ccc(Cl)cc2Cl)C(Cl)=C(C#N)[C@@H]1O 494806 ZYXAUDKRXXBBOA-NSHDSACASA-N 341.585 2.842 50 40 EFGB CC(C)(C)c1ccc(/C=N/NC(=O)c2cc(O)c(O)c(O)c2)cc1 2753219 LOTCVOZPJJIDLC-VXLYETTFSA-N 328.368 2.865 50 40 EFGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1 408812320 OMOCKCTURPNELX-NRUITVPNSA-N 334.803 2.941 50 40 EFGB Cc1cccc(O[C@H](C)C(=O)N/N=C\c2ccc3c(c2)OCO3)c1 32109250 PQFYZDDWOCBJBU-XTBHVRTMSA-N 326.352 2.641 50 40 EFGB N#CC(C(=O)COc1ncnc2sccc12)=C1Nc2ccccc2N1 3361412 TZLRBZDGZFRJEI-UHFFFAOYSA-N 349.375 2.912 50 40 EFGB CC(C)/N=C1\S[C@@H]2CS(=O)(=O)[C@@H](Br)[C@]2(C)S1 12173822 LGLVMTROHNJGDS-SLOZEZAWSA-N 344.321 2.508 50 40 EFGB CO[C@@H](C(=O)N/N=C(\C)CC(=O)Nc1ccccc1)c1ccccc1 105441388 KYAJSDKKFPOZJK-ALDSOSFCSA-N 339.395 2.895 50 40 EFGB CN(C)c1nc(N)nc(/C(C#N)=C/c2cccc(C(F)(F)F)c2)n1 11335574 GWYKJVJRVWGLHV-UXBLZVDNSA-N 334.305 2.603 50 40 EFGB Cc1cc(OCC(=O)NNC(=O)c2cccc(O)c2)cc(C)c1Cl 319059 URYRUXDXHQFAFF-UHFFFAOYSA-N 348.786 2.502 50 40 EFGB Cc1cccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)c1C 565505 OMFPDDGENQGMKV-LZYBPNLTSA-N 333.369 2.802 50 40 EFGB Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)c1ccoc1 12998355 NIIUWLXKFOBENV-UHFFFAOYSA-N 336.775 2.862 50 40 EFGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc2c(cc1Cl)OCO2 4674957 OFKWFLOSCXJSRH-OAHLLOKOSA-N 344.754 2.883 50 40 EFGB CCOC(=O)/C(C#N)=C\c1cc(Br)c(O)c(OC)c1 5665624 WNFFBWIYNFSLJI-WTKPLQERSA-N 326.146 2.633 50 40 EFGB CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)cc1 18266057 OIYAOUGEVHLNND-AWEZNQCLSA-N 325.393 2.623 50 40 EFGB C=CCc1cc(/C=N\NC(=O)c2ccc(OC)cc2)cc(OC)c1O 409199466 CYKHYADCQCJKEC-NDENLUEZSA-N 340.379 2.902 50 40 EFGB CC(C)Oc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(O)c1 408592493 YPYPTYASZHPKFB-VCHYOVAHSA-N 343.339 2.852 50 40 EFGB O=C(N/N=C\c1ccc(O)cc1)C(O)(c1ccccc1)c1ccccc1 96577883 GNVNXZHZTNARFZ-JCMHNJIXSA-N 346.386 2.778 50 40 EFGB CC(C)[C@@H](C(=O)NNc1ccccn1)[C@@H](C)NC(=O)OC(C)(C)C 496626289 SZMNTWZWJIJUHE-TZMCWYRMSA-N 336.436 2.710 50 40 EFGB CC(C)(C)c1ccc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)cc1 5008399 MLAMCXTVNYZYKO-UVTDQMKNSA-N 335.411 2.691 50 40 EFGB Cc1ccccc1SCC(=O)NNC(=S)NCc1ccccc1 15873367 LJYHKOVHWBKOIA-UHFFFAOYSA-N 345.493 2.783 50 40 EFGB COc1cc([C@@H]2Nc3nc4ccccc4n3C(N)=C2C#N)ccc1O 20086205 HUMSEQTYTAPZDK-INIZCTEOSA-N 333.351 2.568 50 40 EFGB CO[C@@H](C(=O)N/N=C(\C)c1cccc(NC(C)=O)c1)c1ccccc1 4714641 UQINCLPDGJFHHG-KOMLCTQHSA-N 339.395 2.873 50 40 EFGB O=C(/C=C/c1ccco1)NNC(=O)COc1cccc2ccccc12 1794849 JWQDVFAYPGZDPT-ZHACJKMWSA-N 336.347 2.672 50 40 EFGB CCOC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OC)cc2)cc1 3101257 NJOKQQRCHQETEZ-XDHOZWIPSA-N 342.351 2.994 50 40 EFGB COc1ccc(-c2ccc(/C=C/C(=O)NN)o2)c(Br)c1 57353781 CAQVSMMGBFTPAE-QPJJXVBHSA-N 337.173 2.721 50 40 EFGB O=C(Cn1ccc(C(F)(F)F)n1)N/N=C/c1c[nH]c2ccccc12 3576842 VAOZNTIIHMSVSJ-DNTJNYDQSA-N 335.289 2.534 50 40 EFGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(C)cc3)ccc21 7988209 WYTAJVZRDYDNPL-UHFFFAOYSA-N 336.395 2.748 50 40 EFGB Cc1ccccc1N[C@@H]1SC(=O)N(CCBr)C1=O 36626553 GGLZBFUSSLJWPP-SNVBAGLBSA-N 329.219 2.823 50 40 EFGB COc1cc(/C=C\C(=O)c2sc(NNC(C)=O)nc2C)ccc1O 5808957 MKNQSOYFHIMOAT-ALCCZGGFSA-N 347.396 2.525 50 40 EFGB COc1ccccc1/C=N/NC(=O)CCC(=O)Nc1ccc(F)cc1 3101390 UAKHVLALWIXMNZ-UDWIEESQSA-N 343.358 2.703 50 40 EFGB COc1cccc(/C=N/NC(=O)[C@@H](C)Sc2ccccn2)c1OC 188514 XFVMPWDNBGMAAU-ZGXHQARYSA-N 345.424 2.730 50 40 EFGB N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)NCc1ccco1 21189898 WHGYETINELFIIT-IZZDOVSWSA-N 347.168 2.971 50 40 EFGB CCOc1ccccc1OCC(=O)NNC(=O)CCC1CCCCC1 12868382 WPRKDVCTBXTUAS-UHFFFAOYSA-N 348.443 2.972 50 40 EFGB CCOC(=O)Cn1cc(/C=N/NC(=O)c2ccco2)c2ccccc21 409368685 HWLXVEQLQRPQJA-VXLYETTFSA-N 339.351 2.561 50 40 EFGB O=C(N/N=C/c1c(F)cccc1Cl)C(=O)NC1CCCCCC1 409004486 DEJQNBZAXWIEFH-VXLYETTFSA-N 339.798 2.768 50 40 EFGB C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C#N 77872489 SWAJIWWXRRYRDI-OWLVHUDESA-N 329.440 2.744 50 40 EFGB COC(=O)CCCc1ccc(N(CCCl)CCOC(C)=O)cc1 1708242 GKXDCSZQIBHDJY-UHFFFAOYSA-N 341.835 2.791 50 40 EFGB COc1ccc(C(=O)N/N=C(/C)c2nc3ccccc3[nH]2)cc1OC 103762469 PNESVJJJDRKHPX-NHDPSOOVSA-N 338.367 2.734 50 40 EFGB CCOc1ccc(OCc2ccc(C(=O)NNC(=O)CC)cc2)cc1 12814377 DWCBJCALMXDFHE-UHFFFAOYSA-N 342.395 2.835 50 40 EFGB Cc1cc(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)c(C)o1 8346435 QXDKDNLGCPGPDI-UHFFFAOYSA-N 326.274 2.990 50 40 EFGB COc1ccc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c(OC(C)C)c1 78874269 JGTLNYJKFOBPAO-KAKTVLCNSA-N 344.411 2.685 50 40 EFGB CCc1n[nH]c2c1[C@@H](c1ccc(OC(F)F)cc1)C(C#N)=C(N)O2 32511678 XXKNXLMHHSFQQR-LBPRGKRZSA-N 332.310 2.792 50 40 EFGB CC(C)(C)[C@@H](Br)C(=O)NCCC(=O)Nc1ccccc1 8733005 VBZRDBFSWNORJK-ZDUSSCGKSA-N 341.249 2.941 50 40 EFGB Cc1ccc([C@H](NC(=O)N2CCN(C)CC2)C(Cl)Cl)cc1F 59830130 HTRVCWYXHHFIIF-ZDUSSCGKSA-N 348.249 2.936 50 40 EFGB CCOC(=O)[C@@H](Br)[C@@H](C(=O)OCC)c1ccc(C)cc1 3671610 MNVZOGWIMOUWDL-STQMWFEESA-N 343.217 2.968 50 40 EFGB COc1ccc(-n2cccc2/C=N\NC(=O)c2cccc(O)c2)cc1 33328991 JHEKZJNSXNLGGY-MOSHPQCFSA-N 335.363 2.955 50 40 EFGB NNC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1Cl 226319483 GCSBIKGKNQTXNZ-UHFFFAOYSA-N 339.710 2.570 50 40 EFGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OC)c1O 561570 GEHBEZJZXZPOPH-KPKJPENVSA-N 340.335 2.661 50 40 EFGB CCOc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 3147576 TYGHDIYJGAGCOL-LDADJPATSA-N 327.340 2.686 50 40 EFGB CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1 3008796 ABNMBNHVMZXNQT-YBFXNURJSA-N 345.786 2.828 50 40 EFGB O=C(OC(=O)[C@@](F)(Cl)C(F)(F)F)[C@](F)(Cl)C(F)(F)F 167907145 LISASEROUGWAKR-ZXZARUISSA-N 342.953 2.990 50 40 EFGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1cccnc1 61891 RNPPIUHNBGNDMZ-RGVLZGJSSA-N 339.786 2.993 50 40 EFGB O=C1C[C@]2(C[C@H](Cl)N=N2)C(=O)N1c1cccc(Br)c1 4698141 IEXNVYZQRHBDQT-BXKDBHETSA-N 342.580 2.872 50 40 EFGB COc1ccccc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 4852613 AICQZUYEBKKMOW-UHFFFAOYSA-N 328.412 2.673 50 40 EFGB CC1(C)CC(=O)[C@H](C(=O)/C=C/c2ccco2)C(=O)[C@H]1Br 104832375 UMCMRJQFKGPVLH-UGAQRHAQSA-N 339.185 2.810 50 40 EFGB O=C(N/N=C/c1ccccc1C(=O)O)c1ccccc1Br 3287488 RPLVSSRSRVNDNU-RQZCQDPDSA-N 347.168 2.911 50 40 EFGB COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccsn2)c1C 1583218448 WEFUEHGJACJCKZ-NTEUORMPSA-N 330.413 2.754 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2C)cc1OC 6189762 FKORYJXYDWYNCA-RGVLZGJSSA-N 342.395 2.850 50 40 EFGB CCOC(=O)/C(C#N)=C1\CCC[C@H]1/C(SC)=C(/C#N)C(=O)OCC 16681987 IAHVMKQZNRJCRQ-KFOGPJSXSA-N 348.424 2.874 50 40 EFGB Cc1ccc(OCC(=O)N/N=C/c2c[nH]nc2-c2ccccc2)cc1 5322558 QWAOQKVGZCIQGE-RGVLZGJSSA-N 334.379 2.914 50 40 EFGB O=C(N/N=C/c1cc(Br)cs1)c1ccccc1O 2685005 GWOCPOQHYCGGFA-MKMNVTDBSA-N 325.187 2.980 50 40 EFGB Cc1cc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c(C)s1 24177995 PZKVUGROIJWBEU-UHFFFAOYSA-N 327.409 2.850 50 40 EFGB CCOc1cc(/C=N\NC(=O)c2c(C)nc3sccn23)ccc1O 59515856 IRAPCCQBLQODSG-MFOYZWKCSA-N 344.396 2.572 50 40 EFGB Cc1c(/C=N/NC(=O)c2cccnc2)c(Cl)nn1-c1ccccc1 408891719 CABMOSMOCOZQFD-RGVLZGJSSA-N 339.786 2.993 50 40 EFGB O=C(N/N=C/c1ccc(Br)cc1)c1ccc2c(c1)OCO2 3474777 SKQZXBJKJCRUGO-CAOOACKPSA-N 347.168 2.942 50 40 EFGB CCOc1cccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)c1 8811080 BMBBILVMMNOIPE-XDHOZWIPSA-N 328.368 2.866 50 40 EFGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1CCN(C)CC1 55048459 KDHXCBDMZGXVRK-JTQLQIEISA-N 344.242 2.959 50 40 EFGB O=C(NC1=NN(c2ccccc2)C(=O)C1)[C@H](Cl)c1ccccc1 6575700 VNNUKGVFOAAURY-MRXNPFEDSA-N 327.771 2.833 50 40 EFGB Cc1occc1C(=O)NNC(=O)c1c(C)oc(C)c1Br 71802742 IJJRDLAXYQZHGK-UHFFFAOYSA-N 341.161 2.635 50 40 EFGB COc1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)c(C)c1 582946 AZRVHMZOUXAOQL-YBFXNURJSA-N 325.368 2.726 50 40 EFGB N#CC1=CC=C(C2=S=CC=C2)N2C(=O)C(c3ccccc3)=S=C12 1554502606 TZRDDEGHAKUDAF-UHFFFAOYSA-N 334.425 2.537 50 40 EFGB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)NNC(=O)c1cccs1 45114613 VCGGBJJYBPLUSQ-JTQLQIEISA-N 348.384 2.704 50 40 EFGB C#CCOc1ccc(/C=N/NC(=O)COc2c(C)cccc2C)cc1 408910406 IEDROWRSFSSJLP-FYJGNVAPSA-N 336.391 2.845 50 40 EFGB CCOc1cc2c(cc1/C=N\NC(=O)c1ccc(OC)cc1)OCO2 409107400 RPACTFRJPLWPQI-GRSHGNNSSA-N 342.351 2.587 50 40 EFGB N#C/C(=C\c1ccc(Cl)cc1Cl)c1nn(CCO)c(N)c1C#N 5008400 QYYZWZLPWQVTRT-BJMVGYQFSA-N 348.193 2.700 50 40 EFGB COc1cccc([C@H]2C(C#N)=C(N)Nc3nc4ccccc4n32)c1OC 18199698 YDMLTQPIDMOFDS-INIZCTEOSA-N 347.378 2.762 50 40 EFGB COc1cc(/C=N/NC(=O)c2ccccc2)c(Br)cc1O 23157252 WTBVYCYOFJAULX-RQZCQDPDSA-N 349.184 2.927 50 40 EFGB O=C(NCc1cccc(C(F)(F)F)c1)NNC(=O)c1ccccc1 12973254 JSGNXMOVHQVENJ-UHFFFAOYSA-N 337.301 2.850 50 40 EFGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(C)cc1 408608071 VBFUJJBVOBRYFG-AWEZNQCLSA-N 340.408 2.553 50 40 EFGB CC(C)n1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)n1 253403259 PRQDQVZGEYTLLY-HNNXBMFYSA-N 326.400 2.915 50 40 EFGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC 583782 WFOFBWCRDDBPEB-VCHYOVAHSA-N 343.339 2.684 50 40 EFGB C/C(=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1 5002725 ATIVGOUFQXOMKD-MFOYZWKCSA-N 346.274 2.796 50 40 EFGB C/C(=N\NC(=O)C1CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 46094658 PELRLCBKZSPRPE-LDADJPATSA-N 334.441 2.653 50 40 EFGB CCOc1ccc(-c2cc(C(=O)NN)nn2-c2ccc(C)cc2)cc1 59472530 UHBGNUVJIJNANC-UHFFFAOYSA-N 336.395 2.850 50 40 EFGB COc1ccc(OCC(=O)N/N=C2\C(O)=Nc3c(C)cccc32)cc1 6684593 GWXNFFVTLSWXOT-UHFFFAOYSA-N 339.351 2.505 50 40 EFGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(Cl)c2)cc1C 409156249 RLLPSIQJHATUJH-DJKKODMXSA-N 345.786 2.751 50 40 EFGB C=CCOc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 408737810 XVQBYMRFCPNZRI-CPNJWEJPSA-N 339.351 2.852 50 40 EFGB O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)NNc1ccccn1 69115068 CIBULAUNHMKSEB-LBPRGKRZSA-N 347.369 2.512 50 40 EFGB N#C/C(=C/N1CCN(c2ccccc2)CC1)C(=O)NCc1ccccc1 32021062 PDCVLIXMHMSZSD-ZPHPHTNESA-N 346.434 2.532 50 40 EFGB C/C(=N\NC(=O)c1cccc(C)c1)c1ccc(N2CCOCC2)cc1 372971 HVIQQFLSMCRBEQ-LTGZKZEYSA-N 337.423 2.986 50 40 EFGB O=C(N/N=C/c1ccc(Cl)o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 67350940 CKQNTXOSGMNPNG-MKMNVTDBSA-N 338.663 2.513 50 40 EFGB BrCCn1cnc2c(NCc3ccccc3)ncnc21 16480191 CLQWKPZLSUWUDR-UHFFFAOYSA-N 332.205 2.833 50 40 EFGB O=C(N/N=C/c1ccc(O)cc1O)NC12CC3CC(CC(C3)C1)C2 4871963 SSLWUPTVSNXTNB-VXLYETTFSA-N 329.400 2.700 50 40 EFGB O=C(Cc1ccccc1)N/N=C/c1cccc(OC2CSC2)c1 408859841 UEGITPWFBMLTLW-YBFXNURJSA-N 326.421 2.874 50 40 EFGB O=C(CNc1ccc(Br)cc1)N/N=C/c1cccc(O)c1 580646 RHKFPXCRKKKENV-GIJQJNRQSA-N 348.200 2.717 50 40 EFGB CCN(NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1 11355123 KNSMLPKXKHYQBG-UHFFFAOYSA-N 332.425 2.570 50 40 EFGB Cc1cc(OCC(=O)NNC(=O)c2ccccc2O)cc(C)c1Cl 319056 XLNQGMZNWCGKPL-UHFFFAOYSA-N 348.786 2.502 50 40 EFGB COc1ccc(/C=C/C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 510589 CVLANGAHMHDJLK-NYYWCZLTSA-N 330.771 2.823 50 40 EFGB Cc1cc(C)n(-c2nc(C(=O)N/N=C/c3ccccc3)cs2)n1 1415717 KGIDZJFXEMPEDO-RQZCQDPDSA-N 325.397 2.710 50 40 EFGB COc1ccc(-n2nc(C(=O)NN)cc2-c2ccc(C)cc2C)cc1 59472489 SIKZTDGDKUFCOU-UHFFFAOYSA-N 336.395 2.768 50 40 EFGB CCn1c(C)cc2c(c1=O)[C@H](c1cccc(F)c1)C(C#N)=C(N)O2 2340028 XHRAAUIPOLDJIS-OAHLLOKOSA-N 325.343 2.534 50 40 EFGB Cc1ccc(OCC(=O)N/N=C\c2c(C)cc(O)cc2O)c(C)c1 4579454 QSILMZDLAGMISH-OCKHKDLRSA-N 328.368 2.552 50 40 EFGB O=C(N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(F)cc1 4784592 YCEDGBMAQVJLRG-IDUWFGFVSA-N 337.694 2.857 50 40 EFGB COc1ccc(/C(C#N)=C/c2ccccc2OCC(N)=O)cc1OC 408580159 ARECXQCIWVDDKA-OQLLNIDSSA-N 338.363 2.632 50 40 EFGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(I)o1 408814899 SMWJUUBPWVJZBF-GTUWVTDSSA-N 344.152 2.706 50 40 EFGB CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccccc2F)c1O 36712364 ATMVULPOERCOFS-GIJQJNRQSA-N 347.302 2.602 50 40 EFGB Cc1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)cc1[N+](=O)[O-] 487180 SBEHDFJDVKBCSV-DJKKODMXSA-N 330.319 2.605 50 40 EFGB Cc1n[nH]c2c1[C@H](c1c(F)c(F)c(F)c(F)c1F)C(C#N)=C(N)O2 4095178 IIJVIXAPMAVAEE-ZCFIWIBFSA-N 342.227 2.632 50 40 EFGB Cc1ccc(Cc2nnc(NNC(=O)c3ccc(C)cc3)nc2O)cc1 22853973 OGUAEXUBYVVRNW-UHFFFAOYSA-N 349.394 2.542 50 40 EFGB CCOc1cc2c(cc1/C=N\NC(=O)c1ccccc1OC)OCO2 409099848 LYTQACGGVUXITR-GRSHGNNSSA-N 342.351 2.587 50 40 EFGB CC(=O)N/N=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12 409009060 STOLZUZBXUTYKQ-RGVLZGJSSA-N 334.379 2.750 50 40 EFGB CCCCC[C@@H](C)CNC(=S)NNC(=O)c1n[nH]c2ccccc12 7810480 PCCDXACXVGSKCI-GFCCVEGCSA-N 347.488 2.888 50 40 EFGB Cc1[nH]nc(C(=O)N/N=C\c2ccccc2Cl)c1/N=N\N(C)C 4962566 XCBMEIMBCIKJPR-ITWSTJDGSA-N 333.783 2.696 50 40 EFGB COc1ccc(/C=C/C(=O)N/N=C/c2cccc(OC)c2O)cc1 1098693 PFMCQHBHKPWLBT-GGNBMFIYSA-N 326.352 2.573 50 40 EFGB CC(=O)N/N=C/c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12 409009307 DBJBSEGZPSCUBZ-KEBDBYFISA-N 335.363 2.858 50 40 EFGB CCOc1cccc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)c1 409319147 AZKSSZSAAADNQS-UNOMPAQXSA-N 328.368 2.866 50 40 EFGB CCN(C(=O)OCc1ccccc1)[C@@H]1CCCN(C(=O)CCl)C1 79411927 KKVIMCATPDQPDU-OAHLLOKOSA-N 338.835 2.875 50 40 EFGB COc1cc(Cl)cc(/C=N\NC(=O)c2ccc3c(c2)OCO3)c1O 13601574 RYOLLVLXNYCIPC-WSVATBPTSA-N 348.742 2.547 50 40 EFGB COc1cccc(C(=O)/C=C/NNC(=O)c2ccc(Cl)cc2)c1 5514639 XLUPQQYCPVDOMA-MDZDMXLPSA-N 330.771 2.980 50 40 EFGB C/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 4571412 WJGZWDKZUASGMF-LDADJPATSA-N 326.356 2.815 50 40 EFGB COc1ccccc1/C=N/NC(=O)c1cc(Br)ccc1O 59642 LTEQMEPNMMETOE-RQZCQDPDSA-N 349.184 2.927 50 40 EFGB COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1 2697914 MPNRCTZACIILLZ-OAHLLOKOSA-N 348.786 2.611 50 40 EFGB CN(C)c1ccc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)cc1 58887109 TYBZTDCBLJHWEV-SQVRNEIYSA-N 325.412 2.717 50 40 EFGB CCn1cc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)n1 2758557 BDJZAFHGXFNFFT-RHSMWYFYSA-N 332.411 2.805 50 40 EFGB CC1(C)[C@@H](C(=O)NNc2ncnc3ccccc23)CC[C@@]1(C)C(=O)O 6086113 JJYRYAFWRMDCDW-XIKOKIGWSA-N 342.399 2.600 50 40 EFGB Cc1cccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)n1 5619983 CKRCACNXSPREBG-PTXOJBNSSA-N 331.191 2.673 50 40 EFGB CCOc1cccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 408590683 QEFLTXGTHRQHKL-LDADJPATSA-N 327.340 2.686 50 40 EFGB COC(=O)N/N=C(\C)c1cccc(OCc2cn3ccccc3n2)c1 43911453 XYZFPQKHNJSTMV-DEDYPNTBSA-N 338.367 2.993 50 40 EFGB NNC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl 36724683 RKEZSHSUQGIUMD-UHFFFAOYSA-N 346.843 2.820 50 40 EFGB Cc1ccc2[nH]c(=O)c([C@H]3C(C#N)=C(N)Oc4cc(O)ccc43)cc2c1 421237 JPNUBMIXLOMWGM-SFHVURJKSA-N 345.358 2.760 50 40 EFGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(C)cc1 59516279 ZYXVAHRJOMDXRP-VXLYETTFSA-N 345.786 2.746 50 40 EFGB N#CC(C(=O)COC(=O)/C=C/c1ccco1)=C1Nc2ccccc2N1 3282205 BVVNFTNQXCBVNT-BQYQJAHWSA-N 335.319 2.678 50 40 EFGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(O)cc1 408719675 JPNKSAXBHVLTIP-RQZCQDPDSA-N 345.380 2.684 50 40 EFGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OC)c(O)c2)cc1 4505436 QIVKKRRPSAQNGN-YBFXNURJSA-N 341.367 2.513 50 40 EFGB COc1cc(C(=O)N/N=C(\C)c2ccccc2O)cc(OC)c1OC 4656683 DSNBIYRZLWYLOG-YBFXNURJSA-N 344.367 2.572 50 40 EFGB O=C(CCc1ccccc1)NNC(=O)COc1ccc2ccccc2c1 4713810 FPGBXQIUVAEZBI-UHFFFAOYSA-N 348.402 2.999 50 40 EFGB COc1ccc(C(=O)N/N=C/c2ccc(OC3CSC3)cc2)cc1 408719555 VAHUZYXQUCEDDF-VXLYETTFSA-N 342.420 2.953 50 40 EFGB C[C@]12CC[C@@]3(O)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C#N 70665295 UHCRRDZEBITSMZ-MPRNQXESSA-N 329.440 2.888 50 40 EFGB biogenic O=S1(=O)c2ccccc2[C@H](N2CCCCC2)[C@H]1Br 90470062 XWSDTNCPIPMWKN-STQMWFEESA-N 330.247 2.722 50 40 EFGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1 252479588 BICRGRLXXQKWRT-UBKPWBPPSA-N 329.162 2.938 50 40 EFGB O=C(COc1cccc(Cl)c1)N/N=C/c1cccc([N+](=O)[O-])c1 137779 BUABKTPCGXRWFD-RQZCQDPDSA-N 333.731 2.777 50 40 EFGB C=CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)NNc1ccccc1 1593818 XCMCEIKRCBGVGS-KRWDZBQOSA-N 339.395 2.653 50 40 EFGB CCCCC[C@H](O)CCC(=O)NNC(=S)NC1CCCCC1 4828723 MFSKKMUMJKXBIS-AWEZNQCLSA-N 329.510 2.536 50 40 EFGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Cl)c1cccc([N+](=O)[O-])c1 33346786 CQTMBZWUSFCBLN-PXNMLYILSA-N 348.702 2.920 50 40 EFGB C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccc(F)s1 252491665 LPYAQBYOKVVQLX-PTPOTIKZSA-N 337.332 2.713 50 40 EFGB CCOC(=O)C1=C(C)NC(C)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 34053173 ROMRVBIQTWDKIJ-MRXNPFEDSA-N 327.340 2.916 50 40 EFGB biogenic O=C(CSc1nc2ccccc2o1)N/N=C/c1ccccc1O 58648 UPEJEEATILALTP-RQZCQDPDSA-N 327.365 2.776 50 40 EFGB COCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C 4994045 BUWPVZJZLNDLPA-LFIBNONCSA-N 341.386 2.903 50 40 EFGB CCN(CC)c1ccc(/C=N/NC(=O)Cc2cccs2)c(O)c1 73143 MYYKONKSMIJGBU-LDADJPATSA-N 331.441 2.993 50 40 EFGB CCOc1cccc(/C=N\NC(=O)COc2ccc(C)cc2C)c1O 30843542 GCHKJZPKXLWSCA-JAIQZWGSSA-N 342.395 2.937 50 40 EFGB Cc1ccc2[nH]c(=O)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 421467 SIMXMLMQLFTLFZ-QGZVFWFLSA-N 347.374 2.651 50 40 EFGB CC1(C)[C@@H](O)[C@]2(Br)CC[C@]1(CC#N)[C@@H]2Br 103708710 SNSPGLYSSKESNT-OEIWMXHLSA-N 337.055 2.978 50 40 EFGB COc1ccccc1-c1nc(C(=O)NNC(=O)C2CCCC2)cs1 58677865 HHPWGOGXWOCYBZ-UHFFFAOYSA-N 345.424 2.770 50 40 EFGB COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C#N)cc1 5577403 NORKFXKSVLBFSI-UHFFFAOYSA-N 344.330 2.926 50 40 EFGB Cc1ccc(N2C[C@H](C(=O)N/N=C/c3cccs3)CC2=O)cc1C 409154062 JQKGEEFXPHXCCW-LEBHLANCSA-N 341.436 2.868 50 40 EFGB Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccccc3)CC2=O)cc1C 409153150 HIERUNCEHCOMKN-RHLNUJDMSA-N 335.407 2.807 50 40 EFGB O=C(COc1ccc2ccccc2c1)NNC(=O)C1CCCCC1 320301 JWDOSGORFOULTF-UHFFFAOYSA-N 326.396 2.946 50 40 EFGB CC(C)c1ccsc1C(=O)NNC(=O)c1ccc2c(c1)OCCO2 53007351 WNGCSSFRXRPSHT-UHFFFAOYSA-N 346.408 2.718 50 40 EFGB C[C@]12CC[C@@]3(O)[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C#N 70665294 UHCRRDZEBITSMZ-XVMXLUHGSA-N 329.440 2.888 50 40 EFGB biogenic COc1cc2c(cc1/C=C(\C#N)C(=O)NC1CCCC1)O[C@@H](C)C2 14178602 NVPMCWBVECQWQN-AAWHYMEISA-N 326.396 2.984 50 40 EFGB Cn1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2O)c2ccccc21 409086279 UZQTXDCZRHXGII-GIJQJNRQSA-N 338.323 2.556 50 40 EFGB Cn1nccc1CC(=O)N1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1 585125589 XXIQKTCLVBLMSC-HNNXBMFYSA-N 337.540 2.975 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)COc2ccccc2OC)cc1 5494583 ZOXTUNSTFYXQGV-CPNJWEJPSA-N 328.368 2.623 50 40 EFGB O=C(N/N=C/c1cccc(Br)c1)c1ccc2c(c1)OCO2 5568430 FUJZRXZFUONVKX-CAOOACKPSA-N 347.168 2.942 50 40 EFGB C[C@H](NC(=O)C(=O)N/N=C/c1cccc(Cl)c1)c1ccccc1 59505953 JFAHRNPLDMKPEA-MKFNJMOCSA-N 329.787 2.668 50 40 EFGB CCOc1c(Cl)cc(C(=O)NNC(=O)OC(C)(C)C)cc1OC 7000076 FFZJKNFMUPQLPF-UHFFFAOYSA-N 344.795 2.917 50 40 EFGB Cc1cccc(C(=O)NNC2=CC(=O)C[C@@H](c3ccco3)C2)c1O 408751523 SRZRSYGQZVTYNQ-LBPRGKRZSA-N 326.352 2.559 50 40 EFGB Cc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1Br 409369487 BZKRMZXLNCILCY-ZNBBLSJYSA-N 347.212 2.941 50 40 EFGB C[C@H](Oc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1)C(=O)O 39557331 XULKJKDTBUOODN-VSMYLPJWSA-N 346.770 2.956 50 40 EFGB O=C(N/N=C/c1ccco1)C(=O)Nc1ccc(Cl)c(Cl)c1 2155879 GKPYUFUYAQKZRR-FRKPEAEDSA-N 326.139 2.675 50 40 EFGB CCC(/C=N/NC(=O)CCN1CCN(c2ccccc2)CC1)CC 6369394 KHRCJXVMAUZLNF-CAPFRKAQSA-N 330.476 2.737 50 40 EFGB CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)CCl)CC1 75449 YKUIPVVDRBVNSR-UHFFFAOYSA-N 335.757 2.635 50 40 EFGB N#C[C@@H](NNC(=O)c1ccccc1O)c1c(O)ccc2ccccc12 6576419 ZGJPAGJTSAPEGX-OAHLLOKOSA-N 333.347 2.750 50 40 EFGB O=C(N/N=C/c1cc(Cl)ccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 2754248 WMQUKLWCGMURKO-LZYBPNLTSA-N 348.702 2.920 50 40 EFGB CCN1CC=C2[C@H](C1)[C@H](c1ccccc1F)C(C#N)=C(N)C2(C#N)C#N 33936203 VNTXAFWZFKDMMH-MAUKXSAKSA-N 347.397 2.571 50 40 EFGB C/C(=N\NC(=O)COc1ccc2ccccc2c1)c1cn(C)nc1C 96035573 ZPQIIDAZBSAFEV-DEDYPNTBSA-N 336.395 2.801 50 40 EFGB COc1ccc(CC(=O)N/N=C/c2ccc(N3CCCCC3)o2)cc1 408728565 OVFWJTXPOPNEBS-XSFVSMFZSA-N 341.411 2.971 50 40 EFGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1ccccc1F 96563320 FAYZXPFLMQBXPF-HNNXBMFYSA-N 346.317 2.967 50 40 EFGB C=CCOc1ccc(/C=N/NC(=O)[C@H](OC)c2ccccc2)c(O)c1 4714597 QFAABZIKRYUSLO-JZQBQCRLSA-N 340.379 2.795 50 40 EFGB CCCN1CC=C2[C@H](C1)[C@H](c1ccsc1)C(C#N)=C(N)C2(C#N)C#N 36044807 PWHPYBBLANZBOJ-DOTOQJQBSA-N 349.463 2.883 50 40 EFGB Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1ccc(O)c(O)c1 4721569 ODRKLROCCXMCNV-VXLYETTFSA-N 337.335 2.825 50 40 EFGB CC(C)(C)OC(=O)NCCC(=O)N/N=C/c1ccc2ncccc2c1 6768251 WPCWBNMBXIYTGW-CIAFOILYSA-N 342.399 2.600 50 40 EFGB COc1ccc([C@H]2[C@@H]3CCC=C3C(C#N)=C(N)C2(C#N)C#N)c(OC)c1 20247339 SBIMLFLLINPJFB-RDTXWAMCSA-N 346.390 2.907 50 40 EFGB O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc([N+](=O)[O-])cc1 48080 UQWNNCFLTSLJHV-UHFFFAOYSA-N 349.346 2.752 50 40 EFGB COc1cc(OC)c(/C=C(/C#N)C(N)=S)cc1Br 12403969 OGHXGDXLIAYNJX-BAQGIRSFSA-N 327.203 2.659 50 40 EFGB Cc1ccc(C(=O)N/N=C\c2cc(O)ccc2Br)cn1 32110881 RFYWTIKLXWIGEV-IUXPMGMMSA-N 334.173 2.622 50 40 EFGB CCOc1ccccc1/C=N\NC(=O)Cc1ccc(OC)c(OC)c1 36144887 UMBVSKPKGFIWOO-MOSHPQCFSA-N 342.395 2.795 50 40 EFGB Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)COC3)c2ccccc2n1 49994445 OYDRQTDPRPLJND-UHFFFAOYSA-N 347.374 2.648 50 40 EFGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc(Br)c1 1004530 QFWVTTDALXUOKC-CYBMUJFWSA-N 349.184 2.704 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(OC)c1 59156 SZQYZVBYBWJXRL-VXLYETTFSA-N 348.786 2.886 50 40 EFGB CCOc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 826041 CMTVSXQBANRDFR-WOJGMQOQSA-N 343.339 2.766 50 40 EFGB C[C@H]1CN(C(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2)C[C@H](C)O1 35229642 JSFCHCKXDLXVBV-GWJSJLEESA-N 336.338 2.831 50 40 EFGB COc1ccc(OC)c(/C=N/NC(=O)c2ccccc2N(C)C)c1 1735342 OSTLZKSIUDINFN-XDHOZWIPSA-N 327.384 2.534 50 40 EFGB COCCCNC(=S)P(=O)(c1ccccc1)c1ccccc1 2577628 KTJDSWROXJUZPA-UHFFFAOYSA-N 333.393 2.912 50 40 EFGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2C)CC(=O)N1 9087705 DNFVFWJEFVGSDO-CYBMUJFWSA-N 330.409 2.630 50 40 EFGB COc1cccc(C[C@@H](C)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1 59210 GIHDOZHAGXITGG-KZKLBEMASA-N 341.367 2.932 50 40 EFGB CC1=Nc2ccc(Cl)cc2[C@H](c2ccccc2)N1CC(=O)NN 287286 FTIVKYCZADABAJ-KRWDZBQOSA-N 328.803 2.785 50 40 EFGB Cc1c(NC(=O)CCl)c(=O)oc2c(C)c3occc(=O)c3cc12 1612543 RIMSJNVASQUWBB-UHFFFAOYSA-N 333.727 2.694 50 40 EFGB C=C(C)CN(CC)C(=O)COC(=O)/C(C#N)=C\c1ccc(OC)cc1 44865769 MOLSOYQTYSDGCD-YBEGLDIGSA-N 342.395 2.570 50 40 EFGB CCCCNC(=O)NNC(=O)CSc1nc2ccccc2s1 3342887 KBHNCFKTGCEHMB-UHFFFAOYSA-N 338.458 2.519 50 40 EFGB COc1ccc2[nH]c(C(=O)NNC(=O)CCc3ccccc3)cc2c1 9581812 CBIOFJJCFNHIER-UHFFFAOYSA-N 337.379 2.570 50 40 EFGB Cc1nc(N)sc1C(=O)N/N=C/c1ccc(C(F)(F)F)cc1 139669 ANTLKFRXEQSREB-NGYBGAFCSA-N 328.319 2.816 50 40 EFGB CCOC(=O)/C(C#N)=C/Nc1ccccc1C(=O)N1CCCCC1 103550572 HDMNLWAIBKNJGT-BUHFOSPRSA-N 327.384 2.695 50 40 EFGB O=C(CN1CCCCC1)N/N=C/c1cc(Cl)cc(Cl)c1O 20248352 ALDYKGODXGWTRR-CAOOACKPSA-N 330.215 2.635 50 40 EFGB C[C@@H]1CN(c2ccc(C(=O)NNc3ccc(F)cc3)cn2)C[C@@H](C)O1 47528055 IFRVVKKIAYTDMI-CHWSQXEVSA-N 344.390 2.591 50 40 EFGB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=O)c1ccccc1O 13006228 RHDQHXXYRDKVIP-NSHDSACASA-N 348.786 2.583 50 40 EFGB CO[C@@H](C(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1)c1ccccc1 20248134 NOMNESUEDHWDCR-YAJBTMAUSA-N 327.340 2.823 50 40 EFGB O=C(N/N=C\c1cccc(O)c1)c1cc(Br)ccc1O 33341116 UEGOHQJCNYCTRV-PXNMLYILSA-N 335.157 2.624 50 40 EFGB O=C(NNc1ccc([N+](=O)[O-])cc1)c1cnc(-c2ccccc2)nc1 133822437 SAMCCRIWDRAPAF-UHFFFAOYSA-N 335.323 2.809 50 40 EFGB Cc1nn(C)cc1/C=N/NC(=O)c1cc(C2CC2)nc2ccccc12 547768 NOBNAWWAHWRLTC-KEBDBYFISA-N 333.395 2.918 50 40 EFGB CCOC(=O)/C(=C(\C)Nc1ccc(Cl)cc1)[C@H]1CC(=O)OC1=O 100207006 SYASXUXWOKXKDP-ZMTLZGASSA-N 337.759 2.679 50 40 EFGB CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 5903992 UAJUINVKBXHHAH-UHFFFAOYSA-N 340.379 2.788 50 40 EFGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](CCc3ccccc3)[C@H]2C1 4103608 WZGYXEQKTWLZDZ-OALUTQOASA-N 343.434 2.507 50 40 EFGB Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3sccc3C)CC2=O)cc1 526778 AGHJQXVGJCDFDT-FVOVHSBVSA-N 341.436 2.868 50 40 EFGB O=C(NNc1ncnc2c1cnn2-c1ccccc1)C1CCCCC1 4355112 HYXRBXCYSQUFKP-UHFFFAOYSA-N 336.399 2.839 50 40 EFGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(O)cc2)cc1OC 409326085 GNTXTPZMKZKXHN-UNOMPAQXSA-N 326.352 2.730 50 40 EFGB O=C(NNS(=O)(=O)c1ccccc1Cl)c1ccccc1Cl 7386312 NFAKAESDLPAOPN-UHFFFAOYSA-N 345.207 2.617 50 40 EFGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(O)c1 408592568 ZKEUVFYFVMMGKV-DJKKODMXSA-N 342.351 2.672 50 40 EFGB CC[C@H](C)[C@H](NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)C(=O)O 252486086 DXGBRSQDYFXPAJ-GRZGAGJTSA-N 332.238 2.556 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)COc2ccccc2)cc1OC 13955064 YHCLWDHKYIYLBF-CPNJWEJPSA-N 328.368 2.623 50 40 EFGB BrC[C@@H]1CN[C@@](Br)(N2CCCCC2)S1 19325285 KEGOIUYZGLTPNT-BDAKNGLRSA-N 344.116 2.578 50 40 EFGB Oc1ccccc1/C=N/NC1=N[C@@H]2CC[C@@H](Br)[C@@H]2S1 5583492 ZTXKTTBSRATLGU-NBGIMYDQSA-N 340.246 2.713 50 40 EFGB Cc1ccc(NCC(=O)NNC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)c(C)c1 57382123 SZZLXOTWWJNPAT-XHSDSOJGSA-N 329.444 2.689 50 40 EFGB O=C(NNC(=O)c1cccs1)c1ccc(OC(F)(F)F)cc1 6784470 MCOMACSZOMEMMH-UHFFFAOYSA-N 330.287 2.722 50 40 EFGB COc1ccc(C(=O)N/N=C/c2cccn2-c2ccc(O)cc2)cc1 409018801 VCULEJFBWANJFX-DEDYPNTBSA-N 335.363 2.955 50 40 EFGB COc1ccc([C@@H]2[C@H](C#N)C(=C(C#N)C#N)N=C(C)[C@H]2C(C)=O)cc1 33821708 HQSHBHYJDDWBSS-OKZBNKHCSA-N 332.363 2.900 50 40 EFGB Cc1cc(C)n2nc(C(=O)N/N=C/c3cccc4ccccc34)nc2n1 131720 PMFCYZGJMKANSO-RGVLZGJSSA-N 344.378 2.658 50 40 EFGB CCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccccc3)CC2=O)cc1 33849700 BGPKTQHEOSJNOL-OJSPLJLUSA-N 335.407 2.752 50 40 EFGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1c[nH]c2ccccc12 44062817 OAUBCLOEHZEUPP-CIAFOILYSA-N 335.363 2.632 50 40 EFGB Cc1cccc(C(=O)NNC2=CC(=O)C[C@@H](c3ccccc3)C2)c1O 408751375 IYKAXJCXOWRIAA-HNNXBMFYSA-N 336.391 2.966 50 40 EFGB O=C(NNC(=O)c1n[nH]c2ccccc12)c1cc2c(s1)CCCC2 15387522 PTIKTEJJZXFKIA-UHFFFAOYSA-N 340.408 2.578 50 40 EFGB CCN(CC)C(=C(C#N)C#N)[C@@]1(C#N)[C@H](c2ccccc2)C1(C#N)C#N 66087535 NRKBROKORXLXIC-YLJYHZDGSA-N 340.390 2.970 50 40 EFGB CCN(C[C@H]1CCCN1C(=O)CCl)C(=O)OCc1ccccc1 79411907 MAKPTIDHCISKEQ-OAHLLOKOSA-N 338.835 2.875 50 40 EFGB COc1ccc(O)c(/C=N/NC(=O)COc2ccc(Cl)cc2)c1 58807 AYGXNJDRUOTOAM-GIJQJNRQSA-N 334.759 2.583 50 40 EFGB CC1(C)Cc2ccccc2C(NNC(=O)c2ccccc2[N+](=O)[O-])=N1 109167 CKNNLOZTXPTTFX-UHFFFAOYSA-N 338.367 2.611 50 40 EFGB O=C(N/N=C1\C(O)=Nc2c(Cl)cc(Cl)cc21)[C@H]1CCCO1 43972850 UPMJXVUOXYIURN-SECBINFHSA-N 328.155 2.594 50 40 EFGB Cc1cc2c(c(=O)n1C)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 2215654 FNKXITXYZWGTBK-AWEZNQCLSA-N 327.771 2.565 50 40 EFGB C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccc(N(C)C)o1 6183383 IKCVMLIFBSJIPP-VDCVXVNISA-N 335.791 2.917 50 40 EFGB CCCc1n[nH]c2c1[C@H](c1ccc(OC(C)=O)cc1)C(C#N)=C(N)O2 6493348 YIINQCOSOCOBSY-OAHLLOKOSA-N 338.367 2.506 50 40 EFGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NNC(=O)c1cccnc1 9882701 PABNBYMERHOIMY-SNVBAGLBSA-N 335.816 2.677 50 40 EFGB O=C(CC(=O)N/N=C\c1ccccc1Cl)NCCc1ccccc1 33423179 VPVKOMSFWHKXIC-BKUYFWCQSA-N 343.814 2.539 50 40 EFGB COc1ccc(CC(=O)N/N=C/c2ccc(C)c([N+](=O)[O-])c2)cc1 408727749 GHLJTICAIBCPPG-WOJGMQOQSA-N 327.340 2.605 50 40 EFGB C[C@H](C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2)C(F)(F)F 72302674 ODSQBCDSZMLHAO-XBVVOLJWSA-N 332.366 2.939 50 40 EFGB Cn1cc(Cl)c(C(=O)N/N=C/c2ccccc2C(F)(F)F)n1 258158 MKIBBQKSIKQYGX-NGYBGAFCSA-N 330.697 2.856 50 40 EFGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cccc(OCC(=O)O)c1 408816320 YGMDMKHQZRRHAT-ZYTLPXSGSA-N 342.395 2.752 50 40 EFGB Cc1c(N/C=C(/C#N)C(=O)C(C)(C)C)c(=O)n(-c2ccccc2)n1C 5696975 UNYZFCCPTZWCMZ-OWBHPGMISA-N 338.411 2.919 50 40 EFGB COc1cccc(NC(=S)NNC(=O)c2ccccc2Cl)c1 67682 XJTRDJHSTCOLPF-UHFFFAOYSA-N 335.816 2.980 50 40 EFGB CCOC(=O)[C@](C)(N)CCP(=O)(c1ccccc1)c1ccccc1 53307851 XSNFMVVBBHTHRD-LJQANCHMSA-N 345.379 2.671 50 40 EFGB Cn1cc(/C=N/NC(=O)COc2ccccc2C#N)c2ccccc21 354881 JASQKIFPYYAMCF-SRZZPIQSSA-N 332.363 2.579 50 40 EFGB O=C(CSc1cccc2cccnc12)NNC(=O)c1cccs1 9995963 APHZDRJOVVKFTF-UHFFFAOYSA-N 343.433 2.850 50 40 EFGB CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C(Cl)Cl)cc1 73975 UXSNPAKGPSJMPS-UHFFFAOYSA-N 339.244 2.506 50 40 EFGB CCN(CC)C(=O)CSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1 6948765 PCMLXYCYEHIUTI-AWEZNQCLSA-N 343.452 2.627 50 40 EFGB C[C@]1(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CC1(Cl)Cl 5865405 IRQZHKJNNRBKBI-ZPZKJRJUSA-N 345.270 2.934 50 40 EFGB O=C(NNC(=S)Nc1ccc(C(F)(F)F)cc1)c1cccnc1 17071189 LUYWHZJZMMUYAE-UHFFFAOYSA-N 340.330 2.732 50 40 EFGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC 7894151 YQNNULFNHKEIMW-GIJQJNRQSA-N 347.302 2.515 50 40 EFGB O=C(COc1cccc2cccnc12)NNCCC(=O)c1ccccc1 2434134 RMJZPHJJQHWWIY-UHFFFAOYSA-N 349.390 2.507 50 40 EFGB CCOC(=O)[C@H](C)/C(C)=N/NC(=O)COc1ccc(Cl)cc1C 4523873 BFOXNUKUKDXEMQ-UCXYNXEWSA-N 340.807 2.719 50 40 EFGB Cc1nccc(C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)n1 84290721 UCHVXAUBMRSUKE-UHFFFAOYSA-N 344.440 2.580 50 40 EFGB N#C/C(=C/c1cc([N+](=O)[O-])c(O)cc1O)C(=O)Nc1ccccc1F 408818694 YMVMJEXCGFATEK-YHYXMXQVSA-N 343.270 2.691 50 40 EFGB COc1ccc(OC)c(/C=N/NC(=O)[C@H](OC)c2ccccc2)c1 219106 WCJBBBMPHNXUOI-MIQLPHMESA-N 328.368 2.542 50 40 EFGB Cc1cc(C(=O)NNC(=O)/C=C/c2nc3ccccc3s2)c(C)o1 3613746 RRSJUTSPKPQEHH-BQYQJAHWSA-N 341.392 2.981 50 40 EFGB CC(C)(C)OC(=O)N(CSS(C)(=O)=O)C(=O)OC(C)(C)C 22052212 FZNXHBNNTGBLEP-UHFFFAOYSA-N 341.451 2.809 50 40 EFGB in-vitro CN(C)c1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2)cc1 3412333 WYVPXBPTJUMHIN-FOWTUZBSSA-N 349.390 2.841 50 40 EFGB COc1cccc(OCCOc2ccc(/C=N/NC(C)=O)cc2)c1 4548680 FHLOGVKITDMFFK-CPNJWEJPSA-N 328.368 2.623 50 40 EFGB N#CC1=C(N)Oc2ncnc(O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 9419331 ZARXGIUNRKUEMX-SNVBAGLBSA-N 335.150 2.707 50 40 EFGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1O 5173021 HFYIXJJUMREBNB-RQZCQDPDSA-N 333.731 2.647 50 40 EFGB CN(Cc1nc2ccccc2s1)C(=O)NNC(=O)c1ccccc1 40498167 OISJHJRLSBDJOH-UHFFFAOYSA-N 340.408 2.783 50 40 EFGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 59316 MVEXTKPJUGFZMZ-WOJGMQOQSA-N 340.339 2.707 50 40 EFGB COC(=O)c1cc(C(=O)OC)cc(N(CCCl)CCCl)c1 1672691 VTOGIKKOZHZZJA-UHFFFAOYSA-N 334.199 2.544 50 40 EFGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@]23[C@@H]4C=C[C@@H](C4)[C@]12N=NN3c1ccccc1 104292989 OMGGDHZFRGBBHT-KJGYYWAESA-N 347.374 2.523 50 40 EFGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2)n[nH]1 9046480 VUKJGVHLWRLZSO-WOJGMQOQSA-N 335.323 2.749 50 40 EFGB CCOc1cc2c(cc1/C=N\NC(=O)c1cccc(F)c1)OCO2 409098195 OHHGBMDHXLHBEJ-OCKHKDLRSA-N 330.315 2.717 50 40 EFGB CCOC(=O)[C@@H](CC)/C(C)=N\NC(=O)COc1ccc(C)c(C)c1 408956181 PTOCVICCQXLQML-UYPHOHSBSA-N 334.416 2.764 50 40 EFGB O=C(CCC(=O)N/N=C/c1ccc(Cl)cc1)NCc1ccccc1 3167942 BULQDNKYTNBZCI-FYJGNVAPSA-N 343.814 2.887 50 40 EFGB Cc1ccc(C)c(OCCC(=O)NNC(=O)c2ccccc2F)c1 9448326 GHGRTYSDZPRJBN-UHFFFAOYSA-N 330.359 2.673 50 40 EFGB Cc1c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] 58871555 XXYMBUHRYWBXRK-CXUHLZMHSA-N 328.284 2.575 50 40 EFGB C/C(CCc1ccccc1)=N/NC(=O)C(=O)N[C@@H](C)c1ccccc1 4481972 CFFXCPKJNPUSFO-AABCQZNVSA-N 337.423 2.989 50 40 EFGB CCOc1cc(/C=N/NC(=O)CNc2ccccc2C)ccc1OC 4608511 UEVQQYCKQBBAHA-CIAFOILYSA-N 341.411 2.965 50 40 EFGB Cc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1N1CCCC1 5818182 WRCVJTVNNLUOFU-KRWDZBQOSA-N 335.411 2.845 50 40 EFGB C#CCOc1ccc(Cl)cc1[C@H]1C(C#N)=C(N)Oc2n[nH]c(C)c21 409125859 KQCZWACYTXUPJR-HNNXBMFYSA-N 340.770 2.602 50 40 EFGB CC(C)(C)OC(=O)N(C[C@@H]1CCCN(C(=O)CCl)C1)C1CC1 83318740 PSXCZCBXRJGMOJ-GFCCVEGCSA-N 330.856 2.863 50 40 EFGB COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OC(C)C 5130868 IJQWCWSZIMIIIA-MRXNPFEDSA-N 340.383 2.732 50 40 EFGB CC(=O)N1[C@@H](C(=O)NNc2ccccc2)CS[C@H]1c1ccccc1 1643130 BLKAUWDHKQFPLR-AEFFLSMTSA-N 341.436 2.792 50 40 EFGB Cc1ccc(C(=O)N/N=C/c2c(C)nc3sc(C)cn23)c(O)c1 54885183 MVATYBSVGDSDDP-REZTVBANSA-N 328.397 2.791 50 40 EFGB CCN(CC)C(=O)/C(C#N)=C\c1cn(CC(=O)OC)c2ccccc12 408789565 MMJMZNHHJQFPPK-UVTDQMKNSA-N 339.395 2.590 50 40 EFGB O=C(N/N=C\C=C\c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 4498782 PVULOLMQFVXQQI-UQSGJNLASA-N 339.307 2.753 50 40 EFGB CCOc1ccc(N2C(S)=C(C#N)C(=O)N[C@@H]2c2ccco2)cc1 19810109 JQVNZJQTIPDBIB-HNNXBMFYSA-N 341.392 2.978 50 40 EFGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)o1 408799576 HDEQJWJHZLUTPZ-NCZAWXAYSA-N 343.427 2.718 50 40 EFGB C/C(=N\NC(=O)CNc1ccc2c(c1)OCO2)c1ccc(C)cc1 409181450 AOCLXKKTPSGYSR-DEDYPNTBSA-N 325.368 2.676 50 40 EFGB CC(C)(C)OC(=O)N1CCC(CN(C(=O)CCl)C2CC2)CC1 79392595 AJYBMHFFRIDIPD-UHFFFAOYSA-N 330.856 2.863 50 40 EFGB COc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1ccc(F)cc1 3335623 KIKOHBIXUWDVNO-RIYZIHGNSA-N 326.327 2.806 50 40 EFGB Cn1cc(Br)c(C(=O)N/N=C/c2cccc(Cl)c2)n1 5730934 BTCDVSJLRMNVAM-GIDUJCDVSA-N 341.596 2.600 50 40 EFGB Cc1ccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1C 59163 QQXNXQXOTZURKP-VCHYOVAHSA-N 327.340 2.741 50 40 EFGB COc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Cl 108117836 VYHWMRLPSMLCPF-ZDLGFXPLSA-N 347.758 2.950 50 40 EFGB COc1cc(/C=N/NC(=O)c2cc(Cl)ccc2OC)ccc1O 5527178 MGAUOSZGXIUGJA-GIJQJNRQSA-N 334.759 2.827 50 40 EFGB C=CCOc1cccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)c1 6158803 QIGMKYRBEKYAPR-DEDYPNTBSA-N 337.379 2.974 50 40 EFGB CCN(N)C(=O)c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 5313724 JLIDDZURLIRIQY-UHFFFAOYSA-N 346.299 2.631 50 40 EFGB CCOc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1OCC 135210 ADUHNZAONPRKOV-JZQBQCRLSA-N 342.395 2.668 50 40 EFGB CCc1ccc(CC(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)cc1 409361770 DFGSMYQLOPLIHH-WQRHYEAKSA-N 327.340 2.556 50 40 EFGB C=CCc1cc(/C=N/NC(=O)c2ccccc2O)cc(OC)c1O 8108975 KSFMPILQLKMWQF-YBFXNURJSA-N 326.352 2.599 50 40 EFGB COc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(C)c1 8336184 OJJQODXKBINTAY-GIJQJNRQSA-N 344.440 2.653 50 40 EFGB COc1cccc(/C=N\NC(=O)COc2ccc(C)cc2C)c1OC 30843622 OHLILHVQXYYQIP-JAIQZWGSSA-N 342.395 2.850 50 40 EFGB Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccc(O)cc1O 242922 YIZGTQLFFVOVLP-QGMBQPNBSA-N 334.759 2.589 50 40 EFGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1Cl 3009032 AHNDZKCGOAKZES-YBFXNURJSA-N 345.786 2.828 50 40 EFGB O=C(CSc1ccc(F)c(Cl)c1)NNC(=O)c1ccco1 8403929 ONKNCTFCDRHMKW-UHFFFAOYSA-N 328.752 2.625 50 40 EFGB COc1ccc(NC(=S)/C(=N\NC(N)=O)c2ccccc2)cc1 68572224 VMXWAUFAGBMBIP-RGEXLXHISA-N 328.397 2.507 50 40 EFGB NNC(=O)c1ccc2oc(-c3cccc(Br)c3)nc2c1 216838791 YEGILZROBNNSQX-UHFFFAOYSA-N 332.157 2.861 50 40 EFGB CC(C)(C)OC(=O)N1CCC[C@H](CN(C(=O)CCl)C2CC2)C1 79392592 SZQCWUZRRGDFRM-LBPRGKRZSA-N 330.856 2.863 50 40 EFGB N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)C(=O)N1CCOCC1 15227012 AMRHIJSZWYCOET-OWBHPGMISA-N 341.798 2.896 50 40 EFGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)NC2CCCCC2)cc1 3224131 UIBHHTKCHYDHHW-RVDMUPIBSA-N 342.395 2.594 50 40 EFGB O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] 58886470 HDOFKJWIGJRVDE-IQFISFIMSA-N 327.340 2.559 50 40 EFGB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)NNC(=O)c1ccccc1O)C2 107491421 GSZLSRGNXZHWBW-MIUNTBIASA-N 331.416 2.551 50 40 EFGB CCOC(=O)[C@H](/C(C)=N/NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 4508709 OAFMMMKCPXLOEZ-MPMPPSQCSA-N 335.360 2.536 50 40 EFGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(F)cc3)CC2=O)cc1 409153189 LPENNTFISKSTNB-SYZMQFJCSA-N 339.370 2.637 50 40 EFGB C#CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1 65999530 JPJXTYXBEBMWCA-AQTBWJFISA-N 346.386 2.931 50 40 EFGB Cc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 8371702 QDBFCFCEGBVJGW-FPQGOQEYSA-N 339.370 2.637 50 40 EFGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(C(=O)O)cc1 528269 NRJYPKQACNNDJL-VXLYETTFSA-N 326.352 2.531 50 40 EFGB O=C(NNc1nc2cc3c(cc2s1)OCCO3)c1ccc(F)cc1 4121510 PJQMKQZPJVGAKP-UHFFFAOYSA-N 345.355 2.964 50 40 EFGB CC(=O)NNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NC1 21990558 RIYMFZCORTVORQ-UHFFFAOYSA-N 326.787 2.862 50 40 EFGB in-vitro O=C(O)c1cccc(SS(=O)(=O)c2cccc(C(=O)O)c2)c1 1579488 ZLXBDOQCIJHJQV-UHFFFAOYSA-N 338.362 2.564 50 40 EFGB Cc1ccc(C)c(C(=O)NNC(=O)CN2CCCc3ccccc32)c1 6253427 VZIFGBAESZLRAY-UHFFFAOYSA-N 337.423 2.517 50 40 EFGB N#C/C(=C\c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(O)cc1 561558 NQSWRTILDNWIFM-DTQAZKPQSA-N 349.390 2.774 50 40 EFGB CC(C)C(=O)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12 17441121 CZQBYTRKUXMOSQ-UHFFFAOYSA-N 334.379 2.714 50 40 EFGB CCc1c(C(=O)NNc2oc(C(C)C)nc2C#N)cnn1C(C)(C)C 58159280 VDWXMOMMVZPVDJ-UHFFFAOYSA-N 344.419 2.940 50 40 EFGB C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 4393998 HKIPXKRZXDNBCI-MHWRWJLKSA-N 328.284 2.657 50 40 EFGB C=CCOc1ccc(/C=C(\C#N)C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 5881393 MFARPPAEPOCFMT-VOSWBJTRSA-N 326.396 2.794 50 40 EFGB COc1ccc(/C=N/NC(=O)CSc2ccccc2)cc1OC 1021032 ZXMIPMFEFYLFKJ-WOJGMQOQSA-N 330.409 2.946 50 40 EFGB CCOc1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 374799 CECOMPLWOCXRSK-UHFFFAOYSA-N 326.245 2.554 50 40 EFGB COc1ccccc1/C=C/C=N/NC(=O)Cn1cnc2ccccc21 1740367 VVSGTJHLKYAQSY-QCDJPJHBSA-N 334.379 2.860 50 40 EFGB COc1ccccc1NC(=O)/C(C#N)=C1\C(=O)Nc2ccc(C)cc21 39555996 DFTTXSVFIUUOBX-LGMDPLHJSA-N 333.347 2.872 50 40 EFGB Cc1cc(O[C@H](C)C(=O)NNC(=O)c2ccccn2)ccc1C(C)C 40142850 WDXDGJIXQNAKHE-CQSZACIVSA-N 341.411 2.742 50 40 EFGB CC(C)(C)OC(=O)N[C@H](CCC(=O)CCl)C(=O)OC(C)(C)C 83259254 YAVBUNUPPHQFPT-LLVKDONJSA-N 335.828 2.810 50 40 EFGB O=C(NNC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccc[nH]1 96998399 QXCUAQFJAMJXMK-MNOVXSKESA-N 337.301 2.598 50 40 EFGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1ccc(F)cc1 4742374 JCXZIGBYUDNAKT-HNNXBMFYSA-N 346.317 2.967 50 40 EFGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccncc1 237049 LCEPNEUREVNAHL-RQZCQDPDSA-N 334.173 2.617 50 40 EFGB Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccccc1F 3148420 YXQFCVWDZXYZJU-DJKKODMXSA-N 333.750 2.876 50 40 EFGB O=C(N/N=C/NOCc1ccc(Cl)cc1Cl)c1ccncc1 3041965 XTMZJAUQDVSAPL-UHFFFAOYSA-N 339.182 2.783 50 40 EFGB N#CC(=C=N)/C(C#N)=C(\C(=O)c1ccc(Cl)cc1)[n+]1ccccc1 409415787 KWZGNCRKJGWCGZ-WUKNDPDISA-N 333.758 2.944 50 40 EFGB N#CCOc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1 8220901 NSLQFESXYJQOHF-NBVRZTHBSA-N 331.375 2.855 50 40 EFGB CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccccc2C(=O)O)cc1 512627 HJNZYYVKTLSACX-UHFFFAOYSA-N 340.379 2.757 50 40 EFGB C/C(N)=C(\C#N)C(=O)CSc1nnc(NCc2ccccc2)s1 104694245 QYOSBOCTRZRIFQ-BENRWUELSA-N 345.453 2.568 50 40 EFGB O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)NNc1ccccn1 69115073 CIBULAUNHMKSEB-GFCCVEGCSA-N 347.369 2.512 50 40 EFGB COc1cc(/C=C(\C#N)C(=O)N2CCCCC2)cc(OC)c1OC 12650199 LRBVVVDSLSNNAH-NTEUORMPSA-N 330.384 2.632 50 40 EFGB CCOC(=O)NNS(=O)(=O)c1ccc(C2CCCCC2)cc1 5126788 XGFIVMLTNOPGEM-UHFFFAOYSA-N 326.418 2.674 50 40 EFGB COC(=O)N/N=C/c1ccc(OC(=O)c2cccc(F)c2)c(OC)c1 4739440 KLYPCKUVZWANOR-VXLYETTFSA-N 346.314 2.743 50 40 EFGB Cc1ccc(C(=O)N/N=C/c2ccccc2OCC(=O)O)c(Cl)c1 4815552 ZBHIPONHJMRBMJ-DJKKODMXSA-N 346.770 2.876 50 40 EFGB CO[C@H](C(=O)N/N=C/c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 408719492 GGWHWFTUUMLNDK-GYKGCMEESA-N 327.340 2.741 50 40 EFGB CC(C)(C)C(=O)NNC(=O)c1ccccc1NC(=O)c1ccccc1 127258295 OWVFCRMSZMTEFS-UHFFFAOYSA-N 339.395 2.746 50 40 EFGB COc1cccc(/C=N\NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c1 31830143 AYEPWMBNXVVPGF-JAIQZWGSSA-N 338.342 2.988 50 40 EFGB C/C(=C\C(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1 6013688 FFBOKMUWHWLBQE-VAWYXSNFSA-N 325.324 2.616 50 40 EFGB CCOC(=O)/C(C#N)=C1\CCC[C@@H]1/C(SC)=C(/C#N)C(=O)OCC 16681986 IAHVMKQZNRJCRQ-QSEAVHLOSA-N 348.424 2.874 50 40 EFGB C/C(=N/NC(=O)c1cc(C(C)(C)C)n[nH]1)c1cccc([N+](=O)[O-])c1 5685634 WBACIZGBAUDFLU-YVLHZVERSA-N 329.360 2.769 50 40 EFGB Cc1cc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)c(C)s1 117771 JQAPQHMTDQQOMC-MRXNPFEDSA-N 342.468 2.942 50 40 EFGB O=C(CSCc1ccccc1)N/N=C/c1ccc(C(=O)O)cc1 59147594 KVPFAEIVEOMLFI-VCHYOVAHSA-N 328.393 2.768 50 40 EFGB CCCOc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1OC 2117986 NHTWJJMNOOMOFG-UHFFFAOYSA-N 342.424 2.702 50 40 EFGB C=CCN1C(=O)/C(=C(\C#N)C(=O)NCc2ccccc2)c2ccccc21 409389041 OOXXWDHMQJKURJ-HTXNQAPBSA-N 343.386 2.813 50 40 EFGB CCc1cccc(CC)c1N(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1 217378262 RRBBHIQQEKQICM-CQSZACIVSA-N 343.876 2.570 50 40 EFGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCOCC3)o2)cc1 445909 ZXLVMUACEVMPTR-NTCAYCPXSA-N 337.379 2.970 50 40 EFGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1O 486735 SWWYHKJQEJPFOT-CAOOACKPSA-N 349.730 2.726 50 40 EFGB COc1ccc(CNC(=O)c2ccccc2NC(=O)CCl)cc1 5861086 LIERFCRYRXOPJN-UHFFFAOYSA-N 332.787 2.803 50 40 EFGB COc1ccc(-c2n[nH]c3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)cc1 6157004 KNUFPSVBRUQPCF-HNNXBMFYSA-N 345.362 2.698 50 40 EFGB CCOC(=O)NNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 21772007 NEYXUZYIEVRNEB-UHFFFAOYSA-N 344.327 2.729 50 40 EFGB CCCC[C@@](CCC(=O)O)(C(=O)CBr)C(=O)OCC 2285314 JEBJHDBTCKZEJD-CYBMUJFWSA-N 337.210 2.555 50 40 EFGB COc1ccc(Br)cc1/C=N\NC(=O)c1cccc(O)c1 25668110 XSWPAJAZSKJRLU-MFOYZWKCSA-N 349.184 2.927 50 40 EFGB Cn1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c2ccccc21 409045321 GFZXQCPPDJDHPX-KEBDBYFISA-N 335.363 2.600 50 40 EFGB CCN(CC)c1ccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 3476346 UMUYMASGBPCHIH-DEDYPNTBSA-N 339.395 2.995 50 40 EFGB CSc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1 5745961 GKKUFVIJPDVYAV-WOJGMQOQSA-N 327.409 2.806 50 40 EFGB Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(O)cc2)cc1C 6215652 GZVKXBLXKRGVHO-UDWIEESQSA-N 339.395 2.878 50 40 EFGB Cc1cc(C)nc(NNC(=O)c2cnc3onc(C(C)C)c3c2)n1 22324408 POJKNRIXXKPLFP-UHFFFAOYSA-N 326.360 2.510 50 40 EFGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c1C 12844016 GKOOMFZUKOJUBW-CAOOACKPSA-N 331.328 2.642 50 40 EFGB CCOc1ccc(NC(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)cc1 408905587 ZOLKKXYQXWJXGE-YVLHZVERSA-N 344.327 2.855 50 40 EFGB N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1ccccc1F 4590824 ZJEDPPGOXGRKOX-UKTHLTGXSA-N 340.310 2.835 50 40 EFGB COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2)c1 409183304 BEZILIPDMLMMQD-VXLYETTFSA-N 346.770 2.656 50 40 EFGB CCOc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccn2)ccc1O 188506 DGEVAJSNMOTKHT-MKFNJMOCSA-N 345.424 2.817 50 40 EFGB O=S(=O)(N[C@@H]1C2CCC(CC2)[C@@H]1Br)c1ccccc1 1643922 QGDAYPKMQFICSL-DZYMPVBWSA-N 344.274 2.917 50 40 EFGB O=C(NNc1ccccc1[N+](=O)[O-])C1=NO[C@H](c2ccccc2)C1 53061339 UORNALPTKIQNBR-HNNXBMFYSA-N 326.312 2.556 50 40 EFGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(I)o1 408814893 SMWJUUBPWVJZBF-CYXIBPNKSA-N 344.152 2.706 50 40 EFGB CC/C(C)=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 4401924 MYEOYMKLDMHEQB-LUJYGJGBSA-N 337.423 2.930 50 40 EFGB Cc1c(C(=O)N/N=C\c2ccc(N(C)C)cc2)sc(=S)n1C 28628640 BOMHCSQIQAMMMV-SXGWCWSVSA-N 334.470 2.954 50 40 EFGB CC(C)Oc1cccc(C(=O)n2cc(C(=O)NN)c3ccccc32)c1 216956881 YICYNXYZEXQPTD-UHFFFAOYSA-N 337.379 2.721 50 40 EFGB COc1ccc(OC)c(/C=N\NC(=O)c2cn(C)c3ccccc23)c1 33322911 APYJSRWJFJUJQL-JAIQZWGSSA-N 337.379 2.959 50 40 EFGB COc1ccc(C(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)cc1OC 5288978 WMTLDQMTOCBOHP-WOJGMQOQSA-N 343.339 2.766 50 40 EFGB CC1=C(C#N)[C@@](NC(=O)CCC2CCCCC2)(C(F)(F)F)C(=O)N1 6393939 PTQWGUONGNMDTC-HNNXBMFYSA-N 343.349 2.692 50 40 EFGB C/C(N)=C(\C#N)C(=O)COC(=O)C(c1ccccc1)c1ccccc1 104525535 JVUGDPUIJZJYRR-VKAVYKQESA-N 334.375 2.687 50 40 EFGB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C/c1ccco1 37866230 WAFJXEVQYBJCRB-UFWORHAWSA-N 336.273 2.798 50 40 EFGB Cc1ccccc1COc1ccc(Br)cc1C(=O)NN 226319291 IGVVKHVHJWSZTE-UHFFFAOYSA-N 335.201 2.940 50 40 EFGB Cc1ccc(C(=O)NNC(=O)[C@H](C)n2cnc3ccccc32)c(C)c1 31813299 HXYSFOCUTBMNKQ-AWEZNQCLSA-N 336.395 2.675 50 40 EFGB CO[C@@]1(c2ccccc2)C[C@H]1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 547901 BHMIBLWITDNUHG-BXXXDOFISA-N 339.351 2.607 50 40 EFGB CCOc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1cccnc1 6657280 NYRIBJSXYPBOLJ-FYJGNVAPSA-N 340.383 2.615 50 40 EFGB COc1ccc(/C=N\NC(=O)c2cn(C)c3ccccc23)c(OC)c1 33325819 PNMVPRBZTCTHTC-JAIQZWGSSA-N 337.379 2.959 50 40 EFGB COc1cccc(/C=N/NC(=O)c2ccc(Br)cc2)c1O 259428 YEWLYVCYUQTWIU-RQZCQDPDSA-N 349.184 2.927 50 40 EFGB COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1C 582606 CUIATXLKNIUERG-YBFXNURJSA-N 325.368 2.726 50 40 EFGB O=C(NNC(=O)c1ccc(Br)cc1)NC1CCCCC1 4159947 PWWBEJNRJUXCQV-UHFFFAOYSA-N 340.221 2.726 50 40 EFGB Cc1nc(-c2cccs2)sc1C(=O)NNC(=O)c1ccccn1 14092694 JQNBVBBMBFCSDF-UHFFFAOYSA-N 344.421 2.650 50 40 EFGB O=C(CCC(=O)c1cccs1)NNC(=O)c1c[nH]c2ccccc12 14111860 IIVLAQRBZRUKSK-UHFFFAOYSA-N 341.392 2.654 50 40 EFGB CCOc1cccc(/C=N/NC(=O)COc2ccc(C)cc2)c1O 135142 KDZMQTYWRVCIAP-YBFXNURJSA-N 328.368 2.628 50 40 EFGB C/C(=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(C)cc1 4979463 JZLMHUPBSHBERJ-GZTJUZNOSA-N 342.311 2.965 50 40 EFGB O=C(N/N=C/c1cccc(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3131175 BSJZJAYZKLJXTP-LZYBPNLTSA-N 348.702 2.920 50 40 EFGB Nc1ccc(C(=O)NP(=O)(c2ccccc2)c2ccccc2)cc1 103708834 SJOCELNATHXBOD-UHFFFAOYSA-N 336.331 2.928 50 40 EFGB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CCl 3298514 FIDIZQUVJTYZSR-UHFFFAOYSA-N 343.132 2.995 50 40 EFGB Cc1cc2c(c(=O)n1C)[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 2229499 CBAYGCFGNRKULQ-CQSZACIVSA-N 327.771 2.565 50 40 EFGB COc1ccc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc1[N+](=O)[O-] 409382321 ZUZLGQSUIJWYPJ-ZSOIEALJSA-N 340.339 2.699 50 40 EFGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(C)c3)[C@@H]2C1 17118624 RJSLZGNOQZNJLA-RTBURBONSA-N 343.434 2.740 50 40 EFGB Cc1cccc2c1[C@]1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 17143955 FYXYIAVNUBWLQH-HXUWFJFHSA-N 349.390 2.552 50 40 EFGB CCc1ccccc1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 354211 GACLKSVYBDXYJA-WOJGMQOQSA-N 327.340 2.686 50 40 EFGB C/C(=N\NC(=O)CNc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 8574843 WLXJWNHXMKXHSA-YBFXNURJSA-N 330.319 2.686 50 40 EFGB CCOc1ccc(NCC(=O)N/N=C/c2ccc(OC)cc2)cc1 588223 YQGCPQJHIJRKTM-UDWIEESQSA-N 327.384 2.656 50 40 EFGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3)[C@@H]2C1 4123651 LZEYCKYKGZCIMR-MOPGFXCFSA-N 343.434 2.822 50 40 EFGB COC(=O)C1=C(C)N(C)C(C)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 68606494 RCCJKAADUMPTIW-MRXNPFEDSA-N 327.340 2.868 50 40 EFGB COc1ccc(B2OC(C)(C)C(C)(C)O2)c(CBr)c1 306543698 SWROHJQORBNGQM-UHFFFAOYSA-N 327.027 2.889 50 40 EFGB CC(=O)N1[C@@H](c2ccccc2)C(C#N)=C(O)N1c1nc(C)cc(C)n1 17070593 XQKRZNVXHNWUSA-INIZCTEOSA-N 335.367 2.711 50 40 EFGB CCCCc1cc(C(=O)OC/C(C)=N/NC(N)=O)c2ccccc2n1 4720823 CACZAZICKZOMNX-CIAFOILYSA-N 342.399 2.778 50 40 EFGB CCOc1ccc(NCC(=O)N/N=C2/CC(=O)CC(C)(C)C2)cc1 100220344 AJRZEGRLCOVCJZ-ZHZULCJRSA-N 331.416 2.749 50 40 EFGB CC(C)CC[C@@H](C(=O)O)[C@H](C)CC(=O)NNC(=O)c1ccccc1 2250612 LCUWJBCVSJTRGG-UKRRQHHQSA-N 334.416 2.611 50 40 EFGB CC(C)(Oc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccccc1 3559650 BFZUJBWMBILEEZ-UHFFFAOYSA-N 332.787 2.959 50 40 EFGB COc1ccc(N2C(S)=C(C#N)C(=O)N[C@H]2c2ccco2)cc1 4116941 LBVCPVJJTNENHT-CQSZACIVSA-N 327.365 2.588 50 40 EFGB CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC=C(C#N)C#N 3367995 VXBNRVRTYSXFST-UHFFFAOYSA-N 344.440 2.983 50 40 EFGB O=C(N/N=C/c1coc2ccc(Cl)cc2c1=O)c1ccc(O)cc1 15934450 WOVDIZKRMKBTGE-UFWORHAWSA-N 342.738 2.916 50 40 EFGB COc1cc(/C=N/NC(C)=O)cc(Br)c1OC(C)C 409012562 KIJGYYUFVLRYIU-VIZOYTHASA-N 329.194 2.715 50 40 EFGB COc1ccc(/C=N/NC(=O)CCc2ccccc2)c(OC)c1OC 6127490 DBKIPNBBCQFHRX-DEDYPNTBSA-N 342.395 2.795 50 40 EFGB CCOc1ccc(/C=N\NC(=O)COc2ccccc2Cl)c(O)c1 13576000 JXXRBJARKVJJOF-GRSHGNNSSA-N 348.786 2.973 50 40 EFGB CCC(CC)=NNC(=O)C(=O)Nc1cccc(Br)c1 59515750 NBYTVHXKXHSXCO-UHFFFAOYSA-N 326.194 2.680 50 40 EFGB Cc1ccc(NCC(=O)NNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c(C)c1 107325495 SZZLXOTWWJNPAT-JYJNAYRXSA-N 329.444 2.689 50 40 EFGB O=C(COc1ccc2oc3c(c2c1)CCCC3)NNc1ncccn1 44717080 DKYOAASFUJFNQU-UHFFFAOYSA-N 338.367 2.624 50 40 EFGB Cc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(F)cc3)CC2=O)cc1 409153190 LPENNTFISKSTNB-ZGFXFUDXSA-N 339.370 2.637 50 40 EFGB CCOC(=O)c1c(NC(=O)CCl)sc2c1CC(C)(C)N(C)C2 500356 JBJWMDLOHXUSJP-UHFFFAOYSA-N 344.864 2.869 50 40 EFGB COc1cccc(C(=O)N/N=C(/C)c2ccc(OC)c([N+](=O)[O-])c2)c1 408568682 WBRKHCBDTUTFHR-WQRHYEAKSA-N 343.339 2.766 50 40 EFGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cccc(C)c1 409268106 ZQCDQBVIYHZAIE-XDHOZWIPSA-N 337.335 2.679 50 40 EFGB COC(=O)COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1 33328103 NVZVGBJLFYKKLM-GRSHGNNSSA-N 346.770 2.656 50 40 EFGB CCc1ccc2c(c1)/C(=N\NC(=O)c1ccccc1Cl)C(=O)N2 8445889 DPFJVTPFEMIXST-UHFFFAOYSA-N 327.771 2.989 50 40 EFGB NN[P@](=O)(OCc1ccccc1)N(CCCl)CCCl 104199497 ZMQKSLATAFRMCW-IBGZPJMESA-N 326.164 2.554 50 40 EFGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)/C(=C/c1ccccc1)CCO 1772324 XPKGGEHXWXHRPJ-BLAZZTHISA-N 339.351 2.511 50 40 EFGB COC(=O)COc1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc1 408871254 YMAGBIGFAWAOLL-OYEXAURXSA-N 344.411 2.515 50 40 EFGB CCCc1nn2c(/C=C(\C#N)C(N)=O)c(-c3ccccc3)nc2s1 41074197 PHHXWPUCZNLVCG-FMIVXFBMSA-N 337.408 2.803 50 40 EFGB NNC(=O)CCc1ccc(OCc2ccc(Br)cc2)cc1 226345140 IPAMQENDXWGKQC-UHFFFAOYSA-N 349.228 2.951 50 40 EFGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1C 409118949 QPZVFEFGXKULKQ-SFHVURJKSA-N 336.347 2.951 50 40 EFGB O=C(N/N=C/c1ccc(Br)cc1)[C@@H](O)c1ccccc1 3024909 ZKUCDFJDAPTQRJ-FBJMNJBLSA-N 333.185 2.633 50 40 EFGB C=CCc1cccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1O 13382038 PMQPTNMVMMWQTO-WQRHYEAKSA-N 325.324 2.793 50 40 EFGB C=CCOc1cccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c1 8107366 AICCERVMXMREJS-TYJAPOHBSA-N 338.363 2.542 50 40 EFGB N#CC1=C(N)N(c2ccccc2)[C@H]([C@H]2C[C@H]3C=C[C@H]2C3)C1(C#N)C#N 100161849 LAAMVVDACMVNFP-ILXVDBEPSA-N 327.391 2.815 50 40 EFGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 220727 MEKDOKUWWXWKDJ-VCHYOVAHSA-N 327.340 2.741 50 40 EFGB C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)c1cccs1 100523014 UZJXPGZMPKDJBT-XDHOZWIPSA-N 344.440 2.949 50 40 EFGB C/C(=N\NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 4806514 XIYZFSZCCKFDKX-SRZZPIQSSA-N 347.777 2.749 50 40 EFGB COc1cc(Cl)c(/C=N/NC(=O)CNc2ccccc2)cc1OC 409377696 KNARVRNQNXRTSY-KEBDBYFISA-N 347.802 2.919 50 40 EFGB CCOC(=O)[C@@H]1CCC/C1=N\NC(=O)CSCc1ccccc1 408719590 GWYQEGYMVMEIPA-GBUWSYLDSA-N 334.441 2.755 50 40 EFGB O=C(CNc1ccccc1)N/N=C/c1ccc(O)c(Br)c1 44395820 HWYXFDMFERCWNV-GIJQJNRQSA-N 348.200 2.717 50 40 EFGB COc1cc(OC)cc(C(=O)N/N=C/c2cn(C)c3ccccc23)c1 582026 XYHFIAGYBNBKIG-RGVLZGJSSA-N 337.379 2.959 50 40 EFGB COc1cc(/C=C/C(=O)NN)cc(Cl)c1OCc1ccccc1 226335162 XFWOJMLWXMOKRT-BQYQJAHWSA-N 332.787 2.931 50 40 EFGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc(F)cc1 3413055 FMTNANUCNYYREL-VXLYETTFSA-N 332.331 2.615 50 40 EFGB COc1cc(Cl)c(/C=N/NC(=O)COc2ccccc2)cc1OC 66202151 GUCOBTSCEJCNOE-VXLYETTFSA-N 348.786 2.886 50 40 EFGB COc1cc(/C=N/NC(=O)c2ccccc2C)c([N+](=O)[O-])cc1OC 95528 BAADNYGNZZRVFA-VCHYOVAHSA-N 343.339 2.684 50 40 EFGB Cc1ccccc1O[C@H](C)C(=O)N/N=C/c1ccc(C(=O)O)cc1 4544368 QSNRVCHTOUJFQQ-OTGIAGGSSA-N 326.352 2.611 50 40 EFGB Cc1sc2nc(CC(=O)NN=C3CCCCCC3)[nH]c(=O)c2c1C 8045577 RQDRDPIUROFVLU-UHFFFAOYSA-N 346.456 2.970 50 40 EFGB O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C\c1ccccc1Cl 32675361 ZECFHAOTRMQZAE-MFOYZWKCSA-N 333.731 2.777 50 40 EFGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)cc1 6183153 FOJYVTLJZINMMO-RIYRZUHRSA-N 342.395 2.752 50 40 EFGB O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1ccccn1 341866 NZRSATICINEBKM-UHFFFAOYSA-N 331.375 2.675 50 40 EFGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1sccc1C 6783767 ATWUESLMDZAAEC-LLVKDONJSA-N 338.816 2.920 50 40 EFGB CCOC(=O)C/C(C)=N\NC(=O)COc1cc(C)ccc1C(C)C 101358383 SYWBSOKFMOWQBZ-RGEXLXHISA-N 334.416 2.943 50 40 EFGB Cn1cc(C(=O)NNC(=O)c2cc3ccccc3n2C)c2ccccc21 55448471 OGMDNHUCRTZUSC-UHFFFAOYSA-N 346.390 2.745 50 40 EFGB CCNc1ccc(C(=O)N/N=C(\C)c2ccccc2O)cc1[N+](=O)[O-] 102979679 CKPYMTPFIWJRKP-YBFXNURJSA-N 342.355 2.886 50 40 EFGB CCCCCCCCn1c(O)c(C(=O)NN)c(=O)c2ccccc21 2276297 CXCOIRSHNFGUQJ-UHFFFAOYSA-N 331.416 2.671 50 40 EFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)C)c32)cc1 5633521 MMYJDXIBCTZVLX-CYBMUJFWSA-N 338.367 2.538 50 40 EFGB Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2 9575713 YGUSHPNPEFANLS-UHFFFAOYSA-N 344.367 2.719 50 40 EFGB COc1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)cc1 8228868 NOBLNHWYXARODQ-XDHOZWIPSA-N 326.352 2.620 50 40 EFGB O=C(NNC(=O)c1cccc2c3c([nH]c12)CCCCC3)c1cccnc1 30552374 NKONPVBDBJNPIF-UHFFFAOYSA-N 348.406 2.907 50 40 EFGB N#Cc1cc2c([n+]3c1SC[C@H]3CBr)C1CCN2CC1 27567 MNOSTYNYXXDMOG-LLVKDONJSA-N 337.266 2.585 50 40 EFGB CC(C)C(=O)N/N=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 58883301 NPXKXGJJNMVIGI-NDENLUEZSA-N 345.443 2.620 50 40 EFGB CCOC(=O)C1=C(C)OC(O)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 107722022 ZZHBVANFZFQRCM-CQSZACIVSA-N 330.296 2.839 50 40 EFGB N#CC1=C(N)n2ncnc2N[C@@H]1c1cccc(Oc2ccccc2)c1 18199292 LDJBMLFWAIZORN-MRXNPFEDSA-N 330.351 2.888 50 40 EFGB COc1ccc(CC(=O)N/N=C/c2ccc(Br)o2)cc1 5513672 CQBOBJLEQLOVSN-CXUHLZMHSA-N 337.173 2.744 50 40 EFGB COc1cc2c(cc1/C=N/NC(=O)Nc1ccc(C)cc1)OCO2 409051281 BLUFBBIRJQTKGU-GIJQJNRQSA-N 327.340 2.888 50 40 EFGB O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1ccccc1F 409147954 XCPPPZVEHNFMEY-CIAFOILYSA-N 345.349 2.565 50 40 EFGB Cc1cc(C(F)(F)F)nn1CC(=O)N/N=C/c1ccc(F)s1 252488117 IKAUOMMRQQECDU-YAXRCOADSA-N 334.298 2.561 50 40 EFGB N#CC1=C[C@H](Br)[C@@]23C[C@]12[C@@H](Br)C=C3C#N 100484430 UIZAZOJTTAAYEA-XWLWVQCSSA-N 325.991 2.817 50 40 EFGB O=C(N/N=C/c1ccccn1)c1ccc(N/N=C/c2ccccn2)cc1 5119544 XNNJCZXGVINYJO-MSKUYSOUSA-N 344.378 2.687 50 40 EFGB C[C@]12CO[C@]3(C(=O)NNc4ccc([N+](=O)[O-])cc4)C[C@H]1CC[C@]23C 9042546 JXPWGQRXSSSLGE-BEMMVCDISA-N 331.372 2.633 50 40 EFGB CCOC(=O)c1sc(NC(C)=O)c(C#N)c1CBr 3171910 UKHJHPOTPHHLPP-UHFFFAOYSA-N 331.191 2.650 50 40 EFGB CCOc1ccc(C(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1 20764083 KOTQURNRVWZZJG-WOJGMQOQSA-N 343.339 2.766 50 40 EFGB Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)C3CC3)cc12 6551297 NZHBLKPCPAWTOC-UHFFFAOYSA-N 340.408 2.566 50 40 EFGB CCOc1ccc(/C(C)=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 409048919 UOMBVKPOKUUGBM-WOJGMQOQSA-N 343.339 2.853 50 40 EFGB CC1=Nc2ccccc2[C@@H](c2ccc(Cl)cc2)N1CC(=O)NN 97165220 CRIJAWJNUMNANF-QGZVFWFLSA-N 328.803 2.785 50 40 EFGB Cc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 409136879 YUAPFJLGXVRZBC-FYJGNVAPSA-N 341.386 2.735 50 40 EFGB COc1cccc(-c2n[nH]c3c2[C@@H](c2ccncc2)C(C#N)=C(N)O3)c1 5817957 XIPDYBYUOOWKEP-HNNXBMFYSA-N 345.362 2.698 50 40 EFGB Cc1ccc(N2C[C@H](C(=O)N/N=C/c3cccs3)CC2=O)cc1 60559 CNBGSSMOLCPUGI-HVOBPNNYSA-N 327.409 2.560 50 40 EFGB C[C@@H](OCc1ccccc1)[C@H]1C(=O)OC(=O)N1C(=O)OC(C)(C)C 100045581 JKERFCFKSYDKBY-YPMHNXCESA-N 335.356 2.874 50 40 EFGB O=C(CCC(=O)c1cccs1)NNC(=O)c1ccc(Cl)cc1 3612838 OGQOHJIDDZOKIN-UHFFFAOYSA-N 336.800 2.826 50 40 EFGB CC(=O)C1=C(O)C(=O)N(CCBr)[C@H]1c1ccccc1F 17995319 NNKLQPRVQKFIED-LBPRGKRZSA-N 342.164 2.505 50 40 EFGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(Cl)cc1 408726494 OCXLMCYXZRVPRY-UFWORHAWSA-N 331.759 2.631 50 40 EFGB CCOc1cc(/C=C(/C#N)C(N)=S)c(Br)cc1O 408541817 FAQMCQIVIXHNJK-BAQGIRSFSA-N 327.203 2.746 50 40 EFGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 5289299 DJOGRGJSNBGFKD-MHWRWJLKSA-N 328.284 2.657 50 40 EFGB COc1ccc(/C=N\NC(=O)COc2cccc(Cl)c2)c(OC)c1 14923346 HMRQPTPODMVIFN-GRSHGNNSSA-N 348.786 2.886 50 40 EFGB CCC[C@@H](C)N(NC(C)=O)c1nc(Cl)nc(NC(C)(C)C)n1 4535096 PHRPCRNFRRBYTG-SECBINFHSA-N 328.848 2.782 50 40 EFGB COc1ncccc1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1 69742392 QIVLJBYROUKWJV-UHFFFAOYSA-N 345.746 2.551 50 40 EFGB CCOC(=O)NNC(=O)c1ccccc1C(=O)c1ccc(C)cc1 32909258 MZTWYCGOSMPKAW-UHFFFAOYSA-N 326.352 2.617 50 40 EFGB C/C(CC(=O)Nc1ccc(Cl)cn1)=N\NC(=O)Cc1ccccc1 101544355 PSKKXXHCVBHRDL-CIAFOILYSA-N 344.802 2.798 50 40 EFGB CCOC(=O)[C@H](/C(C)=N\NC(=O)Cc1ccc(OC)cc1)C(C)C 4508696 QZXZCCNDTXTMLL-NFBGKYEXSA-N 334.416 2.565 50 40 EFGB Cc1cccc(OCCCC(=O)NNC(=O)c2ccc(F)cc2)c1 6510401 KUKLKHUWSBUQAG-UHFFFAOYSA-N 330.359 2.754 50 40 EFGB Cc1ccc(C)c(OCC(=O)N/N=C/c2c(C)cc(O)cc2O)c1C 18210731 ZCBZGUWJRAVXOI-AWQFTUOYSA-N 342.395 2.861 50 40 EFGB COc1ccc2[nH]cc(/C=C(\C#N)C(=O)NCc3cccnc3)c2c1 61719745 PYRVVBODBGHODD-VGOFMYFVSA-N 332.363 2.795 50 40 EFGB Cc1ccc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)c1 19818196 QHMKIXUOAUYQTO-RTBURBONSA-N 343.434 2.659 50 40 EFGB Cc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1C 525197 ZTXLREOSHQRMNS-LZYBPNLTSA-N 333.369 2.802 50 40 EFGB Cc1cc(OCCCC(=O)NNC(=O)c2ccncc2)ccc1Cl 12896240 UGTIRTLDHBFXTJ-UHFFFAOYSA-N 347.802 2.664 50 40 EFGB Cc1cccc(N2C[C@@H](C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2=O)c1 7929056 BFSNWBWRFUAEJU-ZDUSSCGKSA-N 340.335 2.862 50 40 EFGB O=C(Cc1ccccc1)N/N=C/c1cc(Br)c(O)cc1O 1098646 NLKSWLJCJZGZBM-RQZCQDPDSA-N 349.184 2.553 50 40 EFGB C[C@]12CC3CC(C(=O)NNC(=O)c4ccncc4)(C1)C[C@](C)(C3)C2 100328945 ZTSHSSNDOHFIHR-HSOIFAIESA-N 327.428 2.839 50 40 EFGB CCOC(=O)NNC(=O)CCn1c2c(c3ccccc31)CCCC2 1822971 VQHFAVMHTSXTQC-UHFFFAOYSA-N 329.400 2.688 50 40 EFGB CCOC(=O)[C@H](CC)/C(C)=N\NC(=O)COc1cc(C)cc(C)c1 408947864 BMOAFBNPFPKVLI-BAACNHRGSA-N 334.416 2.764 50 40 EFGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 104811045 YUCLWOFWIASITD-PTNGSMBKSA-N 337.379 2.529 50 40 EFGB CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1OC 58871425 PGNLYOVXCLPUHK-WOJGMQOQSA-N 343.339 2.766 50 40 EFGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1 8043085 DIRFIFLDEAOXPE-DEDYPNTBSA-N 343.814 2.941 50 40 EFGB O=C(c1ccc2c(c1)C(=O)OC2=O)c1ccc(Cl)c([N+](=O)[O-])c1 100098926 VCTWEULIAGCQGT-UHFFFAOYSA-N 331.667 2.790 50 40 EFGB Cc1ccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2F)cc1 218991 ZZGAHYQPEBXKHJ-DJKKODMXSA-N 330.319 2.605 50 40 EFGB CCOC(=O)c1nc2c(o1)NC(N)=C(C#N)[C@H]2c1ccccc1Cl 125989 KCZUSYBXBGXVQA-LLVKDONJSA-N 344.758 2.756 50 40 EFGB O=c1[nH]c(=S)n2c(c1-c1ccccc1)O[C@H](CBr)C2 6575827 CIWYNBFHKWNZQH-SECBINFHSA-N 339.214 2.729 50 40 EFGB CCOc1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2O)cc1 10623223 DPJGJZMMAAYGMH-UHFFFAOYSA-N 334.759 2.519 50 40 EFGB COc1ccc(C(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1 4751062 RHBMEMASOHLMPU-CAOOACKPSA-N 349.730 2.726 50 40 EFGB COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(F)cc2)cc1 4904266 PBRIMNCEQAZGHW-CIAFOILYSA-N 343.358 2.969 50 40 EFGB CC1=CC(=O)[C@@H](Cl)[C@](C)(Cl)/C1=N/S(=O)(=O)c1ccccc1 105600277 OEFOIRDIQFJSAZ-ZRLJBHDLSA-N 346.235 2.950 50 40 EFGB CC(C)CNC(=O)CC(=O)N/N=C/c1ccc(Cl)cc1Cl 59367551 KOYNTQIYVBOMPW-QGMBQPNBSA-N 330.215 2.606 50 40 EFGB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@@H](C)Br 2106005 WHGSOHNKNMRDEK-ZLDLUXBVSA-N 337.261 2.913 50 40 EFGB biogenic COc1ccc(/C(C)=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 408568452 URQGVOGDBAODPW-WOJGMQOQSA-N 343.339 2.766 50 40 EFGB COc1ccc(CNS(=O)(=O)[C@@H]2CCCC[C@H]2Cl)cc1OC 65493926 YHODIRTYJYFZRP-IUODEOHRSA-N 347.864 2.673 50 40 EFGB CCS(=O)(=O)[C@@H](Br)[C@@H](O)c1cccc(Cl)c1 96519079 SRQSZUHDYUWLOX-VHSXEESVSA-N 327.627 2.529 50 40 EFGB O=C(N/N=C/c1c[nH]nc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 260778 QYKUQUBCCLBIOV-YBFXNURJSA-N 335.323 2.749 50 40 EFGB CCCC(CCC)=NNC(=O)C(=O)Nc1ccc(C(=O)OCC)cc1 59434194 ZVBKSAWTXUGRGS-UHFFFAOYSA-N 347.415 2.874 50 40 EFGB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/NNC(=O)c1ccccc1 344739 UAWVVCLFVIBULK-SFQUDFHCSA-N 348.406 2.844 50 40 EFGB C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)C(C)C 409363412 WMNDHFHHJXNZJB-GQCTYLIASA-N 338.223 2.569 50 40 EFGB CC(C)c1ccc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)cc1 28632371 JMBKDMVNXBNTLQ-GDWLKWCGSA-N 349.434 2.790 50 40 EFGB O=C(NNC(=O)c1cc2c(s1)-c1ccccc1CC2)c1cccnc1 7038974 SNEFKJDZEHKTHT-UHFFFAOYSA-N 349.415 2.984 50 40 EFGB Cc1ccc(C[C@H]2CCN(C(=O)/C(C#N)=C/C(C)C)C[C@H]2O)cc1 585290398 VZKLRHMAOMHEPD-KLZKLYFASA-N 326.440 2.853 50 40 EFGB COc1ccc(NC(=S)NNC(=O)c2ccccc2Cl)cc1 5274157 QOCFFSPEIGFPMI-UHFFFAOYSA-N 335.816 2.980 50 40 EFGB COc1cccc(/C=C(\C#N)C(=O)NCCc2ccccc2)c1OC 16411642 MMKPCEWCXZLKPS-GHRIWEEISA-N 336.391 2.970 50 40 EFGB C[C@H](Oc1ccccc1Br)C(=O)N/N=C/c1cccnc1 59460 RZXZMCKQEIJOMT-HPAYWCODSA-N 348.200 2.762 50 40 EFGB Cc1cccc(NCC(=O)N/N=C/c2ccc(Br)o2)c1 223456 MJTPYOYSCOIISB-CAOOACKPSA-N 336.189 2.913 50 40 EFGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(O)c1 126302 HACFIWVTDRPMQQ-RQZCQDPDSA-N 349.184 2.927 50 40 EFGB COc1ccccc1C(=O)NNC(=O)Cc1cccc2ccccc12 290018 RJERBMLYSGYXOX-UHFFFAOYSA-N 334.375 2.852 50 40 EFGB CCN1C(=O)/C(=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21 100192332 DFPLALYTXHFDBA-XDJHFCHBSA-N 327.771 2.841 50 40 EFGB O=C(NNC(=O)[C@H]1Cc2ccccc2S1)c1cc2c(s1)CCC2 10124542 BHXQQXCQLMPODI-CQSZACIVSA-N 344.461 2.715 50 40 EFGB COc1ccc([N+](=O)[O-])cc1NC(C#N)=C1C(=O)c2ccccc2C1=O 149287 ZKFZPSNKPQNUFO-UHFFFAOYSA-N 349.302 2.872 50 40 EFGB Cc1cc(C)nc(NNC(=O)c2cc(C3CC3)nn2-c2ccccc2)n1 11334200 HZVAFSNCKYERGN-UHFFFAOYSA-N 348.410 2.913 50 40 EFGB C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccc(N(C)C)o1 6182807 IKCVMLIFBSJIPP-HPAYWCODSA-N 335.791 2.917 50 40 EFGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(N)=O)c2)c(C)c1 409222540 DYVNIRGDZXGMIB-SXGWCWSVSA-N 349.390 2.713 50 40 EFGB N#CC1=C(N)Nc2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1 4311508 OVSNTMIHKLMZPR-HNNXBMFYSA-N 332.323 2.653 50 40 EFGB CCOc1ccc(/C=N/NC(=O)c2ccc(OC)cc2O)cc1OC 409391802 LLKOVBIPHYXACQ-YBFXNURJSA-N 344.367 2.572 50 40 EFGB COc1ccccc1O[C@H](C)CNC(=O)/C(C#N)=C\c1ccco1 81098799 CGKMXKYTABQUNU-JFBXQDQPSA-N 326.352 2.779 50 40 EFGB O=C(C[n+]1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1 3192297 XDORIGUDHIJEMS-RCCKNPSSSA-O 332.383 2.917 50 40 EFGB COc1ccccc1/C=N/NC(=O)Nc1ccc2nsnc2c1 16228348 CIHADROWAQJAAO-CXUHLZMHSA-N 327.369 2.856 50 40 EFGB COc1ccc(/C=N/NC(=O)c2ccc3[nH]c(C)nc3c2)cc1OC 1436679 WSJAMZQTSCPJLY-VXLYETTFSA-N 338.367 2.652 50 40 EFGB N#C/C(=C/c1ccco1)C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 75137919 QETGFFJJXHSWHX-WTKPLQERSA-N 343.726 2.810 50 40 EFGB COc1ccc(CCCC(=O)N/N=C/c2cccc(O)c2O)cc1C 59212 FAPCFHZJALNLQP-UDWIEESQSA-N 342.395 2.888 50 40 EFGB NNC(=O)c1cc(-c2ccccc2OCc2ccccc2Cl)n[nH]1 35576336 KVBKXURZSFQTQA-UHFFFAOYSA-N 342.786 2.913 50 40 EFGB Cc1nn(C)c(C)c1[C@@H]1[C@@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 2769532 PTYGVKYRDGUFHC-PBHICJAKSA-N 332.411 2.631 50 40 EFGB Cc1c(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)sc(=S)n1C 4507048 FKBPVRANERTSSP-VGOFMYFVSA-N 336.398 2.797 50 40 EFGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cn(C)c3ccccc23)c1 582537 HRQHRNROXBXVJT-RGVLZGJSSA-N 334.379 2.901 50 40 EFGB COc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1O 59154 ROHKWLNGJMOMGI-VXLYETTFSA-N 328.368 2.547 50 40 EFGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1cccc([N+](=O)[O-])c1 33094 TYJBEEYVKBOMIZ-GIJQJNRQSA-N 332.747 2.810 50 40 EFGB Cc1ccn2c(C(=O)N/N=C/c3ccc(N(C)C)cc3)c(C)nc2c1 58883751 LSYBQKGXQZRFHS-UDWIEESQSA-N 335.411 2.781 50 40 EFGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(O)cc2O)cc1 572057 UEKUCMJZCXZUCU-RGVLZGJSSA-N 342.395 2.924 50 40 EFGB CCOc1cc(C(=O)N/N=C/c2ccc[nH]2)cc(OCC)c1OCC 3527019 LAMKDXYGLXSVIG-UDWIEESQSA-N 345.399 2.975 50 40 EFGB CCOc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1OCC 19851671 GJRXDNKSHJVVAN-UHFFFAOYSA-N 342.424 2.702 50 40 EFGB CNC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(C(=O)O)cc1 408959637 CIOYRRYYXRQLCY-YBEGLDIGSA-N 336.347 2.617 50 40 EFGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(OC)c1O 30822114 KWHAHSNZDYXMBG-NVMNQCDNSA-N 334.759 2.827 50 40 EFGB COc1ccc(CC(=O)N/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1 33329003 WHRBMLXNZKVWEF-ZDLGFXPLSA-N 347.758 2.950 50 40 EFGB Cn1nc(-c2ccccc2)cc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 253398868 HTHLDTLACSHVAA-SFHVURJKSA-N 346.390 2.902 50 40 EFGB O=C(N/N=C/c1ccccc1O)C1(O)c2ccccc2-c2ccccc21 189193 RCCCTMMUPJMZLZ-LPYMAVHISA-N 344.370 2.759 50 40 EFGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 50353 JXSPZZWYPSDCHI-GIJQJNRQSA-N 332.747 2.810 50 40 EFGB CN(C)c1ccc(/C=N/NC(=O)CCc2nc3ccccc3[nH]2)cc1 506936 QLNYZXVCLSNAEM-DEDYPNTBSA-N 335.411 2.712 50 40 EFGB COc1ccc(-n2nc(C(=O)NN)cc2-c2ccc(C)c(C)c2)cc1 59472494 VMGJSVQSLWTJOQ-UHFFFAOYSA-N 336.395 2.768 50 40 EFGB CC(/C=N\NC(=O)c1nc([N+](=O)[O-])n[nH]1)=C\c1ccc(C(C)C)cc1 33939486 IMLBMHOIPZXYPP-NZXACYLXSA-N 342.359 2.655 50 40 EFGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 345161 IRLCFOCXBWYOBZ-WOJGMQOQSA-N 343.339 2.523 50 40 EFGB COc1ccc(/C=C(/C#N)C(=O)N/N=C/c2ccc(OC)cc2)cc1 1560790 UWYUJRQTXQASMK-ZCZOCWKKSA-N 335.363 2.761 50 40 EFGB O=C(NNC(=O)c1ccccc1Br)NC1CCCCC1 6336124 OAGSYWYVIFNKFM-UHFFFAOYSA-N 340.221 2.726 50 40 EFGB COc1ccc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@]32C)cc1[N+](=O)[O-] 100377358 OUKPYGIDMBTLKE-MHHLJNGASA-N 331.372 2.880 50 40 EFGB Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)o1 13007665 GRNUTOMTCOANKF-CYBMUJFWSA-N 338.363 2.970 50 40 EFGB CCOC(=O)C1=C(C)OC(O)=C(C#N)[C@@H]1c1ccc([N+](=O)[O-])cc1 408729772 CSYJPRRCEGRTMH-AWEZNQCLSA-N 330.296 2.839 50 40 EFGB C/C(=N\NC(=O)c1ccc(C)cc1)c1cc2ccc(O)cc2oc1=O 4548452 OJEHPYCHURQKNL-UDWIEESQSA-N 336.347 2.961 50 40 EFGB Cn1c(=O)n(C)c2cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)ccc21 408568327 IYOAMWGIXREOMP-GHXNOFRVSA-N 347.353 2.957 50 40 EFGB Cc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] 408599604 XGJWTBWZHSGDGI-CXUHLZMHSA-N 328.284 2.575 50 40 EFGB C=C1CC(C(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)C1 408733590 LGGNNJVPMFAYAO-FRKPEAEDSA-N 339.189 2.580 50 40 EFGB COc1ccc(/C=N/NC(=O)c2ccccc2N)cc1Br 130081 XOKQYWBLKISSTD-GIJQJNRQSA-N 348.200 2.804 50 40 EFGB Cc1ccc(C)c(NC(=S)NNC(=O)CNc2ccccc2)c1 7352092 TUZLIYALBMOUTO-UHFFFAOYSA-N 328.441 2.733 50 40 EFGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@H](C(C)C)C(C#N)=C(N)O2 2202363 JQHXHISDWQFLOZ-OAHLLOKOSA-N 325.368 2.624 50 40 EFGB COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1ccccn1 409250662 ROKGILPOVCKFHV-KGENOOAVSA-N 338.411 2.844 50 40 EFGB CC/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1cc(F)ccc1O 13135127 RZRHDIRUPDRIPS-UOBPLZBXSA-N 344.342 2.602 50 40 EFGB CCc1oc2ccccc2c1/C=C(\C#N)c1nc(N)nc(N(C)C)n1 8748806 FPYPVCDNILGBPP-PKNBQFBNSA-N 334.383 2.893 50 40 EFGB Cn1cccc1/C=N\NC(=O)[C@@H]1COc2ccc(C(C)(C)C)cc2O1 31853539 SYDRAPDZDBQQQL-BCUAHEQISA-N 341.411 2.613 50 40 EFGB CCN(Cc1ccccc1I)C(=O)CCl 38542120 SUXGCLJIEOLCIW-UHFFFAOYSA-N 337.588 2.879 50 40 EFGB COc1ccc(/C=N/NC(=O)c2cn3cc(Cl)ccc3n2)cc1 575442366 DPPSNLCDMFSPBN-QGMBQPNBSA-N 328.759 2.760 50 40 EFGB CCn1ncc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)c1F 252501936 UMBNYFFEEMXMGJ-VXOKVKMJSA-N 334.782 2.949 50 40 EFGB CCOC(=O)C[C@@H](NC(=O)CCl)c1ccc(Br)cc1 1616033109 LMLWUPXPZJQJQA-LLVKDONJSA-N 348.624 2.798 50 40 EFGB O=C(N/N=C\c1ccc(O)c(Br)c1)c1ccccc1O 169886712 XEMRXYGGLOPCJZ-PXNMLYILSA-N 335.157 2.624 50 40 EFGB CCCCCC(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1 6263969 QSFGUQYUCALORU-UHFFFAOYSA-N 327.837 2.556 50 40 EFGB O=C(Oc1ccc(OS(=O)(=O)CCl)cc1)c1ccccc1 54965317 IFJUBQFSCXWKEK-UHFFFAOYSA-N 326.757 2.811 50 40 EFGB COc1ccccc1/C=N/NC(=O)COc1cccc2cccnc12 59503452 HBWDKFNCVZMAGI-CIAFOILYSA-N 335.363 2.773 50 40 EFGB CCN(CC)c1ccc(/C=N\NC(=O)c2ccc(C)nc2)c(O)c1 12411687 MWQSHSPWZYYYHQ-NDENLUEZSA-N 326.400 2.706 50 40 EFGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(C)o2)cc1 58892929 WWXGRWPKTLDMRY-DAQNXSASSA-N 330.384 2.951 50 40 EFGB Oc1ccccc1/C=N/NC1=N[C@@H]2CC[C@H](Br)[C@H]2S1 257346819 ZTXKTTBSRATLGU-APZKWRKASA-N 340.246 2.713 50 40 EFGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cccc(O)c1 3577088 IUEDELIQGAUGSA-ZVBGSRNCSA-N 337.301 2.973 50 40 EFGB C[C@H](Br)[C@H](O)c1cc2c(cc1Br)OCO2 1622009 ATLHCIZOBPXMBG-RRAGMBSWSA-N 337.995 2.995 50 40 EFGB CCOc1ccc(/C=N/NC(=O)c2ccc3[nH]cnc3c2)cc1OC 551828 VQGPRKYDWIKANQ-UFFVCSGVSA-N 338.367 2.734 50 40 EFGB O=C(COc1cccc(Cl)c1)NN=Cc1ccc2c(c1)OCO2 9908279 YCSBSCIARFOWEB-UHFFFAOYSA-N 332.743 2.598 50 40 EFGB COc1cc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)ccc1O 12843975 LTJAUWCZDMEMGS-KEBDBYFISA-N 342.395 2.855 50 40 EFGB COC[C@H](C)OC(=O)/C(C#N)=C\c1coc2ccc(Cl)cc2c1=O 4646992 QWQWZBIJSDWAJE-QIMWGGGBSA-N 347.754 2.931 50 40 EFGB CCCCCCCCOc1cc(Br)cc(B(O)O)c1 725240004 TUAAXDOREJIYPS-UHFFFAOYSA-N 329.043 2.868 50 40 EFGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)cc1 6183686 FOJYVTLJZINMMO-MMVIWPHWSA-N 342.395 2.752 50 40 EFGB COC(=O)c1ccccc1N/C=C(/C#N)C(=O)NCc1ccccc1 101394566 HMNTYVBFSKXHEF-SQFISAMPSA-N 335.363 2.609 50 40 EFGB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)C1CC1 2637079 WMTIAVJZWTUMSP-DEDYPNTBSA-N 337.427 2.641 50 40 EFGB CCOc1cc(C=C(C#N)C#N)ccc1OCC(=O)N1CCCC1 802446 YKOCWRIQSCNFHG-UHFFFAOYSA-N 325.368 2.517 50 40 EFGB O=C(/C=C/c1ccccc1Br)NNC(=O)c1ccco1 8354900 ZVFPFIVUQQMQCF-BQYQJAHWSA-N 335.157 2.517 50 40 EFGB CC1(C)[C@]2(C)CC[C@]1(C(=O)NNc1ccc([N+](=O)[O-])cc1)CC2=O 100834600 QIMGWNHCXOHOAH-IAGOWNOFSA-N 331.372 2.823 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2C)c(O)c1 150382 PYRPCWHIZCSGHT-VXLYETTFSA-N 328.368 2.547 50 40 EFGB CC1(C)[C@H]2C[C@@H]3C[C@H](C(=O)O)[C@H](C(=O)O)C[C@@]3(C2)[C@@H]1Br 5103447 CETNOZJJQQHALZ-QNZLCJKOSA-N 345.233 2.998 50 40 EFGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccccc1Cl 59433933 ABFFDXXZYAWQQR-VXLYETTFSA-N 345.786 2.746 50 40 EFGB Cc1cc(C(=O)NNC(=O)c2ccoc2)c(C)n1-c1ccc(F)cc1 12557814 IAOIYWCLOFCHPP-UHFFFAOYSA-N 341.342 2.901 50 40 EFGB CN(NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccccc1 8358171 VUUQSBMYIVXYLD-HNNXBMFYSA-N 327.409 2.657 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)c2ccc3c(c2)OCO3)cc1OC 13111664 LGZPSQXRINTFHJ-YBFXNURJSA-N 342.351 2.587 50 40 EFGB COCCNC(=O)/C(C#N)=C/c1ccc(N2Cc3ccccc3C2)cc1 5738289 SKIJGJYMDFSDKD-XDHOZWIPSA-N 347.418 2.876 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)COc2ccccc2C)cc1OC 135160 LMGFQZUBUGKZGM-XSFVSMFZSA-N 342.395 2.931 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)COc2ccccc2C)c(OC)c1 5344025 RTGNTPPLVBOIKL-XSFVSMFZSA-N 342.395 2.931 50 40 EFGB COc1cccc(/C=N/NC(=O)[C@H](C)Sc2ccccn2)c1OC 188511 XFVMPWDNBGMAAU-MKFNJMOCSA-N 345.424 2.730 50 40 EFGB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)[C@@H](C)Br 4025705 WHGSOHNKNMRDEK-KYOSRNDESA-N 337.261 2.913 50 40 EFGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccccc1F 2630779 WXXPKRRIWNWNPX-UHFFFAOYSA-N 336.750 2.628 50 40 EFGB COc1ccccc1NC(=O)NNC(=S)Nc1ccccc1OC 2640227 OGUCCXSFVPWQDU-UHFFFAOYSA-N 346.412 2.727 50 40 EFGB Cc1ccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)cc1C 6330030 HCINJARSHTXHFJ-UHFFFAOYSA-N 343.408 2.664 50 40 EFGB COC[C@@H](C)NC(=O)/C(C#N)=C\c1cc(Br)cs1 96669436 WAOVSSAFPXKBQQ-MMEMACFNSA-N 329.219 2.569 50 40 EFGB CCN(CC)C(=O)/C(C#N)=C\c1cc(Br)c(N(C)C)o1 408850567 CDWFGGWWKRPHNL-YFHOEESVSA-N 340.221 2.883 50 40 EFGB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1C[C@@H](O)[C@]2(O)C#N 70669870 ZYVHLUFQSVBNFH-GAYLIBHVSA-N 329.440 2.744 50 40 EFGB biogenic N#CC1=C(N)n2ncnc2N[C@@H]1c1cccc(OCc2ccccc2)c1 18199238 OTQIUQZVJOTZFN-QGZVFWFLSA-N 344.378 2.675 50 40 EFGB Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 568845 AZCIHZPLZORNLB-UHFFFAOYSA-N 333.731 2.631 50 40 EFGB CCOC(=O)C1=C(C)NC(C#N)=C(C(C#N)C#N)[C@@H]1c1ccccc1 100251534 BNCFJTNIDXHIDV-GOSISDBHSA-N 332.363 2.652 50 40 EFGB COc1ccc(C(C)=NNC(=O)Cn2c(C)nc3ccccc32)cc1 254500053 RFPPGOFOECGRNA-UHFFFAOYSA-N 336.395 2.894 50 40 EFGB COc1ccc(C(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)cc1 8228851 BCGXRGOMISFHPQ-UDWIEESQSA-N 325.368 2.808 50 40 EFGB COc1ccc(/C(C)=N\NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1OC 46759 HMKALECSZOPDIM-ODLFYWEKSA-N 344.415 2.878 50 40 EFGB Cc1cccc2c1NC(=O)/C2=N\NC(=O)c1cc2ccccc2cc1O 6557028 VMBWXJLKGNYECJ-UHFFFAOYSA-N 345.358 2.940 50 40 EFGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])n2c1 59444048 WPWWUNATIKUSGT-GIJQJNRQSA-N 337.339 2.623 50 40 EFGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(C)cc1 408608073 VBFUJJBVOBRYFG-CQSZACIVSA-N 340.408 2.553 50 40 EFGB Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H]1COc2ccccc2C1 71905724 RRRVFBOAYGJLKY-CQSZACIVSA-N 347.846 2.720 50 40 EFGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cccc(O)c1 3579863 ASWDROSSRNQPDH-UDWIEESQSA-N 334.379 2.959 50 40 EFGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\c1ccncc1)CO2 31853504 HAIKPVBPMHLLAJ-QREGZJMFSA-N 339.395 2.669 50 40 EFGB Cc1cccc(NCC(=O)N/N=C\c2c[nH]nc2-c2ccccc2)c1 55121101 UEAKQEWUTPLXQL-NHDPSOOVSA-N 333.395 2.947 50 40 EFGB Cc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2Cl)c1 2135457 HVILEAXBTQXEHU-UHFFFAOYSA-N 347.827 2.598 50 40 EFGB CN(C)c1ccc(/C=N/NC(=O)/C(=C/c2ccccc2)CCO)cc1 2301989 ROVDDPYVCKRPII-VUYRMCIOSA-N 337.423 2.669 50 40 EFGB Cc1cc(C(=O)NNC(=O)/C=C/c2nc3ccccc3o2)c(C)o1 22600638 RCYKUPRZPKRNKU-BQYQJAHWSA-N 325.324 2.512 50 40 EFGB Cn1nc(-c2ccccc2)cc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 253398867 HTHLDTLACSHVAA-GOSISDBHSA-N 346.390 2.902 50 40 EFGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)CCc1ccccc1 14134446 NQUBNUAWDWLLLV-RCCKNPSSSA-N 336.391 2.790 50 40 EFGB Cc1ccsc1[C@@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)CCC2 109163 UATOIQQAKKKGEC-CQSZACIVSA-N 328.441 2.633 50 40 EFGB COc1cccc(/C=N/NC(=O)COc2cccc(Cl)c2)c1OC 353727 QPLHUTNXEOJQCA-VXLYETTFSA-N 348.786 2.886 50 40 EFGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccc(C)cc1 494597 FIFLWKSVDBEXSG-CQSZACIVSA-N 332.787 2.859 50 40 EFGB CCn1cc(/C=N/NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cn1 2797749 SZMJQHUJUBFZGF-GIJQJNRQSA-N 334.807 2.864 50 40 EFGB COCCNC(=O)C(=O)NN=C1CCCCCCCCCCC1 58885626 OYVAUDDCJPDVRD-UHFFFAOYSA-N 325.453 2.526 50 40 EFGB C[N+](C)(Cc1ccccc1)C[C@H](Br)CSC(=N)N 4425001 BTSNWLWGGYJWQB-LBPRGKRZSA-N 331.303 2.653 50 40 EFGB O=C(NNC(=O)c1ccccc1Cc1ccccc1)c1cccnc1 6542982 XWCMJVYZAHWDCX-UHFFFAOYSA-N 331.375 2.747 50 40 EFGB C[C@@H](SCc1ccccc1)C(=O)N/N=C1\C(=O)Nc2ccccc21 5729962 YJWJNRWQELFTKE-GFCCVEGCSA-N 339.420 2.781 50 40 EFGB CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(Br)o1 408846131 IQASVJGWFDJESC-UTCJRWHESA-N 347.994 2.800 50 40 EFGB O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc2ccccc2n1 36171548 QEHWZOIKOHYPIK-VCHYOVAHSA-N 336.307 2.613 50 40 EFGB OB(O)c1c(OCc2ccccc2)cccc1OCc1ccccc1 1857794504 QGSUABLNUYIWHB-UHFFFAOYSA-N 334.180 2.524 50 40 EFGB CN1CCCC[C@@H]1C(=O)N/N=C/c1cc(Br)ccc1F 67406 DCNUVDNSEWJHGD-LFMVTYOGSA-N 342.212 2.523 50 40 EFGB Cc1cc(OCC(=O)NNC(=O)Cc2ccccc2)cc(C)c1Cl 319070 XOLGGBUCUPSPKB-UHFFFAOYSA-N 346.814 2.726 50 40 EFGB CC(C)N1CC=C2[C@H](C1)[C@@H](c1ccccc1)C(C#N)=C(N)C2(C#N)C#N 1073883 UHGQDQCGBDOXBI-HKUYNNGSSA-N 343.434 2.820 50 40 EFGB CCOC(=O)NN/C(C)=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F 101466561 YHLVWBTWORONBD-SNAWJCMRSA-N 340.195 2.543 50 40 EFGB Cc1c(C(=O)NNC(=O)Cc2noc3ccccc23)oc2ccccc12 17449422 PYVOUVDBPYAUBL-UHFFFAOYSA-N 349.346 2.886 50 40 EFGB CC1(C)CC(=O)C=C(NNC(=O)c2ccc(Br)cc2)C1 16134070 YVTWJVWHAMDZRJ-UHFFFAOYSA-N 337.217 2.957 50 40 EFGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccc(Cl)cc1 216953962 XYTYGNLFLNVGPW-UHFFFAOYSA-N 327.771 2.895 50 40 EFGB CCc1ccc(OCC(=O)N/N=C(\C)c2ccc(O)cc2O)cc1 13119212 FSZRFZJWJKIMLG-XDHOZWIPSA-N 328.368 2.579 50 40 EFGB C[C@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)c2cccc(O)c2)o1 84688934 SETOCIGDGQRTFG-XHDPSFHLSA-N 328.368 2.502 50 40 EFGB COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCC#N 408980437 WPFRJJAMBRWNRL-OQLLNIDSSA-N 336.351 2.658 50 40 EFGB Cc1cccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N(C)C)c1 408995499 AQFPLYLDOUYQSD-WOJGMQOQSA-N 326.356 2.733 50 40 EFGB Cc1ccc(NC(=O)C(=O)N/N=C\c2c(F)cccc2Cl)cc1 136929051 KKFAPXQBKAELNJ-OCKHKDLRSA-N 333.750 2.876 50 40 EFGB COc1ccc(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)cc1 5381572 RSISYYANTBPNNW-LDADJPATSA-N 327.340 2.686 50 40 EFGB CCOc1cc(/C=N\NC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1O 30822068 IRYSPIRBYJZRDZ-NVMNQCDNSA-N 347.302 2.602 50 40 EFGB O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccc(Cl)cc1 568867 RTSGCBCJQWIIMP-UHFFFAOYSA-N 339.178 2.833 50 40 EFGB CCOCc1cc(C(=O)NNc2ccccc2[N+](=O)[O-])ccc1OC 32780762 OLLVLNJISFBUGC-UHFFFAOYSA-N 345.355 2.897 50 40 EFGB C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)C1C(=O)c2ccccc2C1=O 100505474 DIUYJGLUCJWLBP-QSBCOWLBSA-N 346.386 2.978 50 40 EFGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)c1 4629473 AVBFPHCHBIBEQB-MRXNPFEDSA-N 345.358 2.755 50 40 EFGB CCOc1ccccc1/C=N/NC(=O)c1ccc(OC)cc1OC 33718287 VWQZCOLQVMCMOB-XDHOZWIPSA-N 328.368 2.866 50 40 EFGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccncc3)o2)c1 408723026 PRABMZBNDSMOLZ-CIAFOILYSA-N 349.346 2.892 50 40 EFGB Cc1cccc(C(=O)NNC(=O)c2ccc(Br)cc2)c1 343024 DOJRVCPNASNQET-UHFFFAOYSA-N 333.185 2.832 50 40 EFGB O=C(COc1ccccc1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 502762 XFMSPDWQLLSPRU-RQZCQDPDSA-N 333.731 2.777 50 40 EFGB ClCCN(CCCl)/N=C/C=N/N(CCCl)CCCl 1695271 JHTSLXQJZAERLU-IAGONARPSA-N 336.094 2.517 50 40 EFGB CC(C)(C)NC(=S)NNC(=O)Cc1cccc(C(F)(F)F)c1 8301674 NEFFVTYFKIVPQK-UHFFFAOYSA-N 333.379 2.542 50 40 EFGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccncc1 12688522 MBMYBQMJTWAJEU-UHFFFAOYSA-N 338.392 2.588 50 40 EFGB Cc1nn(C)c2sc(C(=O)NNc3ccccc3[N+](=O)[O-])cc12 14217504 XNJKXRGHGUCZSO-UHFFFAOYSA-N 331.357 2.608 50 40 EFGB C=CCOc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 33735772 ABVWNOJZRHAXSX-UYRXBGFRSA-N 339.351 2.852 50 40 EFGB COCCOC(=O)/C(C#N)=C/c1cc(Br)ccc1F 5068627 LRLRHMXCBHSWLS-UXBLZVDNSA-N 328.137 2.685 50 40 EFGB COc1ccccc1NC(=O)/C(C#N)=C1\C(=O)N(C)c2ccccc21 59146077 BWWTXDFHESBGCH-LGMDPLHJSA-N 333.347 2.587 50 40 EFGB N#CC1=C(N)N(/N=C/c2ccccc2)[C@@H](c2ccccc2)C1(C#N)C#N 500254 AUBYSFDBSAOOQJ-SAMQYFKISA-N 338.374 2.805 50 40 EFGB O=C(NC1=NN(c2ccccc2)C(=O)C1)[C@@H](Cl)c1ccccc1 1764562 VNNUKGVFOAAURY-INIZCTEOSA-N 327.771 2.833 50 40 EFGB Cc1csc(CC(=O)NNC(=O)CSc2ccc(C)c(C)c2)n1 8983821 XNCDUHIXJLJCDF-UHFFFAOYSA-N 349.481 2.551 50 40 EFGB CCCc1[nH]nc2c1[C@@H](c1cc(OC)ccc1F)C(C#N)=C(N)O2 6499321 PXAHVWVNRPPMBT-AWEZNQCLSA-N 328.347 2.728 50 40 EFGB CC1=C(C#N)C(=O)NC(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 15944739 UATULEVCPVJYBX-ZSOIEALJSA-N 349.302 2.735 50 40 EFGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccccc1[N+](=O)[O-] 409362288 ITYCNAABZXGWOK-GIJQJNRQSA-N 332.747 2.810 50 40 EFGB CCCn1nccc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253408865 YVIOGFUCBBOPIQ-OAHLLOKOSA-N 326.400 2.744 50 40 EFGB COc1ccc(C(=O)[C@H](Cl)[C@H](SCCCl)C(=O)O)cc1 5513617 LJFLRVNETZRAHB-JQWIXIFHSA-N 337.224 2.911 50 40 EFGB N#C/C(=C\c1ccc(Br)cc1)C(=O)NC[C@@H]1CCCO1 16437402 IAIZTWSXRGEZSZ-BCNIOPEESA-N 335.201 2.651 50 40 EFGB CCCOc1c(Br)cc(/C=N/NC(N)=O)cc1OCC 7233681 UKVHGTHEDGHZIP-LZYBPNLTSA-N 344.209 2.639 50 40 EFGB Cc1nn(C)cc1-c1cc(C(F)(F)F)n2nc(C(=O)Cl)cc2n1 2564267 JWHTYEPKQZKWIN-UHFFFAOYSA-N 343.696 2.836 50 40 EFGB CCN(NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1ccc(C)cc1 45140615 LCZLEMJVKMQBAX-INIZCTEOSA-N 339.443 2.559 50 40 EFGB COc1ccc(Cl)cc1C(=O)NNC(=S)NC1CCCCC1 13685436 SIJSNQPTOYRNHF-UHFFFAOYSA-N 341.864 2.790 50 40 EFGB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NNC(=O)c1ccc(Cl)cc1 568864 JNCSZIUZYSTDTQ-RUDMXATFSA-N 345.742 2.723 50 40 EFGB N#Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1 59417034 CMHDOHJICCJHMG-VXLYETTFSA-N 335.392 2.677 50 40 EFGB O=C(C[n+]1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1 2232561 IHLGKLOMBWLUIW-PXLXIMEGSA-O 346.410 2.703 50 40 EFGB Cc1cccc(C(=O)NNC(=O)c2cc3c(s2)CCCC3)c1O 12680488 KMWPTUYELCNRFY-UHFFFAOYSA-N 330.409 2.716 50 40 EFGB CC(C)c1ccc(/C=N/NC(=O)c2nc3ccccc3c(=O)[nH]2)cc1 4865264 DXMVXEINXWVCCM-RGVLZGJSSA-N 334.379 2.810 50 40 EFGB CCN(CC)c1ccc(/C=N/NC(=O)COc2ccccc2C)o1 408997684 SJQCBAGFOHZDSH-XDHOZWIPSA-N 329.400 2.963 50 40 EFGB Cc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(C)n1C 408785939 KFOHWYBLNDJSGF-SRZZPIQSSA-N 336.395 2.719 50 40 EFGB CCOc1ccc(C(=O)N/N=C/c2cc(OC)ccc2OC)cc1 5475468 KWVWBGZYRYSKEE-XDHOZWIPSA-N 328.368 2.866 50 40 EFGB N#C[C@H](NNC(=O)Cc1ccccc1)c1c(O)ccc2ccccc12 1633710 YYJNDSBCWFLUBU-KRWDZBQOSA-N 331.375 2.974 50 40 EFGB C=CCOc1ccccc1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1 59385991 SDMKVQIAMZWDHJ-CPNJWEJPSA-N 339.351 2.852 50 40 EFGB CN(C)CCCNCCP(=O)(c1ccccc1)c1ccccc1 2257094 CPJAZTSNFIFUMP-UHFFFAOYSA-N 330.412 2.542 50 40 EFGB Cc1ccccc1C(=O)N1CCC(C(=O)N/N=C/c2ccco2)CC1 409005729 KIFPYMXXUFECIG-DEDYPNTBSA-N 339.395 2.591 50 40 EFGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1cccs1 408605959 NRWSCHSKECBZOO-GFCCVEGCSA-N 346.437 2.696 50 40 EFGB CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccco2)cc1[N+](=O)[O-] 9502198 OFGLGYNXNMTKLC-UHFFFAOYSA-N 331.328 2.560 50 40 EFGB COc1cccc2c1C(=O)c1c(O)c(CCl)cc(OC)c1C2=O 5767880 HBJIPEXEAYGBJG-UHFFFAOYSA-N 332.739 2.924 50 40 EFGB CC1=C2C(=C(CBr)OS1(=O)=O)C(=O)c1ccccc12 1669229 RUGGDSLNLDLGRK-UHFFFAOYSA-N 341.182 2.623 50 40 EFGB Cc1nn(C)cc1-c1cc(C(F)(F)F)n2ncc(C(=O)Cl)c2n1 2564276 VIQJJZMZSFCHNO-UHFFFAOYSA-N 343.696 2.836 50 40 EFGB CC1(C)[C@]2(C(=O)N/N=C/c3ccccc3Cl)CC[C@@]1(C)C(=O)O2 1448366 WLNBFMDKZABLNM-XBGDJPNVSA-N 334.803 2.912 50 40 EFGB Cc1cc(C)cc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1 3190401 NGDKZYWTYURVMD-VCHYOVAHSA-N 327.340 2.741 50 40 EFGB CC(=O)c1cccc(S(=O)(=O)/N=C(O)/C(C#N)=C\c2ccco2)c1 48559985 ATFGKLWHEMVQNX-JYRVWZFOSA-N 344.348 2.735 50 40 EFGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)/C=C/c1cccs1 8239610 FBBYCQKGWXWIAJ-FBOQAHMBSA-N 334.372 2.515 50 40 EFGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)NCC 408819728 RLKRDBVHWHZBLC-XYOKQWHBSA-N 333.185 2.504 50 40 EFGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)c(OC)c1 408885314 ZFJFTTRXVMHGLP-OQLLNIDSSA-N 338.363 2.633 50 40 EFGB CC[C@H](Br)C(=O)NCCC(=O)Nc1ccc(C)c(C)c1 8733228 QZVMPXVFOJBZPV-ZDUSSCGKSA-N 341.249 2.922 50 40 EFGB CCOc1cc(/C=N/NC(=O)c2cccs2)cc([N+](=O)[O-])c1O 36040329 FXFFYZQCTRNTHS-OVCLIPMQSA-N 335.341 2.525 50 40 EFGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N2CCCCCC2)cc1 3301021 QDLIDFBNBLBRIG-FOWTUZBSSA-N 342.395 2.548 50 40 EFGB CCOc1ccc(C(=O)NNc2nc(C)cc(C)n2)cc1OCC 12846811 NFDIEOVLMOUWNP-UHFFFAOYSA-N 330.388 2.648 50 40 EFGB Cc1ccccc1OCC(=O)n1c(C)c(C(=O)NN)c2ccccc21 216723749 OSOLCUYSMWEYNJ-UHFFFAOYSA-N 337.379 2.581 50 40 EFGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(SC)cc1 5721233 LZJKWWAVERHXBW-WOJGMQOQSA-N 343.408 2.506 50 40 EFGB N#CCCn1cc(/C=C(\C#N)C(=O)O)c(-c2ccc(F)c(F)c2)n1 6652631 YBZKOLHOMUUEFO-IZZDOVSWSA-N 328.278 2.734 50 40 EFGB O=C(N/N=C/c1c(F)cccc1Cl)[C@H]1COc2ccccc2O1 3475476 AAGYDLGDRQYWMF-ODGHKMFZSA-N 334.734 2.769 50 40 EFGB CCCc1[nH]nc2c1[C@@H](c1c(OC)cccc1OC)C(C#N)=C(N)O2 5130812 LJBHLUXLFOKWEV-AWEZNQCLSA-N 340.383 2.598 50 40 EFGB O=C(CBr)NC[C@@H](OCC1CC1)c1cccc(F)c1 95097942 IYQPPZBFMQDSFX-CYBMUJFWSA-N 330.197 2.805 50 40 EFGB N#CC(C#N)=C(C#N)c1ccc(-c2cnc(N3CCOCC3)s2)o1 101002718 YNCFLBHUMISGTK-UHFFFAOYSA-N 337.364 2.564 50 40 EFGB CCOC(=O)NNC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 39516407 UGLRRQNEDFKVIC-UHFFFAOYSA-N 336.779 2.533 50 40 EFGB COc1ccc(/C(O)=C\C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408718325 RWZCVDGBORDUTO-IRYLMLMTSA-N 341.323 2.918 50 40 EFGB CCOc1ccc(/C=N\NC(=O)COc2ccccc2)cc1OC 32223221 QDHNDUCDELYEHV-UNOMPAQXSA-N 328.368 2.623 50 40 EFGB CCS(=O)(=O)[C@H](Cl)C(=O)c1ccc(Br)cc1 96517787 CMQWMGJVSZCJSF-JTQLQIEISA-N 325.611 2.631 50 40 EFGB COc1ccccc1N[C@@H]1SC(=O)N(CCBr)C1=O 12113028 UTUIKDBQHLIADQ-SNVBAGLBSA-N 345.218 2.524 50 40 EFGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1O 7892338 PXVGRCMNAOVOEH-CAOOACKPSA-N 349.730 2.726 50 40 EFGB O=C(N/N=C/c1ccccc1C(=O)O)c1cccc(Br)c1 2446253 BKFMPVOLEXPTSV-RQZCQDPDSA-N 347.168 2.911 50 40 EFGB N#C/C(=C/c1ccc(OCc2cccc(F)c2)cc1)C(=O)NC(N)=O 409231358 CIHLFCHKNRJYGX-ZSOIEALJSA-N 339.326 2.507 50 40 EFGB COc1cc(OC)cc([C@@H]2C(C#N)=C(N)OC3=C2CCCC3=O)c1 125599 IFXKJIPTIYDWCM-INIZCTEOSA-N 326.352 2.519 50 40 EFGB C[C@@H](Br)C(=O)NCC1(c2ccccc2)CCOCC1 545658 UCUNJRBFRWXLPO-GFCCVEGCSA-N 326.234 2.634 50 40 EFGB COc1cc(C(=O)N/N=C\C=C\c2ccco2)cc(OC)c1OC 17067655 SFXKGXOPUGRNFE-VDZUBFLMSA-N 330.340 2.734 50 40 EFGB CCC1CCC(C(=O)NNC(=O)c2cc(-c3ccco3)[nH]n2)CC1 6419735 ABIBXAMAEJYHJG-UHFFFAOYSA-N 330.388 2.647 50 40 EFGB Cn1cccc1-c1cc(C(=O)N/N=C/c2ccccc2Cl)[nH]n1 9087970 CZLMUCHZLCIFLT-VCHYOVAHSA-N 327.775 2.833 50 40 EFGB CC1=CC(=O)[C@@](C)(Cl)[C@@H](Cl)/C1=N\S(=O)(=O)c1ccccc1 16779892 UHWRYZLXKOEAKV-ALRNZDJHSA-N 346.235 2.950 50 40 EFGB Cc1cc(C)nc(NNC(=O)c2nc(-c3ccco3)sc2C)n1 30625312 MKYADQQULVYFMA-UHFFFAOYSA-N 329.385 2.875 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2c(C)cccc2C)c(OC)c1 221184 JWUFXASQIZUQQT-RGVLZGJSSA-N 342.395 2.850 50 40 EFGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])s1 357683 OBVMLDZPGDRNMD-VIZOYTHASA-N 339.760 2.839 50 40 EFGB Cc1ccc(NC(=O)NCCCl)cc1NC(=O)NCCCl 1709815 WROOVDGVVQEBLC-UHFFFAOYSA-N 333.219 2.716 50 40 EFGB C[C@H]1Cc2cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2O1 408710856 QAYJHXLJAMHSDF-TZQXVGBESA-N 325.324 2.682 50 40 EFGB Cc1ccc(NC(=O)NNC(=O)Cc2ccccc2[N+](=O)[O-])c(C)c1 17071506 BEEUFEBFZOHLBV-UHFFFAOYSA-N 342.355 2.607 50 40 EFGB COCCOC(=O)/C(C#N)=C/c1cc(F)c(N2CCCC2)cc1C 34701220 SNTGRLDZVMDJED-XNTDXEJSSA-N 332.375 2.831 50 40 EFGB CC1(C)[C@H](O)[C@@]2(Br)CC[C@]1(CC#N)[C@@H]2Br 85398931 SNSPGLYSSKESNT-MPKXCIJOSA-N 337.055 2.978 50 40 EFGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccc(Cl)cc2)c1O 3093326 MKVFWHIGTPZBIR-CAOOACKPSA-N 349.730 2.726 50 40 EFGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(N2CCCC2)cc1 7384003 VAAPDCSLAHHDJU-UDWIEESQSA-N 337.379 2.779 50 40 EFGB N[C@@H](CCCc1ccc(N(CCCl)CCCl)cc1)C(=O)O 2033385 YSSSVODKUJTKAF-AWEZNQCLSA-N 333.259 2.705 50 40 EFGB CCOc1cc(/C=N/NC(C)=O)cc(Br)c1OCC 409019465 ZFKGQDOOMBPQCD-OVCLIPMQSA-N 329.194 2.717 50 40 EFGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1ccc(F)cc1 4784534 POVMVPISYLHJLS-RGVLZGJSSA-N 338.342 2.789 50 40 EFGB CCOc1ccc(C(=O)N/N=C/c2cc(OCC)ccc2O)cc1 20765100 HFALETFTCICUPB-XDHOZWIPSA-N 328.368 2.954 50 40 EFGB Cc1ccc([C@@](O)(CBr)C(=O)CBr)cc1 2144085 XIYIOFGVQCXODA-NSHDSACASA-N 336.023 2.542 50 40 EFGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccccc1 4502842 JBLMNISPBCWYQZ-AWEZNQCLSA-N 340.408 2.635 50 40 EFGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1ccccc1C 9201135 BWDIUDKTBGQMIK-VCHYOVAHSA-N 343.339 2.684 50 40 EFGB N#CC1=C(N)N(/N=C\c2ccccc2)[C@H](c2ccccc2)C1(C#N)C#N 31870889 AUBYSFDBSAOOQJ-BGYGTFJPSA-N 338.374 2.805 50 40 EFGB O=C(NNC(=O)c1ccccc1Br)c1ccc(F)cc1 258397 FUVZZBABUNVERT-UHFFFAOYSA-N 337.148 2.663 50 40 EFGB COc1cc(C(=O)N/N=C(\C)c2cccs2)cc(OC)c1OC 4964831 ACCOVNKWKSEZPB-LICLKQGHSA-N 334.397 2.928 50 40 EFGB CC(C)CNC(=O)CSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1 6306826 SYXDBEUKAGJZGW-AWEZNQCLSA-N 343.452 2.531 50 40 EFGB CCOc1ccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)cc1OC 6964087 HDCYRALOXVYCJQ-WMRWHDLOSA-N 337.379 2.851 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2cccc3cccnc23)cc1 59503458 GRHRBGISUVVKAQ-CIAFOILYSA-N 335.363 2.773 50 40 EFGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1 20247879 RGISJTINRQNEHG-LICLKQGHSA-N 329.381 2.978 50 40 EFGB CCOc1ccccc1NC(=O)N/N=C\c1ccc(O)c([N+](=O)[O-])c1 408904653 MRZYJZPBSQJZQJ-YVLHZVERSA-N 344.327 2.855 50 40 EFGB CCOc1cccc(/C=N\NC(=O)COc2cccc(C)c2C)c1O 30774163 XJVCGANKHAPROH-JAIQZWGSSA-N 342.395 2.937 50 40 EFGB CCN(C[C@@H]1CCN(C(=O)CCl)C1)C(=O)OCc1ccccc1 79411913 BTXJDVPBEVYMJS-HNNXBMFYSA-N 338.835 2.732 50 40 EFGB CC(C)N(C(=O)OCc1ccccc1)[C@H]1CCN(C(=O)CCl)C1 79411985 ALXDRNCBCKHUMT-HNNXBMFYSA-N 338.835 2.873 50 40 EFGB C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1ccc(F)cc1 48588 LNUCJGZFTUIPIS-UDWIEESQSA-N 332.404 2.865 50 40 EFGB O=C1OC(=O)c2ccccc2/C1=N\Nc1ccc(Cl)c(C(=O)O)c1 100441896 YPTPJVTZSGDTLX-CPNJWEJPSA-N 344.710 2.551 50 40 EFGB CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccsc4)[C@H]3[C@H]1CC2 4473489 FJJCTRCHQLJSEN-DXEWXGHRSA-N 347.447 2.634 50 40 EFGB O=c1c2ccccc2n2c(CCl)nnc2n1Cc1ccc(F)cc1 408712835 VPYYUQVKWDCTMA-UHFFFAOYSA-N 342.761 2.970 50 40 EFGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1Br)c1ccncc1 408588127 HYUBGTNZJKGHLZ-LZYBPNLTSA-N 349.144 2.516 50 40 EFGB O=C(CSc1nc2ccccc2o1)N/N=C\c1ccccc1O 12375305 UPEJEEATILALTP-MFOYZWKCSA-N 327.365 2.776 50 40 EFGB C[C@H](C(=O)N/N=C/c1ccccc1Cl)n1nnc2ccccc21 124615 OAABKKWHMSLVFX-VDCVXVNISA-N 327.775 2.796 50 40 EFGB O=C(CSCc1ccccc1)N/N=C/c1cccc2c1OCCO2 58915517 SRGDFFLXVACXFU-YBFXNURJSA-N 342.420 2.841 50 40 EFGB O=C(NN(Cc1ccccc1)Cc1ccccc1)c1ccc(O)nn1 33028315 RZPHRUVQQJRLAZ-UHFFFAOYSA-N 334.379 2.529 50 40 EFGB COC(=O)c1nc(NNC(=O)C(F)(F)F)sc1-c1ccccc1 536484 IIDHNVALJWIETF-UHFFFAOYSA-N 345.302 2.602 50 40 EFGB C[C@H](Sc1nc2ccccc2s1)C(=O)NN=C1CCN(C)CC1 55048511 WSJQJZOSPJSCST-NSHDSACASA-N 348.497 2.975 50 40 EFGB Cc1ccc(N2C[C@H](C(=O)N/N=C/c3ccccc3)CC2=O)cc1C 409153148 HIERUNCEHCOMKN-KKJJZKEWSA-N 335.407 2.807 50 40 EFGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@H]2[C@H]1c1ccc(Cl)cc1 5570082 FTVQTJNIFPGIEH-CWSCBRNRSA-N 342.708 2.611 50 40 EFGB O=C(N/N=C\c1cccs1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4471694 DPHRWPSMQBGDJW-HCGGYXKBSA-N 347.827 2.905 50 40 EFGB Cc1c(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cccc1[N+](=O)[O-] 59447404 GMMKLUDBOHOVGN-CXUHLZMHSA-N 328.284 2.575 50 40 EFGB C[C@@H](Oc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1)C(=O)O 59247754 QFMNHAVJJPSLLX-VURRPDKYSA-N 346.770 2.956 50 40 EFGB COc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1C 109046890 HZKHAMLLZPPQMO-WQRHYEAKSA-N 327.340 2.605 50 40 EFGB Cn1c(CC(=O)N/N=C/c2c(F)cccc2F)nc2ccccc21 36274942 QPCLYMCVPWNABI-KEBDBYFISA-N 328.322 2.544 50 40 EFGB COCCn1c(C)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c1C 4544648 UDJXNNHGYQQUCL-SRZZPIQSSA-N 342.374 2.526 50 40 EFGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1 6312446 WZXXUOAFYITLJJ-YBFXNURJSA-N 340.339 2.707 50 40 EFGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@H](c1ccco1)C(C#N)=C(N)O2 2350996 NMYYQPSKGHZMMV-INIZCTEOSA-N 349.346 2.609 50 40 EFGB O=C(NNS(=O)(=O)c1ccc2ccccc2c1)NC1CCCCC1 3361124 OLOCHOJLCYBODN-UHFFFAOYSA-N 347.440 2.665 50 40 EFGB CCOc1ccc(CC(=O)N/N=C(\C)c2ccc(O)cc2O)cc1 408711638 CKLSPXFQAYHNQX-XDHOZWIPSA-N 328.368 2.579 50 40 EFGB COC(=O)N1CCC(=NNC(=O)c2cc3c(s2)CCCCC3)CC1 83891338 KTMYSRFQHOQBTO-UHFFFAOYSA-N 349.456 2.965 50 40 EFGB CCN(C[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)CCl 79392670 UAYRPUGQPXCGDC-HNNXBMFYSA-N 338.835 2.875 50 40 EFGB C/C(N)=C(/C#N)C(=O)COC(=O)CCSc1ccc(Cl)cc1 5987432 MISSBGZVGXRJES-JLHYYAGUSA-N 338.816 2.691 50 40 EFGB CCOc1ccc(/C(C)=N\NC(=O)c2n[nH]c3c2CCCC3)cc1 16945813 RTSAKAHNILCYCY-UNOMPAQXSA-N 326.400 2.841 50 40 EFGB Cc1ccccc1OCC(=O)NNC(=O)Nc1ccc(Cl)cc1 130146 AVASVPPTKGGPIP-UHFFFAOYSA-N 333.775 2.880 50 40 EFGB aggregator Cc1cc2c(c(=O)o1)[C@@H](c1ccnc3ccccc13)C(C#N)=C(N)O2 499243 JHZAYTWBWXJGMH-INIZCTEOSA-N 331.331 2.715 50 40 EFGB N#C/C(=C/c1ccc(Cl)cc1)C(=O)Nc1ccc(C(N)=O)cc1 3269318 MECQGGBCJIYHKH-LCYFTJDESA-N 325.755 2.985 50 40 EFGB COc1cccc(/C=N/NC(=O)CSCc2ccccc2)c1O 313778 IJOFJUOKPFXIPK-VCHYOVAHSA-N 330.409 2.784 50 40 EFGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)Cc2ccccc2)cc1 100923039 WWYOYKFWUWHQLK-KGENOOAVSA-N 339.395 2.759 50 40 EFGB C[C@]12CO[C@@]3(C(=O)NNc4ccc([N+](=O)[O-])cc4)C[C@H]1CC[C@@]32C 100924530 JXPWGQRXSSSLGE-GLZXHMCRSA-N 331.372 2.633 50 40 EFGB O=C(COc1ccc(Cl)cc1)NN=Cc1cccc([N+](=O)[O-])c1 11582338 DWMIBBDDJJNOJZ-UHFFFAOYSA-N 333.731 2.777 50 40 EFGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccc(O)c(Cl)c1 409260369 PJWRKXQPUHDNQB-DJKKODMXSA-N 345.786 2.751 50 40 EFGB CCOC(=O)C1=C2c3ncccc3ON2[C@H](Cl)[C@H](Cl)[C@@H]1Cl 4235750 REIFVINDTGDQJR-LNLATYFQSA-N 349.601 2.759 50 40 EFGB biogenic COc1ccc(S[C@@H](C)C(=O)NNc2nc(C)cc(C)n2)cc1 44974585 LXFYYRUGSYTGAA-LBPRGKRZSA-N 332.429 2.726 50 40 EFGB Cc1cccc(NC(=O)N/N=C\c2ccc(N3CCOCC3)o2)c1C 409021224 ZFRPMQAAZXFEHX-UNOMPAQXSA-N 342.399 2.889 50 40 EFGB O=C(Cn1cncn1)N/N=C/c1c2ccccc2cc2ccccc12 547297 VOSSNDIFQDRPCM-UFFVCSGVSA-N 329.363 2.735 50 40 EFGB C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1cc(C)oc1C 58651857 KMJKQUVMCUHGGR-XDHOZWIPSA-N 332.429 2.936 50 40 EFGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C1/C(=O)Nc2ccccc21 6007807 LNAAVCAALFLYLP-SNVBAGLBSA-N 343.770 2.580 50 40 EFGB CC(C)CC[C@@H](C(=O)O)[C@@H](C)CC(=O)NNC(=O)c1ccccc1 2250610 LCUWJBCVSJTRGG-DZGCQCFKSA-N 334.416 2.611 50 40 EFGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 478768 DFLKGVMLSQAYIL-VXLYETTFSA-N 339.351 2.528 50 40 EFGB CCOc1ccc(N[C@H](CC)C(=O)N/N=C/c2cccnc2)cc1 2748122 KVEGEHKNVYGTGG-UOBPLZBXSA-N 326.400 2.821 50 40 EFGB C[C@]1(C(=O)OC[C@@H]2CCCN3CCCC[C@H]23)C[C@@H]1Br 4061175 BXPSMNAXFOSEKJ-XFMPKHEZSA-N 330.266 2.968 50 40 EFGB biogenic O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 409125751 FDBUFAWENVKFDI-CIAFOILYSA-N 345.349 2.565 50 40 EFGB CCOc1cc2c(cc1/C=N/NC(=O)Nc1ccccc1)OCO2 409106859 NATQCMWFMFIEDA-VCHYOVAHSA-N 327.340 2.970 50 40 EFGB Cc1n[nH]c2c1[C@@H](c1cc(Cl)c(O)c(Cl)c1)C(C#N)=C(N)O2 16265989 WNAWEAUCOBBOMW-NSHDSACASA-N 337.166 2.949 50 40 EFGB COc1cc(/C=N/NC(=O)c2cccc(C)c2)cc(OC)c1OC 62638 YLLKAPUWVROLKN-YBFXNURJSA-N 328.368 2.785 50 40 EFGB CC1=NN(C(=O)c2ccccc2)[C@@](C)(NNC(=O)c2ccccc2)C1 52681 QOWIXBAPAHRTTO-LJQANCHMSA-N 336.395 2.559 50 40 EFGB CO[C@@H](C(=O)N/N=C/c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 408719565 GGWHWFTUUMLNDK-YCPFAOKUSA-N 327.340 2.741 50 40 EFGB N#C/C(=C/c1ccc(N2CCOCC2)cc1)C(=O)NCc1ccccc1 6190249 SWYFQHSAPYZDTJ-RGEXLXHISA-N 347.418 2.747 50 40 EFGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)c1ccccc1F 408739709 DUCBNEHXQWSQNC-BBJIBYMTSA-N 338.342 2.580 50 40 EFGB COc1cccc(/C=N/NC(N)=O)c1OCc1cccc(Cl)c1 41223885 VEJQDZZOJYFEHA-DJKKODMXSA-N 333.775 2.930 50 40 EFGB Cc1cccn2c(=O)c(C=C(C#N)C#N)c(N3C[C@H](C)C[C@@H](C)C3)nc12 74367 DBCFRHLCCWNANZ-ZIAGYGMSSA-N 347.422 2.916 50 40 EFGB Cc1cc(OCC(=O)NNC(=O)Nc2ccccc2)ccc1Cl 504870 MWILYKKCMNGZMT-UHFFFAOYSA-N 333.775 2.880 50 40 EFGB Cc1cc(NC(=O)/C(C#N)=C2\C(=O)Nc3ccc(Cl)cc32)no1 61718132 FBHWVAFMBWFNEE-RAXLEYEMSA-N 328.715 2.504 50 40 EFGB C/C(CC12CC3CC(CC(C3)C1)C2)=N\NC(=O)CN1CCCC1=O 58679834 VSLBFPAXVBTNJS-DEDYPNTBSA-N 331.460 2.707 50 40 EFGB Cc1cs/c(=N/N=C/c2ccc([N+](=O)[O-])cc2)n1C(=O)CCl 4476695 PXKMXUXVVSRGSA-HLVCTGTRSA-N 338.776 2.580 50 40 EFGB O=C(/C=C/c1cnn(-c2ccccc2)c1)NNc1ccccc1[N+](=O)[O-] 14109762 HTIYONXLMFXXMX-ZHACJKMWSA-N 349.350 2.937 50 40 EFGB ClCCN(CCCl)c1ccc(CCN2CCOCC2)cc1 95752431 PLJPUGPODBREGN-UHFFFAOYSA-N 331.287 2.845 50 40 EFGB O=C(NNC(=O)c1ccc(F)cc1Br)c1cccs1 8184746 XQVWBDLMSFBXCH-UHFFFAOYSA-N 343.177 2.725 50 40 EFGB O=C(NC[C@H]1CCOC1)NNc1nc(Cl)c(Cl)cc1Cl 47068326 AUKSRSSCURWXCT-ZCFIWIBFSA-N 339.610 2.704 50 40 EFGB Cc1cccc(OCC(=O)n2cc(C(=O)NN)c3ccccc32)c1C 216724957 JLFXENYKFSCHQE-UHFFFAOYSA-N 337.379 2.581 50 40 EFGB Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1ccccc1N 210600009 QFEHOCFAYQNYMP-MTJSOVHGSA-N 333.395 2.835 50 40 EFGB COC(=O)[C@H]1C(O)=NC(SC)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 189568 OVUVFPKUNJCVCS-NWDGAFQWSA-N 347.352 2.536 50 40 EFGB COc1cc(C2C(C#N)=C(N)SC(N)=C2C#N)ccc1OC(C)C 20566715 FHQPQINOOIFDPJ-UHFFFAOYSA-N 342.424 2.701 50 40 EFGB O=C(CNC(=O)OCc1ccccc1)NNc1ccccc1Cl 1721041 AIGXCSXDAORNNX-UHFFFAOYSA-N 333.775 2.710 50 40 EFGB CCN(CC)C(=O)/C(C#N)=C\c1ccc(OCC(=O)O)c(Cl)c1 59248279 OMZSRGKESXFZQJ-GHXNOFRVSA-N 336.775 2.579 50 40 EFGB CCOC(=O)c1c(NC(=O)CCCl)sc(C(=O)OC)c1C 1811832 IMLYJSZWFMARLP-UHFFFAOYSA-N 333.793 2.587 50 40 EFGB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)Cl)ccc1C 3886386 MAQHTOOGZOBAGB-LLVKDONJSA-N 332.853 2.591 50 40 EFGB CCOC(=O)[C@]1(C)c2[nH]c3ccccc3c2CCN1C(=O)CCl 4039289 GGWKIVZOKZBRKM-KRWDZBQOSA-N 334.803 2.570 50 40 EFGB biogenic O=C(NNC(=O)N1CC=C(c2ccc(O)cc2)CC1)c1ccccc1 65576134 WKXSJFLRKUKYQW-UHFFFAOYSA-N 337.379 2.536 50 40 EFGB CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OC 4739482 RITZLBHKXVPZNT-CIAFOILYSA-N 341.411 2.965 50 40 EFGB C/C(=N/NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccco1 4827009 DUXLEIWUNYUHMU-BKUYFWCQSA-N 341.411 2.847 50 40 EFGB O=C(/C=C/c1cccc(C(F)(F)F)c1)NNC(=O)c1ccncc1 15273475 JAUADIKNSDZTRX-SNAWJCMRSA-N 335.285 2.575 50 40 EFGB COC(=O)c1ccc(/C=N/NC(=O)CSc2ccccc2)cc1 16194157 OMYKPVBYGXFVMK-WOJGMQOQSA-N 328.393 2.716 50 40 EFGB O=C(Cn1nc2ccccc2n1)N/N=C/c1cccc2ccccc12 482886 KMFSSVLGOZCIMO-UDWIEESQSA-N 329.363 2.735 50 40 EFGB COCc1cccc(C(=O)N/N=c2/sc3ccccc3n2C)c1 103893520 QWKFEVBVYQYYIR-HTXNQAPBSA-N 327.409 2.632 50 40 EFGB COc1ccc(C/C(C)=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1 4863661 XYKZQQXPDOQYLC-ACRNLXFHSA-N 340.379 2.570 50 40 EFGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NC(N)=O 409243390 WCEZPZTYVMPDNX-ZROIWOOFSA-N 339.326 2.507 50 40 EFGB CCc1ccc(CC(=O)N/N=C\c2ccc(OC)c([N+](=O)[O-])c2)cc1 409362569 ICRZAAVAKVDNMC-UNOMPAQXSA-N 341.367 2.859 50 40 EFGB CCOc1cc(/C=N/NC(=O)CN(CC)c2ccccc2)ccc1O 36623612 IWQUAXLMSCBOPY-DEDYPNTBSA-N 341.411 2.768 50 40 EFGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OC 83292706 WIUKULXUBOCTFQ-UNOMPAQXSA-N 328.368 2.866 50 40 EFGB C/C(=N/NC(=O)CSc1nc2ccccc2[nH]1)c1cccnc1 72040 GRNNHVFQZOZGJB-JAIQZWGSSA-N 325.397 2.590 50 40 EFGB Cc1cc(C(=O)NNC(=O)[C@H]2C[C@H]2C)c(C)n1-c1ccc(F)cc1 12558094 KSOTUKLRAHGKCS-BMIGLBTASA-N 329.375 2.650 50 40 EFGB COC(=O)c1cccc(N2C=C(C#N)S(=O)(=O)c3ccccc32)c1 38487975 GPOGODKNBQEGKQ-UHFFFAOYSA-N 340.360 2.764 50 40 EFGB CCCCc1[nH]nc2c1[C@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 4631612 DXYBBQYHWQUFRY-OAHLLOKOSA-N 340.383 2.685 50 40 EFGB biogenic,in-vitro CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccs3)[C@@H]2C1 4730653 DHUMSAGOMXLYKP-NVXWUHKLSA-N 349.463 2.882 50 40 EFGB CCn1c(C)c(/C=N/NC(=O)CC2(C)OCCO2)c2ccccc21 583083 WLSGDQBTQNLENK-XDHOZWIPSA-N 329.400 2.573 50 40 EFGB COc1ccccc1OCC(=O)NNC(=O)Nc1ccc(Cl)cc1 142465 CUOPAVNWQCBPKJ-UHFFFAOYSA-N 349.774 2.580 50 40 EFGB O=C(COc1ccc2c(c1)CCC2)NNC(=O)c1ccccc1Cl 6402509 RVERKKFSBHZPHS-UHFFFAOYSA-N 344.798 2.669 50 40 EFGB O[C@H](CBr)C[n+]1cc(Br)cc2ccccc21 6583968 LFDBAQVLDITALK-LLVKDONJSA-N 346.042 2.646 50 40 EFGB CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)CO/N=C(/N)c1ccsc1)C2 58078448 UMMKQKNUHOAWNV-GOSARRMJSA-N 348.472 2.703 50 40 EFGB O=C(NCCc1cn2ccccc2n1)NNc1ccccc1Cl 45424903 KUBNMFPZCLWRII-UHFFFAOYSA-N 329.791 2.857 50 40 EFGB C=CCOc1cccc(/C=N/NC(=O)CNc2ccc(F)cc2)c1 408692290 JDYFIWFZUYPTSV-CIAFOILYSA-N 327.359 2.953 50 40 EFGB N#C/C(=C\c1cccc(Br)c1)C(=O)NC[C@@H]1CCCO1 6209731 LHPJRYXSYHCENK-GMMCIKNFSA-N 335.201 2.651 50 40 EFGB C/C(CC(=O)Nc1ccccn1)=N\NC(=O)c1ccc(Cl)cc1 100510118 IOPPTRYHFNBMJZ-RGVLZGJSSA-N 330.775 2.870 50 40 EFGB Cc1c(/C=N/NC(N)=O)c2ccccn2c1C(=O)c1ccc(F)cc1 3311426 HMNHCEUYKGXQEX-UFFVCSGVSA-N 338.342 2.620 50 40 EFGB CCn1c(CCl)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 6079607 LFZOAQKFRFNKEO-UHFFFAOYSA-N 341.864 2.970 50 40 EFGB O=C(NC[C@@H]1CCCO1)NNC(=S)Nc1ccc2ccccc2c1 64936867 ILANVPAKWPFUCR-HNNXBMFYSA-N 344.440 2.519 50 40 EFGB Nc1nonc1CC(=O)N/N=C\c1c2ccccc2cc2ccccc12 15938928 MYYQOPGSKIOARM-NHDPSOOVSA-N 345.362 2.651 50 40 EFGB CCN1CC=C2[C@@H](C1)[C@@H](c1ccc(F)cc1)C(C#N)=C(N)C2(C#N)C#N 19853245 IPDWVMRORUAOOV-AEFFLSMTSA-N 347.397 2.571 50 40 EFGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)o2)c1 38704511 RCSCSYBJWPBZMX-QINSGFPZSA-N 337.379 2.970 50 40 EFGB O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)Nc1ccc(Cl)cc1 2741859 ADWLISQRCYIQKF-UHFFFAOYSA-N 348.746 2.644 50 40 EFGB N#C/C(=C/c1cnc(-c2ccccc2)nc1)C(=O)NCc1ccco1 55037307 CKNUBWRDAKJEFJ-SXGWCWSVSA-N 330.347 2.960 50 40 EFGB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NNC(=O)Cc1ccccc1 100510002 VEIXKMUYKKYYPZ-RGEXLXHISA-N 348.406 2.547 50 40 EFGB COc1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] 59419194 WJTDJUCVYFHCRD-VCHYOVAHSA-N 347.758 2.950 50 40 EFGB CC(=O)C1=C(O)C(=O)N(CCBr)[C@@H]1c1ccccc1F 18031817 NNKLQPRVQKFIED-GFCCVEGCSA-N 342.164 2.505 50 40 EFGB COc1cc(OC)c(/C=N/NC(=O)c2ccccc2N)cc1Cl 408586058 BENXMLMNJKEASR-DJKKODMXSA-N 333.775 2.703 50 40 EFGB COc1ccc(/C=C(\C#N)c2nc(C)cs2)c(OCC(=O)O)c1 584906925 YLJWCKATPHRPLQ-LFYBBSHMSA-N 330.365 2.988 50 40 EFGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@H]2[C@H]1c1ccccc1Cl 5584240 SOVOGRRNXZFYMJ-CWSCBRNRSA-N 342.708 2.611 50 40 EFGB O=[N+]([O-])c1ccc(-c2nnc3n2C[C@H](CBr)S3)cc1 12651805 NKDYQISUUXCSGU-VIFPVBQESA-N 341.190 2.723 50 40 EFGB O=C(NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2nc[nH]c2c1 13109168 BFFKJWJHYFULLX-UHFFFAOYSA-N 343.730 2.888 50 40 EFGB CCOc1ccc(CC(=O)N/N=C\c2ccc3c(c2)OCO3)cc1 35461208 WYHHNBTZGPLZHN-ODLFYWEKSA-N 326.352 2.507 50 40 EFGB CCOC(=O)C1=C(C)NC(=C(C#N)C#N)[C@@H](C#N)[C@@H]1c1ccc(C)cc1 85409474 JTATXROTGXINLB-WMZOPIPTSA-N 346.390 2.960 50 40 EFGB Cc1ccc(NCC(=O)NNC(=O)c2ccc(Cl)cc2F)c(C)c1 12633190 PYDXFKUIEAHNGB-UHFFFAOYSA-N 349.793 2.969 50 40 EFGB CC1(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)SCCS1 38534969 ACLCOIBQHDTVEW-NTEUORMPSA-N 325.415 2.631 50 40 EFGB COc1ccc(/C(C)=N\NC(=O)Cc2cccs2)cc1[N+](=O)[O-] 4504748 PIEYYMVKWRJWPY-YBEGLDIGSA-N 333.369 2.748 50 40 EFGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(O)c(Cl)c1 110060135 LMSJGUZBUYCEFM-MFOYZWKCSA-N 333.731 2.647 50 40 EFGB C#CCOc1cccc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c1 409366728 XTRLGDGWWOBAKN-CIAFOILYSA-N 341.798 2.914 50 40 EFGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cnn(-c2ccccc2)c1 253395476 BXYHVHNWZYDJCP-QGZVFWFLSA-N 332.363 2.687 50 40 EFGB Cc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)o1 20086718 YUEVGTPTFOLUBQ-CQSZACIVSA-N 332.315 2.729 50 40 EFGB C=CCc1cc(/C=N\NC(=O)c2ccncc2)cc(OCC)c1O 30803274 MVZSVWOBKIORNF-NDENLUEZSA-N 325.368 2.678 50 40 EFGB N#CC1=C(S)NC(=O)[C@@H]([n+]2ccccc2)[C@@H]1c1ccc(Cl)cc1 2348756 YKOZVEHBOXOHDC-CABCVRRESA-O 342.831 2.747 50 40 EFGB C#CCn1c(C)c(/C=N/NC(=O)[C@H](O)c2ccccc2)c2ccccc21 409267054 RVRRCKDQMIESGI-YRXLECQKSA-N 345.402 2.767 50 40 EFGB Cc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] 5798928 ZMITTXUYBGILMG-WOJGMQOQSA-N 326.356 2.733 50 40 EFGB C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 4521929 SXWWICLSRXPNNW-GFCCVEGCSA-N 344.323 2.815 50 40 EFGB Cc1cccc(OCC(=O)NNC(=O)c2ccc3ccccc3c2)c1 8393816 HABSUNSADRMXOU-UHFFFAOYSA-N 334.375 2.988 50 40 EFGB COc1ccc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)cc1OC 58886338 QKFSYLYPIOWORY-RBYWHNRPSA-N 342.395 2.668 50 40 EFGB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NNC(=O)c1ccccc1 100510007 OGPNRDMNOUYVNX-LGMDPLHJSA-N 334.379 2.618 50 40 EFGB O=C(NCCc1ccccc1)C(=O)N/N=C/c1cccc2ccccc12 3062121 KWWNQLKKBXNRRE-HZHRSRAPSA-N 345.402 2.649 50 40 EFGB CCOc1cccc(/C=N/NC(=O)COc2c(C)cccc2C)c1O 5316986 DSZLYUQGLXZHAS-RGVLZGJSSA-N 342.395 2.937 50 40 EFGB COc1cccc(C(=O)N/N=C/c2cccc(OC3CSC3)c2)c1 408861318 QIEAZUPQYYULQE-VXLYETTFSA-N 342.420 2.953 50 40 EFGB COC(=O)COc1cccc(/C=N/NC(=O)c2ccccc2Cl)c1 408865558 BEBZBJSNBLIJDA-VXLYETTFSA-N 346.770 2.656 50 40 EFGB C[C@@H](Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1)C(=O)O 39557408 ZPHUCGGLZJEHDY-VURRPDKYSA-N 346.770 2.956 50 40 EFGB CN(C)N1C(N)=C(C#N)[C@@H](c2cccc(Cl)c2)C2=C1CCCC2=O 109190 YLYSPPHHZWXCME-MRXNPFEDSA-N 342.830 2.917 50 40 EFGB CC(=O)NNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 23198959 MFRRCJOTUKODQM-UHFFFAOYSA-N 343.330 2.539 50 40 EFGB COC(=O)c1ccc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1 408893765 FKDHZFFAIHZBOV-YBFXNURJSA-N 326.352 2.554 50 40 EFGB COC(=O)N/N=C/c1ccccc1OCc1ccccc1[N+](=O)[O-] 4525958 XTANUHMUTLNEDQ-LICLKQGHSA-N 329.312 2.864 50 40 EFGB O=C(CCCC[C@H]1CCSS1)NCCCN1CCOCC1 61469739 ZMQZYFFPDJKZKC-AWEZNQCLSA-N 332.535 2.539 50 40 EFGB biogenic COc1ccc(/C=N\NC(=O)c2ccccc2N)cc1Br 32116979 XOKQYWBLKISSTD-NVMNQCDNSA-N 348.200 2.804 50 40 EFGB CCc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1 32138858 COWFSRKWWSPIFE-YBFXNURJSA-N 329.787 2.991 50 40 EFGB O=C(CBr)NC[C@@H](OCC1CC1)c1ccc(F)cc1 95097954 WWZXYZPVSJIQLG-CYBMUJFWSA-N 330.197 2.805 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2ccccc2C#N)cc1Cl 3147572 MBRFPRWBAXHJMP-KEBDBYFISA-N 343.770 2.749 50 40 EFGB CCC[C@@]12OC(=O)C(=O)N1c1ccc(Cl)nc1S[C@@H]2Cl 2274394 HPAZFOSJDKPTLM-RYUDHWBXSA-N 333.196 2.792 50 40 EFGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccccc2O)cc1 6539052 KXCRQPVEFBADHX-ACRNLXFHSA-N 342.395 2.755 50 40 EFGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/C=C/c1ccccc1 3147545 KOKAZIKWGGHNSL-PXYULHTISA-N 325.324 2.789 50 40 EFGB O=C(NNc1ncccn1)c1ccc(N2CCc3ccccc3C2)cc1 64025224 BWWRQHKGIJPSTA-UHFFFAOYSA-N 345.406 2.796 50 40 EFGB Cc1nn(C)c(C(=O)N/N=C/C2CCCCC2)c1Br 6525980 SUCJIFQIQHDALT-OVCLIPMQSA-N 327.226 2.787 50 40 EFGB COc1cccc(-c2n[nH]c3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)c1 5817959 YAZBRXCIFCILRG-OAHLLOKOSA-N 345.362 2.698 50 40 EFGB CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2cccc(C)c2)cc1 409008298 VKTTWYRCQMGDNH-LFIBNONCSA-N 349.390 2.666 50 40 EFGB Cc1nccn1CC(=O)N/N=C\c1ccc(OCc2ccccc2)cc1 33326042 ZGFXAUQPRZGVEN-XKZIYDEJSA-N 348.406 2.921 50 40 EFGB COCCCNC(=O)/C(C#N)=C/c1ccc(OC(C)C)c(OC)c1 6210039 FCADWJYASCFLRY-XNTDXEJSSA-N 332.400 2.542 50 40 EFGB O=C(N/N=C/c1ccco1)c1ccc(I)cc1 10476127 LZWULNLCGDMQJP-RIYZIHGNSA-N 340.120 2.648 50 40 EFGB CCOC(=O)/C(C#N)=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1 408838617 YHQDDIJFUQYBDO-YCRREMRBSA-N 344.150 2.927 50 40 EFGB CCn1c(NNC(=O)c2cc(C)cc(C)c2)nc2ccccc2c1=O 11157033 ZQRCAIPSRADWMW-UHFFFAOYSA-N 336.395 2.790 50 40 EFGB O=C(N/N=C/c1cccc(OC(=O)c2ccco2)c1)c1ccccn1 34105 FOTJEDUDYUSAKL-UDWIEESQSA-N 335.319 2.658 50 40 EFGB COc1cc(/C=N/NC(=O)C2[C@H]3CCCC[C@@H]23)ccc1OC(C)=O 18126095 GHDNMAVXCWMYNK-ZRPOHPBQSA-N 330.384 2.507 50 40 EFGB C/C(=N\NC(=O)CNc1cccc(C)c1)c1ccc([N+](=O)[O-])cc1 223355 FZAOJYCILSHVGB-CPNJWEJPSA-N 326.356 2.856 50 40 EFGB CCC[C@]12OC(=O)C(=O)N1c1ccc(Cl)nc1S[C@H]2Cl 2274397 HPAZFOSJDKPTLM-VXGBXAGGSA-N 333.196 2.792 50 40 EFGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)c1ccc(F)cc1 8812062 QZQLJEKSNVCCLR-UDWIEESQSA-N 326.327 2.610 50 40 EFGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccccc1Nc1ccccc1 104753414 GPYMIYSKNDEKRN-SSZFMOIBSA-N 335.363 2.912 50 40 EFGB Cc1cc(/C=N/NC(=O)c2cccs2)c(C)n1-c1cnccn1 4109961 RZCZPZKKVMQBGO-DJKKODMXSA-N 325.397 2.710 50 40 EFGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Cl)ccc2O)c1 581074 PNHBJPXLHFFZIU-GIJQJNRQSA-N 331.759 2.768 50 40 EFGB O=C(Cc1csc(-c2ccccc2)n1)NNC(=O)c1cccs1 6509130 OSFFYPBNFPSLMR-UHFFFAOYSA-N 343.433 2.875 50 40 EFGB COc1ccc(C(=O)NNC(=O)c2cc3cc(C)ccc3n2C)cc1 4749279 VDRXIUMENNWENE-UHFFFAOYSA-N 337.379 2.570 50 40 EFGB CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)cc1 18266054 OIYAOUGEVHLNND-CQSZACIVSA-N 325.393 2.623 50 40 EFGB O=C(O)COc1ccccc1/C=N/NC(=O)c1cc2ccccc2o1 566122 GRGKQNBXRKYZAT-VXLYETTFSA-N 338.319 2.660 50 40 EFGB CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC 555584 DHIMHGSPBKCEHL-KRWDZBQOSA-N 340.379 2.909 50 40 EFGB O=C(CNc1cccc(C(F)(F)F)c1)NNC(=O)c1ccccc1 9220903 RJWNUCMWSHTGGF-UHFFFAOYSA-N 337.301 2.579 50 40 EFGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1O 33361080 VBHNSMYHJMFPQO-WMZJFQQLSA-N 339.189 2.595 50 40 EFGB Cc1cccc(OCC(=O)n2c(C)c(C(=O)NN)c3ccccc32)c1 216723543 VVIXRFFQKNYKMC-UHFFFAOYSA-N 337.379 2.581 50 40 EFGB C=CCOc1ccccc1/C=N/NC(=O)c1ccc(NC(C)=O)cc1 6614562 QMFOPCOTXHWILY-DEDYPNTBSA-N 337.379 2.974 50 40 EFGB Cc1nc(N)c(C[C@H](Br)CBr)c(Cl)n1 497299 NCWOCIBSHJRJAJ-YFKPBYRVSA-N 343.450 2.722 50 40 EFGB Cc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 107976414 INLGMHZDHLZAJI-SXGWCWSVSA-N 328.284 2.575 50 40 EFGB Cc1cc2c(c(=O)[nH]1)[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 16956163 CQYKEMJEYZEXPI-LBPRGKRZSA-N 331.734 2.694 50 40 EFGB CCOc1cc(/C=N/NC(=O)OC)ccc1OCCBr 4525969 DYTMGWJMXRKKAW-OQLLNIDSSA-N 345.193 2.549 50 40 EFGB O=C(CCc1nc2ccccc2s1)NNC(=O)c1ccc(F)cc1 7653091 HPMYJSASQXYHMT-UHFFFAOYSA-N 343.383 2.829 50 40 EFGB C/C(=N\NC(=O)COc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 260104 ZLPXPEQTTDADIO-QGOAFFKASA-N 327.340 2.822 50 40 EFGB CCCCN1C(=O)/C(=N/NC(=O)Cc2ccccc2)c2ccccc21 100905305 LVLJJUGOOFDYLL-ZBJSNUHESA-N 335.407 2.896 50 40 EFGB O=C(CCl)Nc1nc(SCCOc2ccccc2)ns1 4898362 PZHXHEYJNKADKG-UHFFFAOYSA-N 329.834 2.887 50 40 EFGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2sccc2C)cc1 59435555 DQPFOSQEOPMRBI-LICLKQGHSA-N 331.397 2.544 50 40 EFGB CCOC(=O)[C@@H](/C(C)=N\NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 101418895 OAFMMMKCPXLOEZ-RQNDZEIBSA-N 335.360 2.536 50 40 EFGB COc1cc(Cl)cc(/C=N/NC(=O)CNc2ccc(C)cc2)c1O 437769 VMDFULOKGMKTKC-AWQFTUOYSA-N 347.802 2.925 50 40 EFGB N#CCC(=O)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 565580 DWTGREFOQKRXCB-CAOOACKPSA-N 332.703 2.872 50 40 EFGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccccc1O 2416047 LIEJKIRUKKNCHF-UDWIEESQSA-N 334.379 2.959 50 40 EFGB CCOC(=O)/C(C#N)=C/NNC(=O)c1cc2c(s1)CCCCCC2 18991137 HHBJQAAGMTYNFP-ACCUITESSA-N 347.440 2.612 50 40 EFGB COc1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)c(C)c1 582677 OIVXAVQJRXSQAD-YBFXNURJSA-N 325.368 2.726 50 40 EFGB Nc1ccc(C(=O)N/N=C/c2c(F)c(F)c(F)c(F)c2F)cc1 6045214 LLLUDJAUOKWYAY-IGCPIRJNSA-N 329.228 2.728 50 40 EFGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1 209993591 CETITBRIQOXTCP-XFFZJAGNSA-N 327.271 2.985 50 40 EFGB COc1ccccc1/C=N/NC(=O)C(=O)Nc1cc(Cl)ccc1C 3168884 XHVSOXGDYCLUNW-VXLYETTFSA-N 345.786 2.746 50 40 EFGB COc1ccc(C(=O)NNC(=O)Cc2cccc3ccccc23)cc1 290024 LCZSFCWRBPOGOA-UHFFFAOYSA-N 334.375 2.852 50 40 EFGB CN(NC(=O)CCC(=O)N1CCc2sccc2C1)c1ccccc1 55463393 BWRSUORJXOXRTD-UHFFFAOYSA-N 343.452 2.581 50 40 EFGB CCOc1cc(/C=N/NC(=O)c2ccc(N(C)C)cc2)ccc1O 5928396 GQMBQFHWPDFFLX-XDHOZWIPSA-N 327.384 2.621 50 40 EFGB Cc1ccc(C(=O)NNC(=O)NCCSCc2cccs2)cc1 32809114 UWXWPGMEGLEEGD-UHFFFAOYSA-N 349.481 2.934 50 40 EFGB COc1ccc(C(=O)N/N=C/c2cc(Cl)c(O)c(OC)c2)cc1 256311 LBKIJMOSMFMBKY-GIJQJNRQSA-N 334.759 2.827 50 40 EFGB COc1cccc(OCCOc2cccc(/C=N/NC(C)=O)c2)c1 5726131 OYQIHRSHGCCXIS-CPNJWEJPSA-N 328.368 2.623 50 40 EFGB COc1cccc(/C=N/NC(=O)COc2cccc(C)c2)c1OC 58956 FBIPBLAPONQWQA-YBFXNURJSA-N 328.368 2.541 50 40 EFGB CC(=O)Nc1cc(NC(C)=O)cc(N(CCCl)CCCl)c1 1762469 NFIUOHXFJYCGFO-UHFFFAOYSA-N 332.231 2.887 50 40 EFGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)OC(C)(C)C)cc1 100522674 YIEQRPJAAIGLMU-XDHOZWIPSA-N 335.404 2.602 50 40 EFGB C/C(N)=C(\C#N)C(=O)COC(=O)C1(c2cccc(F)c2)CCCC1 104588370 UTCGSBORTZOWGF-QINSGFPZSA-N 330.359 2.506 50 40 EFGB COc1ccc(OC)c(NC(C#N)=C2C(=O)c3ccccc3C2=O)c1 148193 RIRXNEHQSQVSTH-UHFFFAOYSA-N 334.331 2.973 50 40 EFGB CCOc1cc(C=C(C#N)C#N)cc(I)c1O 432230 CVBRGDKDFPAXKW-UHFFFAOYSA-N 340.120 2.826 50 40 EFGB NNC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 36724710 QTHBVOGKSDNUFV-UHFFFAOYSA-N 346.890 2.566 50 40 EFGB Cn1cc(Cl)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)n1 253403100 PINXIMMBFIXXRA-LBPRGKRZSA-N 332.791 2.524 50 40 EFGB Cc1ccc(NC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1 367983 DMNDCEHVDAUQRF-VCHYOVAHSA-N 327.340 2.614 50 40 EFGB N#CC1=C(N)N(c2ccccc2)[C@@H]([C@@H]2C[C@H]3C=C[C@H]2C3)C1(C#N)C#N 100161846 LAAMVVDACMVNFP-KMCQBPLKSA-N 327.391 2.815 50 40 EFGB Cc1cc(OCC(=O)N/N=C/c2ccc3c(c2)OCO3)ccc1Cl 3027047 WBVWVVFTBYHKQJ-UFWORHAWSA-N 346.770 2.906 50 40 EFGB N#CCOc1ccccc1/C=N/NC(=O)CNc1ccc(Cl)cc1 409362413 JJSHRPSJKHIWIT-SRZZPIQSSA-N 342.786 2.805 50 40 EFGB O=C(O)c1cccc(-c2ccc(/C=N\NC(=O)c3ccncc3)o2)c1 32116928 IUYWFSVKQKTVDS-JAIQZWGSSA-N 335.319 2.804 50 40 EFGB COc1cccc([C@H](O)CNC(=O)[C@H](Br)C(C)(C)C)c1 96004358 ZICLAZWCSQPVEP-OLZOCXBDSA-N 344.249 2.654 50 40 EFGB Cc1ccc2cc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)c(=O)[nH]c2c1 421463 WZWGMLWIPCJYRP-QGZVFWFLSA-N 347.374 2.651 50 40 EFGB COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)c(O)c([N+](=O)[O-])c1 408948302 CPGGTBXAMJGZEM-XLNANEIOSA-N 347.371 2.585 50 40 EFGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1O 4175580 ZCFRLGNQZFKVCU-XYOKQWHBSA-N 339.307 2.855 50 40 EFGB CC(C)(C)c1cc(C(=O)NNC2=NCN=C2)cc(C(C)(C)C)c1O 19923985 LJVJUALWRSWWTI-UHFFFAOYSA-N 330.432 2.662 50 40 EFGB O=C(N/N=C\c1ccccc1O)c1cc2cc([N+](=O)[O-])ccc2o1 408904204 GKKHFPCCCRIMML-MFOYZWKCSA-N 325.280 2.811 50 40 EFGB CCOc1cccc(/C=N/NC(=O)c2ccc(OC)cc2OC)c1 33850951 GRQBYLFESRNFRL-XDHOZWIPSA-N 328.368 2.866 50 40 EFGB Cc1cccc(N[C@@H]2SC(=O)N(CCBr)C2=O)c1 12113063 PVBGNHMEPKTVTI-SNVBAGLBSA-N 329.219 2.823 50 40 EFGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(N(C)C)cc1 221173 PZLHBFQMCLUHOR-UDWIEESQSA-N 325.412 2.899 50 40 EFGB N=C(NNC(=O)CSCc1ccccc1)C(Cl)(Cl)Cl 18192304 GWDUUVZHDXHYAM-UHFFFAOYSA-N 340.663 2.888 50 40 EFGB COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(N)=C(C#N)C#N)o2)cc1 100614859 QGLRCHXYUYBCDA-RIYZIHGNSA-N 344.330 2.900 50 40 EFGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)c(C)n1C 408786413 JNJRTCKYZAKHJW-BGJDQGHQSA-N 344.422 2.850 50 40 EFGB CCCCOC(=O)c1ccc(-c2ccc(/C=N\NC(N)=O)o2)cc1 409065398 RVGPHWUFPWVVIZ-ODLFYWEKSA-N 329.356 2.906 50 40 EFGB CCOc1c(/C=N\NC(=O)c2ccccc2OC)cccc1OC 17023955 HIFVKWHTYPLTGQ-UNOMPAQXSA-N 328.368 2.866 50 40 EFGB Oc1ccccc1/C=N/NC1=N[C@H]2CC[C@H](Br)[C@@H]2S1 5583495 ZTXKTTBSRATLGU-HMYTZKFTSA-N 340.246 2.713 50 40 EFGB CC1(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)OCCCO1 59366740 BCPWLLDXAYZVIE-RQZCQDPDSA-N 331.199 2.987 50 40 EFGB COc1ccc(Br)cc1/C=N/NC(=O)c1cccc(O)c1 2163628 XSWPAJAZSKJRLU-RQZCQDPDSA-N 349.184 2.927 50 40 EFGB N#C/C(=C/c1ccccc1OCc1ccc(F)cc1)C(=O)NC(N)=O 409228544 BJJBDSADDZPUGR-ZROIWOOFSA-N 339.326 2.507 50 40 EFGB COc1cc(OC)cc(C(=O)NNC(=O)CCCc2cccs2)c1 13140883 MMADYASYURXIOE-UHFFFAOYSA-N 348.424 2.549 50 40 EFGB C/C=C(/C)N(C(C)=O)N(C(C)=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5412754 BVPQATOKYQCRHM-UITAMQMPSA-N 336.304 2.543 50 40 EFGB COc1ccc(-c2n[nH]c3c2[C@H](c2ccncc2)C(C#N)=C(N)O3)cc1 4901920 NNAUQUULQPNDCY-OAHLLOKOSA-N 345.362 2.698 50 40 EFGB O=C(CNC1CCCCC1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 409384153 BMAGKSIKQAYHFV-GIJQJNRQSA-N 338.795 2.621 50 40 EFGB C[C@@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)[C@@H]1CC=CCC1 8984384 YOCRLSGLKBGOGE-VXGBXAGGSA-N 344.440 2.600 50 40 EFGB Cc1ccc(S(=O)(=O)NNC(=O)c2oc3ccccc3c2C)cc1 7380303 ODHZGRXICFFXAF-UHFFFAOYSA-N 344.392 2.673 50 40 EFGB CCOc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)ccc1O 30802413 BUXXRYRQLIXOET-GRSHGNNSSA-N 348.786 2.973 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)c2ccccc2OC)c(OC)c1 83317051 UDNQUPYLKQKZRT-XDHOZWIPSA-N 328.368 2.866 50 40 EFGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(S(=O)(=O)O)cc2)o1 16682049 QRMLZTJVDGXMRN-XFXZXTDPSA-N 347.348 2.663 50 40 EFGB Cc1c(C(=O)NNS(=O)(=O)c2ccccc2F)oc2ccccc12 12993320 AQENFWQAJGLQKY-UHFFFAOYSA-N 348.355 2.504 50 40 EFGB COC(=O)c1ccc(N/C=C(\C#N)C(=O)NCCc2ccccc2)cc1 6719059 LOJGYCHTRQUGGV-SAPNQHFASA-N 349.390 2.651 50 40 EFGB CCN1C(=O)/C(=N\NC(=O)c2cc3ccccc3o2)c2ccccc21 5909361 RDEXIILHAPKLIW-JZJYNLBNSA-N 333.347 2.933 50 40 EFGB Cn1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCCO3)c2ccccc21 409360018 CXZURUMHSIUVOY-CIAFOILYSA-N 349.390 2.642 50 40 EFGB COc1cccc(/C=N/NC(=O)CC2(C)SCCS2)c1OC 409364747 PCXTZUQBCRGVRH-MHWRWJLKSA-N 340.470 2.740 50 40 EFGB O=C(OC(=O)C(F)(F)C(F)(F)Cl)C(F)(F)C(F)(F)Cl 885164044 GAZXIROHUAHHKJ-UHFFFAOYSA-N 342.953 2.990 50 40 EFGB CCC(=O)NC(=S)Nc1ccc(NC(=O)CCCCl)cc1 6709330 KTKLGJQUHSWWBN-UHFFFAOYSA-N 327.837 2.867 50 40 EFGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)c(C)n1C 408786415 JNJRTCKYZAKHJW-OZLOYMRASA-N 344.422 2.850 50 40 EFGB Cc1occc1C(=O)NNC(=O)c1c(-c2ccccc2)noc1C 5823810 NWIHTBIEYLIMRO-UHFFFAOYSA-N 325.324 2.626 50 40 EFGB CCOc1cc2c(cc1/C=N\NC(=O)c1cccc(OC)c1)OCO2 409112594 FEKSBOLWXVUIBJ-GRSHGNNSSA-N 342.351 2.587 50 40 EFGB COc1cc(/C=C(/C#N)C(=O)O)ccc1OC(=O)c1cccs1 16196117 IDZUXWSPHYFHGB-XFFZJAGNSA-N 329.333 2.967 50 40 EFGB COc1ccc(/C=N/NC(=O)CNc2ccccc2C)cc1OC 50351 DKGKDJKVPYTJRZ-RGVLZGJSSA-N 327.384 2.574 50 40 EFGB Cc1cc(C(=O)NNC(=O)NCCCCOc2ccccc2)c(C)o1 32795334 CTFZCJANJNBMNM-UHFFFAOYSA-N 345.399 2.700 50 40 EFGB COCCCNC(=O)/C(C#N)=C/C=C1/N(C)c2ccccc2C1(C)C 7165258 PACYZZHPSYQHRW-MIKCAUBTSA-N 339.439 2.901 50 40 EFGB Cc1ccc(S[C@@H](C)C(=O)NN=C2C(=O)Nc3ccccc32)cc1 409138718 HATSVIAJPWCUNK-LBPRGKRZSA-N 339.420 2.948 50 40 EFGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2cccs2)n1C1CC1 5165956 BKYRFWNJKWUCMQ-LUAWRHEFSA-N 345.453 2.759 50 40 EFGB CCOc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1OC 5908100 ZNAYFHUXRSYRGW-WOJGMQOQSA-N 343.339 2.766 50 40 EFGB CCOc1cc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1O 5475132 PLRSZWZGHOSMEH-VCHYOVAHSA-N 343.339 2.771 50 40 EFGB CCOc1ccc(C(=O)N/N=C\c2ccccc2O)cc1OCC 6355648 UAEVFGXYOIYOSZ-UNOMPAQXSA-N 328.368 2.954 50 40 EFGB CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1 2726982 VJWAMPRGIALYOY-RVDMUPIBSA-N 335.363 2.996 50 40 EFGB N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)C(=O)O 44867216 FOQRAPNZBGSHGX-SXGWCWSVSA-N 330.347 2.985 50 40 EFGB COc1cccc(/C=N/NC(=O)COc2cccc3cccnc23)c1 408763476 FRRPADKIACQRCG-CIAFOILYSA-N 335.363 2.773 50 40 EFGB Cc1ccc(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)c(C)c1 216038037 STUFSXBBFFZLGW-ZDLGFXPLSA-N 327.340 2.610 50 40 EFGB O=C(CCOC(C(F)(F)F)C(F)(F)F)OC(=O)C(F)(F)F 103544134 PVQWTBPKPPBDRF-UHFFFAOYSA-N 336.106 2.518 50 40 EFGB O=C(N/N=C/c1ccccc1C(=O)O)c1ccc(Br)cc1 3306309 WQTCHIHUEAYCET-RQZCQDPDSA-N 347.168 2.911 50 40 EFGB N#CC1=C[C@H](Br)[C@@]23C[C@]12[C@H](Br)C=C3C#N 100012730 UIZAZOJTTAAYEA-CKIJPRSSSA-N 325.991 2.817 50 40 EFGB CC(C)(C)OC(=O)NCCC(=O)N/N=C/c1cccc2cccnc12 2207791 UNOUEPBKHFRKMR-CIAFOILYSA-N 342.399 2.600 50 40 EFGB C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)NNC(=O)c1ccccc1 5270177 IAJDHAGRMOBHQT-LLVKDONJSA-N 340.408 2.505 50 40 EFGB COP(=O)(OC)C(C)(C)C/C(C)=N/NC(=O)c1cccnc1 80346572 STDOPOYJEOCGTK-LFIBNONCSA-N 327.321 2.842 50 40 EFGB CN(CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)CCl 79392656 MSYZDWXDAMIUPR-UHFFFAOYSA-N 338.835 2.732 50 40 EFGB CCS(=O)(=O)[C@@H](Cl)C(=O)c1ccc(Br)cc1 96517788 CMQWMGJVSZCJSF-SNVBAGLBSA-N 325.611 2.631 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2c(C)cccc2C)cc1OC 221192 WGOKGYOGFGDZJH-RGVLZGJSSA-N 342.395 2.850 50 40 EFGB CCOC(=O)C1=C2c3ncccc3ON2[C@H](Cl)[C@@H](Cl)[C@@H]1Cl 226348494 REIFVINDTGDQJR-PTRXPTGYSA-N 349.601 2.759 50 40 EFGB N#CC(C#N)=C(Nc1ccc(Cl)cc1)O[C@@]12CCCN1CCCN2 255189045 NIWKJGHBWIKGBG-QGZVFWFLSA-N 343.818 2.770 50 40 EFGB O=C(O)CC[C@@]1(Br)CCCC[C@@H](Br)C1=O 5566952 CRVUUUNYECMFEJ-XCBNKYQSSA-N 342.027 2.892 50 40 EFGB NNC(=O)c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1 226365533 HXPFDCAKTBIUQK-UHFFFAOYSA-N 325.151 2.816 50 40 EFGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(Br)o1 1449522 CMDUJCOOPAIOHO-LZYBPNLTSA-N 337.173 2.880 50 40 EFGB CC[C@H](Br)C(=O)NCCC(=O)Nc1ccccc1C 8733127 NHPHMZVIGGTJIZ-NSHDSACASA-N 327.222 2.613 50 40 EFGB COCCN[P@@](=O)(c1ccccc1)c1nc2ccccc2s1 3166453 PKECRIJVRDXCKN-OAQYLSRUSA-N 332.365 2.761 50 40 EFGB CC(=O)NN(/C=C1\C(=O)N(c2ccccc2)N=C1C)c1ccccc1 408722643 ALZIJAKIQVOGFI-AQTBWJFISA-N 334.379 2.851 50 40 EFGB Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1 3097506 GTVGSAWZVDIIOA-CAOOACKPSA-N 334.173 2.501 50 40 EFGB CC(C)OC(=O)CSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1 9014911 SZBLMHMEZGAWAI-ZDUSSCGKSA-N 330.409 2.710 50 40 EFGB CCOc1ccc(C(=O)N/N=C/c2cccc(OC)c2OC)cc1 60208 AGVXSPNECRLKLC-XDHOZWIPSA-N 328.368 2.866 50 40 EFGB COCCOC(=O)/C(C#N)=C\Nc1ccc(OC(F)(F)F)cc1 101645868 XJBZUSMPQWWNRJ-KTKRTIGZSA-N 330.262 2.594 50 40 EFGB COc1ccc(/C=N/NC(=O)c2ccc(C)cc2)c(OC)c1OC 4503719 KPKHVRUVAKJEOO-YBFXNURJSA-N 328.368 2.785 50 40 EFGB C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccc(F)s1 252491666 LPYAQBYOKVVQLX-VKPPLCHCSA-N 337.332 2.713 50 40 EFGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)O 13345009 IYGKECGXACHXGX-FMIVXFBMSA-N 337.291 2.839 50 40 EFGB C=CCOc1ccccc1/C=N/NC(=O)c1cccc(NC(C)=O)c1 6761463 GIYMAKDIJZYQJO-DEDYPNTBSA-N 337.379 2.974 50 40 EFGB N#C/C(=C/c1ccc(C#N)cc1)C(=O)N1CCN(c2ccccc2)CC1 192595450 OZRQCGVOQXNLDT-RGEXLXHISA-N 342.402 2.814 50 40 EFGB Cc1ccc([C@H]2C[C@@H]2C(=O)NNC(=S)NCc2ccccc2)cc1 374378 ONKXCYLTHNMQFV-SJORKVTESA-N 339.464 2.794 50 40 EFGB CN(Cc1c(F)cccc1Cl)C(=O)NNC(=O)c1ccccc1 45127588 NXTGYNCFHPIROC-UHFFFAOYSA-N 335.766 2.966 50 40 EFGB C/C(=N\NC(=O)c1nc2ccccn2c1C)c1cccc([N+](=O)[O-])c1 4864984 PRYNMGINSHEOBS-YBFXNURJSA-N 337.339 2.705 50 40 EFGB Cc1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccccc2)cc1 4898067 HYEIVNNASUCMRZ-UHFFFAOYSA-N 344.378 2.881 50 40 EFGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)/C=C/c1cccs1 8239618 FBBYCQKGWXWIAJ-ANYFNZRUSA-N 334.372 2.515 50 40 EFGB CCc1ccc(C(=O)NNC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 18095167 UYUVQWBXQCLJBV-UHFFFAOYSA-N 327.340 2.540 50 40 EFGB F[C@@H]1C[C@H]2[C@@H](Br)[C@@H]1NC2(C(F)(F)F)C(F)(F)F 19849005 QETLGKWBLPLOEM-NRXMZTRTSA-N 330.041 2.943 50 40 EFGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccnc1 237053 MDARVWPPDJECPK-RQZCQDPDSA-N 334.173 2.617 50 40 EFGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])s1 6156100 JGTAOQNEDXHLPW-CXUHLZMHSA-N 349.368 2.584 50 40 EFGB CCOc1cc(/C=N/NC(=O)COc2cc(C)cc(C)c2)ccc1O 6464493 WNAJVHISCDXCQA-RGVLZGJSSA-N 342.395 2.937 50 40 EFGB COc1ccc(/C=C/C(=O)N/N=C/c2cccc(OC)c2OC)cc1 409057169 UQRONKDXAVRMAC-UKRUMFJESA-N 340.379 2.876 50 40 EFGB O=C(N/N=C\c1ccc(I)o1)c1cccs1 32313336 SUWRDCNRRYSQHN-SDQBBNPISA-N 346.149 2.710 50 40 EFGB O=C(COc1cccc(Cl)c1)N/N=C\c1ccc2c(c1)OCO2 30802347 YCSBSCIARFOWEB-LSCVHKIXSA-N 332.743 2.598 50 40 EFGB O=C(NNC(=O)c1ccccc1Cl)c1ccc(-n2ccnc2)cc1 32779814 HFLKIFJPIYPPOI-UHFFFAOYSA-N 340.770 2.601 50 40 EFGB COc1cc(C(=O)N/N=C2/CCc3ccccc32)cc(OC)c1OC 4402430 SMGBGVGREZZEIR-HKWRFOASSA-N 340.379 2.793 50 40 EFGB C/C(NCc1ccc2c(c1)OCO2)=C(\C#N)C(=O)NCc1ccccc1 4816049 VYKGYXFJXUVMFD-VKAVYKQESA-N 349.390 2.619 50 40 EFGB CC(=O)c1ccc(/C(C)=N\NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 9483417 JSTAFBMMRKFXRP-UNOMPAQXSA-N 339.351 2.880 50 40 EFGB CC[C@@H]1CC/C(=N\NC(=O)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)C1 84735442 OKPQDIZFDKQUGL-DIQJZJFNSA-N 346.456 2.826 50 40 EFGB O=C(N/N=C(/CC(=O)C(F)(F)F)C(F)(F)F)c1ccccc1 5601316 ZQDOLXZYFHWLRV-UWVJOHFNSA-N 326.196 2.856 50 40 EFGB COC[C@@H](C)OC(=O)/C(C#N)=C/c1coc2ccc(Cl)cc2c1=O 2758936 QWQWZBIJSDWAJE-QZULDAKNSA-N 347.754 2.931 50 40 EFGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)Cc1cccs1 20294541 WTJZFCQMWYMDCB-WOJGMQOQSA-N 340.408 2.641 50 40 EFGB C/C(CC(=O)NC(C)(C)C)=N\NC(=O)C12CC3CC(CC(C3)C1)C2 101157560 VKFASKYDCKUHGZ-CIAFOILYSA-N 333.476 3.000 50 40 EFGB Cc1ccc(NCC(=O)NNC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)c(C)c1 102998369 SZZLXOTWWJNPAT-BZUAXINKSA-N 329.444 2.689 50 40 EFGB CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1 13345011 BSPRCCMROQPLSO-SDNWHVSQSA-N 335.363 2.996 50 40 EFGB CC(C)OC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2)cc1 409187506 RHXVWMULZVCCJR-UDWIEESQSA-N 340.379 2.781 50 40 EFGB O=C(Cc1ccccc1)N/N=C/c1cccn1-c1cccc(C(=O)O)c1 409094032 CQZTYRKPCYOMCR-KGENOOAVSA-N 347.374 2.868 50 40 EFGB Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3ccccn3)cc2)n1 130588 JOFNJCMFVBVBBX-CIAFOILYSA-N 333.395 2.707 50 40 EFGB CCOc1ccc(CCCC(=O)N/N=C/c2ccc(O)cc2O)cc1 5872995 TVTBUXCXRICWIA-DEDYPNTBSA-N 342.395 2.970 50 40 EFGB Cc1ccsc1/C=N/NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 525609 PMSCNGSHRCBEDF-SGPNVBEDSA-N 327.409 2.560 50 40 EFGB Cc1cccc(C[C@@H]2CN=C(NNC(=O)c3ccccc3)S2)c1 1780153 QYZFCZQTMGRANQ-MRXNPFEDSA-N 325.437 2.944 50 40 EFGB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)c2cccc(O)c2)o1 84688929 SETOCIGDGQRTFG-ABAIWWIYSA-N 328.368 2.502 50 40 EFGB Cc1ccccc1C(=O)NNC(=O)C1(c2ccccc2)CCOCC1 42017791 XJPXYVMMSNOFJT-UHFFFAOYSA-N 338.407 2.504 50 40 EFGB Cc1nc(N)c(C[C@@H](Br)CBr)c(Cl)n1 497300 NCWOCIBSHJRJAJ-RXMQYKEDSA-N 343.450 2.722 50 40 EFGB CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccsc4)[C@@H]3[C@@H]1CC2 100689672 FJJCTRCHQLJSEN-STECZYCISA-N 347.447 2.634 50 40 EFGB CN(C)/N=N/c1ccc(C(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)cc1 31739592 UXRFVGIGEUXJNY-LRNOFODQSA-N 340.343 2.919 50 40 EFGB O=C(CN1CCCc2ccccc21)NNC(=O)c1cccc(Cl)c1 3197016 ITAXSVLIZBTHTD-UHFFFAOYSA-N 343.814 2.554 50 40 EFGB CCOc1ccc(N[C@@H](CC)C(=O)N/N=C/c2ccccn2)cc1 2747480 XVIFLIZOGRXTPS-NNIWKIFQSA-N 326.400 2.821 50 40 EFGB COC(=O)N/N=C/c1ccc(OCc2ccc(C(=O)OC)cc2)cc1 3238960 AYRZHDBSUQDEIT-YBFXNURJSA-N 342.351 2.742 50 40 EFGB C[C@@H](OC(=O)c1ccccc1O)C(=O)C(C#N)=C1Nc2ccccc2N1 9155803 ZECHEHUBDCOQFT-LLVKDONJSA-N 349.346 2.779 50 40 EFGB COc1ccc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc1[N+](=O)[O-] 409361596 HQTZNOLTXHXYAY-ODLFYWEKSA-N 341.367 2.913 50 40 EFGB COc1ccc(/C=N\NC(=O)c2cccnc2)cc1Br 33295036 YRBAZIHMKXHECJ-IUXPMGMMSA-N 334.173 2.617 50 40 EFGB CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)C[C@H]2COC(=O)C2)C1 521394935 BFCWXKAZHOKDGM-KGLIPLIRSA-N 341.524 2.952 50 40 EFGB CC(C)n1ccnc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253396463 DVIKGPKXWDMRNU-CQSZACIVSA-N 326.400 2.915 50 40 EFGB Cc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)o1 3659879 NPQAXQMUSHWJAC-REZTVBANSA-N 340.166 2.984 50 40 EFGB O=C(COc1cccc(Cl)c1)N/N=C/c1ccc([N+](=O)[O-])s1 222482 LKENVAUCAUPWDJ-VIZOYTHASA-N 339.760 2.839 50 40 EFGB Cc1ccc2cc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)c(=O)[nH]c2c1 421462 WZWGMLWIPCJYRP-KRWDZBQOSA-N 347.374 2.651 50 40 EFGB C[C@@]12CC3CC(C(=O)NNC(=O)c4cccnc4)(C1)C[C@@](C)(C3)C2 102961191 ULXDPWZOQIWDNR-BHJVWRQASA-N 327.428 2.839 50 40 EFGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)o1 38704509 PYXOHEHLVSZYIK-QINSGFPZSA-N 337.379 2.970 50 40 EFGB CCN(CC)c1ccc(/C=N\NC(=O)Cc2cccs2)c(O)c1 12411685 MYYKONKSMIJGBU-PDGQHHTCSA-N 331.441 2.993 50 40 EFGB CCOC(=O)/C(C#N)=C/c1ccc(Br)c([N+](=O)[O-])c1 5324602 OARKHLQJVULFTC-WEVVVXLNSA-N 325.118 2.827 50 40 EFGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(N)=O)cc2)cc1 6957068 ONDPDZCLCWPOEH-WJDWOHSUSA-N 349.390 2.659 50 40 EFGB CCCOc1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 2217372 YXLLKPXDPYZSNG-UHFFFAOYSA-N 340.272 2.944 50 40 EFGB Cc1ccc(NCC(=O)NNC(=O)c2cc(Cl)ccc2F)c(C)c1 12745684 VKFGEJGQRTURIK-UHFFFAOYSA-N 349.793 2.969 50 40 EFGB CCOc1ccc(/C=N\NC(=O)COc2cccc(C)c2C)c(O)c1 13575992 PWACAFUECVAVDV-JAIQZWGSSA-N 342.395 2.937 50 40 EFGB C=CCOc1cccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c1 408591434 TUJLCHMGKNGXKM-UDWIEESQSA-N 338.363 2.673 50 40 EFGB CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1C(=O)OCC 96306066 ZMSBIXVTSHZOPM-JLHYYAGUSA-N 339.351 2.519 50 40 EFGB COc1ccccc1NC(=O)[C@@H](Br)C(=O)C(F)(F)F 257197726 HLZBUAGHKCIIKD-QMMMGPOBSA-N 340.095 2.529 50 40 EFGB N#CCC(=O)N/N=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 16385963 DWTGREFOQKRXCB-IUXPMGMMSA-N 332.703 2.872 50 40 EFGB O=C(CCCC(=O)N/N=C/c1cccs1)N/N=C/c1cccs1 2801561 DEGKNZNTOPWLLH-OTYYAQKOSA-N 348.453 2.580 50 40 EFGB Cc1cc(C)c(C)c(S(=O)(=O)NNC(=O)c2ccccc2)c1C 12905235 RUIUEQUURKWDCQ-UHFFFAOYSA-N 332.425 2.544 50 40 EFGB CCOC(=O)[C@@H](C)/C(C)=N\NC(=O)c1cc2ccccc2cc1O 13139858 XAGSVVIPZGGXFY-FGXTZJSVSA-N 328.368 2.850 50 40 EFGB CS(=O)(=O)c1ccc(C2=C(C#N)COc3cc(F)ccc32)cc1 26897151 VSOHQQDTZHEPBX-UHFFFAOYSA-N 329.352 2.947 50 40 EFGB COC(=O)Nc1cccc(OS(=O)(=O)CC(C)(C)CCl)c1 585115095 MJCCQSSGORRRRT-UHFFFAOYSA-N 335.809 2.839 50 40 EFGB C[C@@H]1CN([C@H](CNC(=O)CCl)c2c(F)cccc2Cl)CCO1 1116437898 SOJXJGIFNBSBHV-ZWNOBZJWSA-N 349.233 2.596 50 40 EFGB CC(C)(C)OC(=O)N1CCC(C(=O)NNc2ccc(F)cc2)CC1 61038472 VBWRAIGWXXSTPN-UHFFFAOYSA-N 337.395 2.916 50 40 EFGB O=C(N/N=C/c1ccccc1C(F)(F)F)C(=O)N1CCCCCC1 58884605 LMOCWJCFYVPHIE-RGVLZGJSSA-N 341.333 2.558 50 40 EFGB CCCCOc1ccccc1C(=O)NN=C1C(=O)Nc2ccccc21 408737165 MLMBVABOBKEBJH-UHFFFAOYSA-N 337.379 2.952 50 40 EFGB Cc1cc(C)nc(NNC(=O)CSc2nc3ccccc3s2)n1 65625193 RTBLVUFQWPWWFE-UHFFFAOYSA-N 345.453 2.939 50 40 EFGB Cc1c(C(=O)N/N=C/c2ccc(N(C)C)cc2)sc(=S)n1C 5798681 BOMHCSQIQAMMMV-CXUHLZMHSA-N 334.470 2.954 50 40 EFGB Cc1ccccc1OCC(=O)N/N=C/c1c[nH]nc1-c1ccccc1 5322698 KETQPMSEIRGPAP-RGVLZGJSSA-N 334.379 2.914 50 40 EFGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1 562536 NVZVGBJLFYKKLM-VXLYETTFSA-N 346.770 2.656 50 40 EFGB NC1=C(c2nc3ccccc3[nH]2)C(=O)[C@@H](Cl)N1c1cccc(O)c1 103851954 VUPNVVOJVAKOMI-HNNXBMFYSA-N 340.770 2.550 50 40 EFGB CCOc1ccc(CC(=O)N/N=C\c2ccc(O)c(OCC)c2)cc1 408711789 KNNYQAIWJCPYCN-MOSHPQCFSA-N 342.395 2.882 50 40 EFGB O=C(Cc1ccccc1)N/N=C/c1ccc(O)c(Br)c1 50316 NFJQESUYJYDCLR-LICLKQGHSA-N 333.185 2.848 50 40 EFGB N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)N1CCOCC1 134262 BDHZXKFDICKTJV-SDNWHVSQSA-N 326.327 2.851 50 40 EFGB O=C(NNC(=O)c1ccc(Br)o1)c1ccc(Cl)cc1 568820 KPYMRLVVFIDTEL-UHFFFAOYSA-N 343.564 2.770 50 40 EFGB CC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)c1ccccc1OC 12137400 MDPZHPRKWKWKCH-INIZCTEOSA-N 342.395 2.622 50 40 EFGB O=C(CC1(C(=O)O)CCCCC1)NNC(=O)c1ccccc1Cl 24151145 LWVQRYFOFKYDQR-UHFFFAOYSA-N 338.791 2.526 50 40 EFGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCC#N 408768954 MWLBFBCDKCCBFS-SDQBBNPISA-N 333.775 2.683 50 40 EFGB Cc1ccc(NCC(=O)N/N=C(\CCC(=O)O)c2ccccc2)cc1 4179149 XUTWWPGKPSROHK-HEHNFIMWSA-N 339.395 2.792 50 40 EFGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(N2CCCC2)cc1 408676103 FIUTXQOCKKBRAQ-GZTJUZNOSA-N 328.328 2.552 50 40 EFGB O=C(CBr)Nc1cccc(C(=O)NCc2ccco2)c1 35605266 OLGBRPNKPOLGQC-UHFFFAOYSA-N 337.173 2.543 50 40 EFGB C[C@]12CC[C@@]3(O)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C#N 70665292 UHCRRDZEBITSMZ-RPZLJYRGSA-N 329.440 2.888 50 40 EFGB biogenic CC(C)c1n[nH]c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 34762 RHPJZOQKEKJTPZ-LBPRGKRZSA-N 325.328 2.659 50 40 EFGB CC1(C)CC(=O)C=C(NNC(=O)c2cccc(Br)c2)C1 16121854 VSGJJSLJRLURAS-UHFFFAOYSA-N 337.217 2.957 50 40 EFGB CCOC(=O)C1=C(C)OC(O)=C(C#N)[C@H]1c1ccc(OC)c(OC)c1 6206040 CBTMSSVAEQDUJG-MRXNPFEDSA-N 345.351 2.948 50 40 EFGB COc1cccc(/C=N/NC(=O)CSCCc2ccccc2)c1O 408724798 AZKOJCJVIVTBJN-XDHOZWIPSA-N 344.436 2.827 50 40 EFGB C#CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 408804252 DUELCTDEAGYODQ-RVDMUPIBSA-N 348.358 2.958 50 40 EFGB Cc1ncsc1C(=O)NNC(=O)[C@H]1C[C@H]1c1ccccc1Cl 104636906 ZVSJHYUIXJMAHH-QWRGUYRKSA-N 335.816 2.670 50 40 EFGB CC[C@@H]1S/C(=C(\C#N)C(=O)NC)N(c2ccc(Cl)cc2)C1=O 2344167 LEFNURAOXRNMBB-YGRGUWMTSA-N 335.816 2.680 50 40 EFGB Cc1ccc(NC(=O)N/N=C\c2ccc(N3CCOCC3)o2)c(C)c1 409013173 LXJUOFFKBGYDKW-UNOMPAQXSA-N 342.399 2.889 50 40 EFGB O=C(NNS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1 5949330 YNTVAJCPFDKETQ-UHFFFAOYSA-N 332.425 2.730 50 40 EFGB O=C(NNC(=O)c1ccccc1F)c1cnc(Cl)c(Cl)c1 2625226 NBCHGHLRNISDIK-UHFFFAOYSA-N 328.130 2.602 50 40 EFGB Cc1cc(C)n(CCC(=O)N/N=C/c2c(O)ccc3ccccc23)n1 504082 IOCGUKOUGPGNMV-UDWIEESQSA-N 336.395 2.899 50 40 EFGB CCn1c(C)nc2cc(C(=O)NNC(=O)NC3CCCCC3)ccc21 3199714 PGOSUSLVXODPOX-UHFFFAOYSA-N 343.431 2.641 50 40 EFGB C[C@]12CO[C@]3(C(=O)NNc4ccc([N+](=O)[O-])cc4)C[C@@H]1CC[C@]23C 102899929 JXPWGQRXSSSLGE-UQCMEYCASA-N 331.372 2.633 50 40 EFGB COc1ccc(C(=O)N/N=C\c2ccc(O)c(Cl)c2)cc1OC 409319028 ZEQXWIWWDGFTAS-NVMNQCDNSA-N 334.759 2.827 50 40 EFGB Cc1cc(O)cc(O)c1/C=N/NC(=O)COc1ccccc1Cl 359420 MRKCUXGEUZYPBJ-QGMBQPNBSA-N 334.759 2.589 50 40 EFGB O=C(NNC(=O)c1ccccc1Oc1ccccc1)c1cccnc1 7038955 ISFBEUBXHNJZFF-UHFFFAOYSA-N 333.347 2.949 50 40 EFGB COc1ccc(-n2cccc2/C=N/NC(=O)c2cccc(O)c2)cc1 573096 JHEKZJNSXNLGGY-DEDYPNTBSA-N 335.363 2.955 50 40 EFGB C[C@@H]1CCc2sc(C(=O)NNC(=O)CCc3ccco3)cc2C1 24828246 JGQDSCPKEDZSMB-LLVKDONJSA-N 332.425 2.860 50 40 EFGB CC[C@H]1S/C(=C(\C#N)C(=O)NC)N(c2ccc(Cl)cc2)C1=O 2344170 LEFNURAOXRNMBB-PKVLTRFUSA-N 335.816 2.680 50 40 EFGB O=C(NNC(=O)c1sc2ccccc2c1Cl)c1cccnc1O 12940906 YJVCEFYUOHKYSZ-UHFFFAOYSA-N 347.783 2.730 50 40 EFGB CC1(C)C(C#N)=C(SCc2nccn2C(F)F)NC(=O)[C@H]1C#N 8725222 FQBNIMKRXAZINK-MRVPVSSYSA-N 337.355 2.542 50 40 EFGB C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OC 4541093 NMIUSKGOMAPJSG-INIZCTEOSA-N 338.367 2.510 50 40 EFGB Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)NC(N)=O)o2)cc1 409221064 KHIDFWFFBZIQKM-FLIBITNWSA-N 327.365 2.841 50 40 EFGB O=C1C=C(NNC(=O)COc2ccccc2)C[C@H](c2ccccc2)C1 408751570 ZMVULLBLPXYQPA-INIZCTEOSA-N 336.391 2.717 50 40 EFGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(C)c(OC)c2)c1 582181 AFJSANBEVHJPSZ-YBFXNURJSA-N 328.368 2.785 50 40 EFGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c([N+](=O)[O-])cc1OC 13371731 AVXLZDXXQJXSJV-GHXNOFRVSA-N 345.355 2.578 50 40 EFGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc(C)cc(C)c2[nH]c1=O 420354 QDNFLOMOYLMMCH-KRWDZBQOSA-N 349.390 2.816 50 40 EFGB COC[C@H](OC)[C@@H](Cl)C(=O)Nc1ccc(Br)cc1 1593506 POFFKFJTJWAGOY-WDEREUQCSA-N 336.613 2.656 50 40 EFGB COc1ccc(-c2nc(N)sc2CCC(=O)NN=C(C)C)cc1 497287 RJGUPXVOPTVFAI-UHFFFAOYSA-N 332.429 2.846 50 40 EFGB COc1ccc(OC)c(/C=C(\C#N)C(=O)NCc2cccs2)c1 59534243 TZCIRHHPSYCPQV-MDWZMJQESA-N 328.393 2.989 50 40 EFGB COc1ccc(/C=C/C=N/NC(=O)COc2ccc(OC)cc2)cc1 2097918 NKPLNLSDTVCYJK-LLDJEOIGSA-N 340.379 2.898 50 40 EFGB Cn1cc(C(=O)NNC(=O)Cc2ccc3c(c2)CCC3)c2ccccc21 8145227 LOUNBHDEROEUMA-UHFFFAOYSA-N 347.418 2.671 50 40 EFGB Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccccc3)ccc12 196157 KXDZJJPKCPKOPB-RGVLZGJSSA-N 336.347 2.631 50 40 EFGB COc1cc(SC)ccc1C(=O)NNC(=O)c1ccc(C)cc1 2628868 VDXJLFBYYPATJY-UHFFFAOYSA-N 330.409 2.800 50 40 EFGB O=[N+]([O-])c1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2Cl)c([N+](=O)[O-])c1 1598687 GQLQCMKDSNJDKL-KOLCDFICSA-N 348.764 2.827 50 40 EFGB O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 3474902 DOSFXVCTZSGWSL-OBQYLLBLSA-N 339.307 2.753 50 40 EFGB Cc1nn(C)c2sc(C(=O)NNC(=O)CC3CCCCC3)cc12 66571207 PZLJTXOUYSYTCO-UHFFFAOYSA-N 334.445 2.675 50 40 EFGB Cc1ccc2cc(/C=N/NC(=O)CC3(C)OCCO3)c(Cl)nc2c1 408726440 BLXLSMUQHDVGAV-VXLYETTFSA-N 347.802 2.800 50 40 EFGB CC(C)CC(=O)NNC(=O)c1cnn(-c2ccccc2)c1C(C)C 30602986 DEFABYCMXBVZRI-UHFFFAOYSA-N 328.416 2.803 50 40 EFGB CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1 349403 UEMNXWIBYPWNQD-OFBHVFLISA-N 325.412 2.717 50 40 EFGB COc1cc2ccccc2cc1C(=O)NNC(=O)c1cccs1 569181 YPAFPWREPZLJHX-UHFFFAOYSA-N 326.377 2.985 50 40 EFGB C[C@H]1CCc2sc(C(=O)NNC(=O)c3ccc(Cl)nc3)cc2C1 2726166 QZDCKHLPMAYCRG-VIFPVBQESA-N 349.843 2.996 50 40 EFGB Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(C(=O)O)cc2)c1 3038650 AOGHUCIAQPQHDX-VXLYETTFSA-N 326.352 2.531 50 40 EFGB CCN(NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1ccc(C)cc1 45140613 LCZLEMJVKMQBAX-MRXNPFEDSA-N 339.443 2.559 50 40 EFGB Cc1cccc(NC(=O)N/N=C\c2ccc(N3CCOCC3)o2)c1 409013202 MFCJVMVXENVNMV-PDGQHHTCSA-N 328.372 2.580 50 40 EFGB COC(=O)c1ccc(Cn2cc(/C=N/NC(C)=O)c3ccccc32)o1 409393295 PSJSRWAOXJWANY-DJKKODMXSA-N 339.351 2.539 50 40 EFGB O=C(N/N=C\c1ccc(O)c(O)c1)c1ccc(Br)cc1 39246198 XXZTVSXSLXOKNS-PXNMLYILSA-N 335.157 2.624 50 40 EFGB CCOc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1OCC 135215 ADUHNZAONPRKOV-ACRNLXFHSA-N 342.395 2.668 50 40 EFGB CCN(NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(C)cc1 11355159 YDBQDZSUGQJKTE-UHFFFAOYSA-N 332.425 2.570 50 40 EFGB COc1cccc(C(=O)N/N=C/c2cn(CC#N)c3ccccc23)c1 409376903 BSURZIAGRWPECC-CIAFOILYSA-N 332.363 2.937 50 40 EFGB C/C(=N\NC(=O)CSCc1ccccc1)c1cc(O)ccc1O 408720344 ZHXBCWBOGVAOHQ-LDADJPATSA-N 330.409 2.871 50 40 EFGB CN(C)NC(=O)Nc1cccc(NC(=O)CCCn2cccc2)c1 585083237 FAOFSZGKTLSVKU-UHFFFAOYSA-N 329.404 2.505 50 40 EFGB CC(=O)NN[P+](c1ccccc1)(c1ccccc1)c1ccccc1 68569574 UAWWKYDFSUJLSD-UHFFFAOYSA-O 335.367 2.536 50 40 EFGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCC)c(OC)c1 1786069 CVOMGAOVMULJDC-GXDHUFHOSA-N 328.368 2.610 50 40 EFGB O=C(COc1ccccc1)N/N=C/c1ccc(OC2CSC2)cc1 233765 KBZRYQYDXBPNQO-VXLYETTFSA-N 342.420 2.710 50 40 EFGB N#C/C(N)=C(C#N)/N=C/c1ccc(N(CCCl)CCCl)cc1 104228746 LGPBCPZUKQPRRC-DYENBZIJSA-N 336.226 2.607 50 40 EFGB Cc1cc(C)nc(NNC(=O)c2ccc(CN3CCCCC3)cc2)n1 14513880 DYSCTSKSECJWLF-UHFFFAOYSA-N 339.443 2.836 50 40 EFGB O=C(NNC(=S)NCCCc1ccccc1)c1ccccc1F 408585747 IYUJPUHLBGNYPL-UHFFFAOYSA-N 331.416 2.567 50 40 EFGB CCCCc1ccc(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)cc1 40177597 BARXPXNXVZCIKL-HNNXBMFYSA-N 343.876 2.788 50 40 EFGB COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)ccc1O 6180932 WPBKJWJWTAOJKA-DJKKODMXSA-N 333.775 2.616 50 40 EFGB CCCSC1=C(C#N)[C@H](c2ccccc2C)[C@H](C(=O)OC)C(=O)N1 2476054 FCGYZQQVQOIDPU-GJZGRUSLSA-N 344.436 2.876 50 40 EFGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccncc3)o2)cc1 32116942 NVXLRGBPYPQFNF-MTJSOVHGSA-N 349.346 2.892 50 40 EFGB CCN(CC)S(=O)(=O)O[C@H]1C[C@H]2c3ccccc3[C@H]1[C@@H]2Cl 229970191 NPXZNZLIYFGYSC-BYNSBNAKSA-N 329.849 2.850 50 40 EFGB Cn1c(C(=O)NNC(=O)c2ccccc2F)cc(Cl)c1Cl 32661237 BMCKXSAMUUIXIH-UHFFFAOYSA-N 330.146 2.546 50 40 EFGB COc1cc(/C=N/NC(=O)c2ccccc2Cl)c(O)c([N+](=O)[O-])c1 59513194 LKYSHXPCIIJKDK-CAOOACKPSA-N 349.730 2.726 50 40 EFGB CCN1CCC(=NNC(=O)COc2ccc(Cl)cc2Cl)CC1 58119179 TYRCLWCIWGZFNC-UHFFFAOYSA-N 344.242 2.960 50 40 EFGB CN(NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1ccccc1 8358169 VUUQSBMYIVXYLD-OAHLLOKOSA-N 327.409 2.657 50 40 EFGB COc1cc(Br)ccc1C(=O)N/N=C/c1ccncc1 126312 INWXLYAQKWWAAJ-RQZCQDPDSA-N 334.173 2.617 50 40 EFGB COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)Cc1ccc(C)cc1C 20195410 BAFFIHSWTGNKRN-YBFXNURJSA-N 341.367 2.913 50 40 EFGB O=C(N/N=C/c1ccncc1)c1cccc(N/N=C/c2ccncc2)c1 5781232 WNQDZWBRSCRHEM-MSKUYSOUSA-N 344.378 2.687 50 40 EFGB CCN1CC=C2[C@H](C1)[C@@H](c1ccc(F)cc1)C(C#N)=C(N)C2(C#N)C#N 19853248 IPDWVMRORUAOOV-WMZOPIPTSA-N 347.397 2.571 50 40 EFGB CC/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(OC)c(OC)c1 6377888 PEEYRCDVGHRWSC-XDJHFCHBSA-N 328.368 2.954 50 40 EFGB Cc1noc(C)c1[C@@H](C)C(=O)N/N=c1/sc2ccccc2n1C 104102634 NTQSWHGVLAGMQE-BPLXYPGWSA-N 330.413 2.580 50 40 EFGB CSc1ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1 3102448 TWKKZDXITYLQGD-LICLKQGHSA-N 345.380 2.846 50 40 EFGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 409360372 FAGPUFCTXKBDMB-QGMBQPNBSA-N 348.746 2.516 50 40 EFGB Cc1ccc(OCC(=O)n2cc(C(=O)NN)c3ccccc32)cc1C 218738464 VMYZYQPIZNDFFZ-UHFFFAOYSA-N 337.379 2.581 50 40 EFGB COCCNC(=O)/C(C#N)=C/c1ccc(OCCC(C)C)c(OC)c1 3257734 DFMBDNOXCBCLGO-LFIBNONCSA-N 346.427 2.790 50 40 EFGB Cc1c(/C=N/NC(=O)c2cc3c(s2)CCCC3)cc(C#N)n1C 6932174 URYHLQOQORONBF-VXLYETTFSA-N 326.425 2.909 50 40 EFGB C=CCc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(OC)c1OC 409368057 QTNZJGYBRXURJO-LFIBNONCSA-N 326.396 2.962 50 40 EFGB CCc1ccccc1NC(=O)CCNC(=O)[C@@H](Br)CC 15423187 GFGOETXPZXFCQG-LBPRGKRZSA-N 341.249 2.867 50 40 EFGB COc1ccccc1NCC(=O)N/N=C/c1ccccc1OC(F)F 3226235 KZMXQNWLGZKOOI-UFFVCSGVSA-N 349.337 2.859 50 40 EFGB COc1ccc(/C=N/NC(=O)c2sc3ncccc3c2N)cc1 9482482 JMESFYNKXZJGQL-DJKKODMXSA-N 326.381 2.651 50 40 EFGB O=C(N/N=C\c1cc2c(cc1Br)OCO2)c1ccccc1 33305773 XZPFXEYTHSAMER-IUXPMGMMSA-N 347.168 2.942 50 40 EFGB Cc1nn(C)c(C(=O)N/N=C/C[C@H](C)c2ccccc2)c1[N+](=O)[O-] 5697021 JUHJXMSUEBJFFE-MUOOZZNISA-N 329.360 2.546 50 40 EFGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2C)c1 3088256 KUGKNIRPAWEAMX-VXLYETTFSA-N 345.786 2.746 50 40 EFGB C/C(=N\NC(=O)c1cccn1C)c1ccc(NC(=O)NC(C)C)cc1 47951214 ZLTZOGWEKZHNQX-FYJGNVAPSA-N 341.415 2.709 50 40 EFGB COc1ccc(CCNC(=O)/C(C#N)=C\c2ccoc2)cc1OC 17066722 RMTODTFBDLBQRX-DHDCSXOGSA-N 326.352 2.563 50 40 EFGB CCOC(=O)[C@@H](Br)[C@H](C(=O)OCC)c1ccc(C)cc1 3671611 MNVZOGWIMOUWDL-OLZOCXBDSA-N 343.217 2.968 50 40 EFGB N#CC1=C(S)NC(=O)[C@H]([n+]2ccccc2)[C@@H]1c1ccc(Cl)cc1 5277796 YKOZVEHBOXOHDC-HUUCEWRRSA-O 342.831 2.747 50 40 EFGB C/C(=N\NC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccc[nH]1 7738553 SRQSAWXSXPZOAA-LSHDLFTRSA-N 349.316 2.924 50 40 EFGB O=C(CCl)N1CC[C@H](N(C(=O)OCc2ccccc2)C2CC2)C1 79412069 SGQWPAJHCYXULH-HNNXBMFYSA-N 336.819 2.627 50 40 EFGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)C[C@@H]1C1CC1 19203638 CQTYXSGRDPSVHK-GDBMZVCRSA-N 333.351 2.878 50 40 EFGB CCCC(=O)Nc1ccc(C(=O)N/N=C/c2cccc(O)c2)cc1 587264 KKYJISDEYLDVDD-XDHOZWIPSA-N 325.368 2.895 50 40 EFGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)ccc1O 106026543 FUXXQLLWTCLZHC-MFOYZWKCSA-N 333.731 2.647 50 40 EFGB CCOC(=O)N/N=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1 3305151 DZZGBAXASOMFTG-RQZCQDPDSA-N 347.356 2.616 50 40 EFGB COc1ccccc1OCC(=O)N/N=C(\C)c1c(F)cccc1F 5164333 KUYBYOLSGVCWPB-RGVLZGJSSA-N 334.322 2.893 50 40 EFGB COc1ccc(/C=C(\C#N)C(N)=O)c(OCc2ccccc2F)c1 408891656 UIDIBVJCAINVHB-RIYZIHGNSA-N 326.327 2.806 50 40 EFGB O=C(NNc1ccccc1)c1cnc(-c2cccc([N+](=O)[O-])c2)nc1 408532753 OSZBRBOQTBLMRN-UHFFFAOYSA-N 335.323 2.809 50 40 EFGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cccc(OCC(=O)O)c1 408816310 YGMDMKHQZRRHAT-GSFUKFRZSA-N 342.395 2.752 50 40 EFGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2[N+](=O)[O-])cc1 193794012 WOCRBOSBNUXXQY-GDNBJRDFSA-N 337.335 2.827 50 40 EFGB O=C(N/N=C\c1cccs1)c1cc(Br)ccc1O 83326968 JIMYBDMABIHXID-AUWJEWJLSA-N 325.187 2.980 50 40 EFGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1CCN(C)CC1 55048460 KDHXCBDMZGXVRK-SNVBAGLBSA-N 344.242 2.959 50 40 EFGB CC(C)(C)c1ccc(OCCC(=O)NNC(=O)c2ccncc2)cc1 12882708 KTESGGJSHUEIRE-UHFFFAOYSA-N 341.411 2.609 50 40 EFGB COc1ccc(C(=O)N/N=C/c2ccccc2O)cc1Br 225920 QKTFHVKQKJXLJE-RQZCQDPDSA-N 349.184 2.927 50 40 EFGB O=C(NNC(=O)c1cncn1-c1ccccc1)c1ccccc1Cl 12541358 NIMHXGMEANJRHN-UHFFFAOYSA-N 340.770 2.601 50 40 EFGB COc1ccccc1OCCOc1cccc(/C=C(\C#N)C(N)=O)c1 4599374 PECYRWNAFBBENI-RVDMUPIBSA-N 338.363 2.545 50 40 EFGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cccc(Cl)c1 3149923 UAVSQIXGPXQZGZ-RQZCQDPDSA-N 333.731 2.777 50 40 EFGB COc1cccc(/C=N/NC(=O)COc2c(C)cccc2C)c1O 359421 SPBRBWFRXURGRN-VXLYETTFSA-N 328.368 2.547 50 40 EFGB CCOc1ccc(/C=N/NC(=O)c2ccccc2O)cc1OCC 1641440 XQWMALZJFQBSDR-XDHOZWIPSA-N 328.368 2.954 50 40 EFGB CCn1cc(Br)c(C(=O)N/N=C/c2ccc(F)s2)n1 252510440 ZKUZKVBRPSDMEF-LHHJGKSTSA-N 345.197 2.630 50 40 EFGB CCCCNC(=O)/C(C#N)=C/N1CCN(/C=C/c2ccccc2)CC1 20403628 NOLWEPSAYVXFHI-QNBOAHBYSA-N 338.455 2.599 50 40 EFGB CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccsc4)[C@H]3[C@H]1CC2 101141970 FJJCTRCHQLJSEN-YYQUZTFQSA-N 347.447 2.634 50 40 EFGB COc1cccc(C(=O)NNC(=O)c2cc3ccccc3cc2O)c1 28267 VKHPDPPFUVTNGI-UHFFFAOYSA-N 336.347 2.629 50 40 EFGB CCOC(=O)Cc1csc(NC(=O)/C(C#N)=C/c2ccccc2)n1 2886642 MRECWHYHWHMJCX-MDWZMJQESA-N 341.392 2.794 50 40 EFGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(C)c3)[C@H]2C1 481856 RJSLZGNOQZNJLA-RBUKOAKNSA-N 343.434 2.740 50 40 EFGB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)Cc1ccccc1 12849160 PUVCGYXQIBOOLS-CYBMUJFWSA-N 346.814 2.806 50 40 EFGB O=C(NN=C1CCCCC1)C(=O)Nc1ccccc1Br 5771994 GYGFPAIJTXBOLV-UHFFFAOYSA-N 338.205 2.824 50 40 EFGB COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cnn(C)c1 97996344 RSRBHMWXHMVXAF-XGICHPGQSA-N 330.775 2.936 50 40 EFGB Cc1ccc(C(=O)NNC(=O)c2ccc(OC(F)(F)F)cc2)cc1 2639621 QDJGMGFYAAISCQ-UHFFFAOYSA-N 338.285 2.968 50 40 EFGB COc1ccc(C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)c(O)c1 409392040 NHHZQJCWRAWJEP-CNHKJKLMSA-N 348.742 2.547 50 40 EFGB COc1cccc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c1OC 409364725 OXAMTUJQPWQHRT-KEBDBYFISA-N 347.802 2.919 50 40 EFGB O=C(O)CCCCCNC(=O)CCSSc1ccccn1 39292042 KPFOKUHANTWLRQ-UHFFFAOYSA-N 328.459 2.973 50 40 EFGB CCOC(=O)c1c(NC(=O)CCl)sc2c1CC(C)(C)OC2 305842 JJUMCWNEJMOGQI-UHFFFAOYSA-N 331.821 2.953 50 40 EFGB C[N+](CCCl)(CCCl)Cc1ccc(S(C)(=O)=O)cc1 1636823 JJXFJMZYRJNBJT-UHFFFAOYSA-N 325.281 2.514 50 40 EFGB CC(C)CC[C@@H](C[C@@H](C)O)C(=O)NNC(=S)Nc1ccccc1 13656024 URZRFPBVFCXZCC-KGLIPLIRSA-N 337.489 2.828 50 40 EFGB CN(CCO)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1 7931922 RSISGBGQAXYEGP-XDHOZWIPSA-N 331.803 2.532 50 40 EFGB Cc1cc(O)c2c3c(c(O)c4c(c13)O[C@H](C)C4(C)C)C(=O)OC2=O 72319982 TWBCJAQLHHKHDU-SSDOTTSWSA-N 328.320 2.929 50 40 EFGB C#CCOc1ccc(Cl)cc1[C@@H]1C(C#N)=C(N)Oc2n[nH]c(C)c21 409125868 KQCZWACYTXUPJR-OAHLLOKOSA-N 340.770 2.602 50 40 EFGB COc1ccc2[nH]c(C(=O)N/N=C/c3ccccc3O)cc2c1OC 2325598 GSMYQELUPXYFGB-VXLYETTFSA-N 339.351 2.655 50 40 EFGB N#C/C(C(=O)CSc1ccccc1)=C1/NC(=O)c2ccccc2N1 101157147 KRLBTNUFOURWRA-VKAVYKQESA-N 335.388 2.938 50 40 EFGB CN(C(=O)[C@H](Cc1ccccc1)NC(=O)CCl)c1ccccc1 1116434425 WCPHPWQBPNMCIA-INIZCTEOSA-N 330.815 2.616 50 40 EFGB O=C1OP2(c3ccccc3)(OC(=O)c3ccccc32)c2ccccc21 104150783 APLNFJDABUUVHS-UHFFFAOYSA-N 348.294 2.687 50 40 EFGB O=C(N/N=C/c1ccc(N2CCCC2)o1)c1ccc([N+](=O)[O-])cc1 59138220 JPLSYRNPVCFJLD-GZTJUZNOSA-N 328.328 2.552 50 40 EFGB CCc1ccc(CC(=O)N/N=C\c2cc(OC)ccc2OC)cc1 409364463 PRMHWTDCABASNI-MOSHPQCFSA-N 326.396 2.959 50 40 EFGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)o1 408799589 HDEQJWJHZLUTPZ-NZFOCEBUSA-N 343.427 2.718 50 40 EFGB O=C(COc1ccccc1Cl)N/N=C/c1ccc(C(=O)O)cc1 5368398 SENOHVJVPNJRLV-GIJQJNRQSA-N 332.743 2.567 50 40 EFGB C[C@H](Oc1ccc(/C=N\NC(=O)Nc2ccccc2)cc1)C(=O)O 208350228 DHMOCDLGEKRKJF-SJWFJVLYSA-N 327.340 2.694 50 40 EFGB Cc1ccc(SCC(=O)NNC(=O)c2ccc(F)cc2)c(C)c1 2661697 JLEYHDZBIYMRAJ-UHFFFAOYSA-N 332.400 2.996 50 40 EFGB C/C(N)=C(\C#N)C(=O)COC(=O)CCSc1ccc(Cl)cc1 103087284 MISSBGZVGXRJES-RAXLEYEMSA-N 338.816 2.691 50 40 EFGB N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@@H]1c1ccc(-c2ccccc2)cc1 17780770 OCZVBBSIRDUDJH-MRXNPFEDSA-N 342.358 2.655 50 40 EFGB Cc1[nH]nc2c1[C@@H](c1ccc(Br)cc1F)C(C#N)=C(N)O2 5042763 CFBADFINGHWXAI-LBPRGKRZSA-N 349.163 2.838 50 40 EFGB Cc1cc2c(c(=O)o1)[C@@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 377377 KLAMOEKRNWVHLT-INIZCTEOSA-N 338.363 2.954 50 40 EFGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccccc1Cl 459394 GXBOYODLZPSARC-UFWORHAWSA-N 331.759 2.631 50 40 EFGB Cc1cc(OCC(=O)N/N=C/c2ccc(O)cc2O)ccc1Cl 566242 SCBWYVNQCKQTJF-QGMBQPNBSA-N 334.759 2.589 50 40 EFGB O=C(CCl)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 3277977 NYZGTUCQLQLOTI-UHFFFAOYSA-N 332.743 2.845 50 40 EFGB O=C(Cn1cnc2ccccc21)N/N=C/c1ccc(OC(F)F)cc1 6651292 XEIIXVDYMQWMLP-ZVBGSRNCSA-N 344.321 2.788 50 40 EFGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\c1cccnc1)CO2 32110858 ZKVXGBOQGAZKIG-BYINCCNUSA-N 339.395 2.669 50 40 EFGB CC(C)n1ccnc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253396460 DVIKGPKXWDMRNU-AWEZNQCLSA-N 326.400 2.915 50 40 EFGB CCCCC(=O)N/N=C(\C)CC(=O)Nc1cc(OC)ccc1OC 4402108 RLCWRXWZHYYBSX-XDHOZWIPSA-N 335.404 2.715 50 40 EFGB Cc1cc(C)cc(OCC(=O)N/N=C\c2ccc3c(c2)OCO3)c1 30895868 KJUSSPHRRFVDAW-OCKHKDLRSA-N 326.352 2.561 50 40 EFGB COCc1c(C)cc(C)c(C2C(C#N)=C(N)SC(N)=C2C#N)c1C 42440 TVOFTJRXVVADRB-UHFFFAOYSA-N 340.452 2.976 50 40 EFGB C=CCSC1=C(C#N)[C@H](c2ccccc2OC)[C@H](C#N)C(=O)N1 2299537 CVNYNEIMYOSITI-SWLSCSKDSA-N 325.393 2.703 50 40 EFGB Cc1cc(CN(Cc2cc(C)no2)C[C@@H](CCl)n2cccn2)on1 69583025 JNSQZMLOOLFWAX-CQSZACIVSA-N 349.822 2.958 50 40 EFGB COc1ccc(/C=N/NC(=O)CNc2cccc(C)c2)cc1OC 4746702 NRPMZBKQGSSWAE-RGVLZGJSSA-N 327.384 2.574 50 40 EFGB COc1ccc(/C=N\NC(=O)c2cn(C)c3ccccc23)cc1OC 33325821 FZGKAFYQJYDRDX-JAIQZWGSSA-N 337.379 2.959 50 40 EFGB CCOc1ccccc1/C=N/NC(=O)c1ccc(NC(C)=O)cc1 493416 YHPWIOSGDMGEKS-XDHOZWIPSA-N 325.368 2.808 50 40 EFGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)cc1 6183689 FOJYVTLJZINMMO-QAZQYGAVSA-N 342.395 2.752 50 40 EFGB Cc1c(Br)c(=O)oc2c3c(ccc12)O[C@H](Cl)C(=O)N3 3849513 IWDNMRWGISELJP-JTQLQIEISA-N 344.548 2.760 50 40 EFGB biogenic C[C@H]1CN([C@H](CNC(=O)CCl)c2c(F)cccc2Cl)CCO1 1116437896 SOJXJGIFNBSBHV-GXFFZTMASA-N 349.233 2.596 50 40 EFGB O=C(Cc1cccc2ccccc12)NNC(=O)c1cccc([N+](=O)[O-])c1 486648 XXRMDEFWYCSAHR-UHFFFAOYSA-N 349.346 2.752 50 40 EFGB COc1ccccc1C(=O)N/N=C(\C)CC(=O)Nc1ccccc1F 4904256 KNLWHENRTDKMOZ-CIAFOILYSA-N 343.358 2.969 50 40 EFGB Cc1cc(C)nc(NNC(=O)Cc2nc(-c3ccccc3)oc2C)n1 32905166 YFIWEBCKFFKHDM-UHFFFAOYSA-N 337.383 2.743 50 40 EFGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccccc1F 494865 FBIDUOYJGWZFEB-OAHLLOKOSA-N 333.322 2.885 50 40 EFGB O=C(NNc1ncccn1)c1ccc(COc2ccccc2F)o1 47079859 WXNJQCIYBYHJHE-UHFFFAOYSA-N 328.303 2.545 50 40 EFGB CCCC(CCC)=NNC(=O)C(=O)Nc1cc(OC)ccc1OC 59434226 ZHHMBLKCFRZYRD-UHFFFAOYSA-N 335.404 2.715 50 40 EFGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cc1ccc2c(c1)OCCO2 409359725 BUCUNPCYXQGQAS-CIAFOILYSA-N 349.390 2.940 50 40 EFGB Cc1cc(OCC(=O)NNC(=O)Cc2ccccc2C)ccc1Cl 13011766 WCTMUCIKEHJVPT-UHFFFAOYSA-N 346.814 2.726 50 40 EFGB CC[C@H](Br)C(=O)NCCC(=O)Nc1ccc(F)c(C)c1 8733238 UITQLUXRQNJVCY-NSHDSACASA-N 345.212 2.752 50 40 EFGB CCc1ccc(N2C[C@H](C(=O)N/N=C\c3cccs3)CC2=O)cc1 409169054 PIXUPATVRFGVRR-AXLWCPOOSA-N 341.436 2.814 50 40 EFGB N#C/C(=C/c1ccccc1OCc1cccc(F)c1)C(=O)NC(N)=O 409235992 DUJLJWXQCMVDKE-ZROIWOOFSA-N 339.326 2.507 50 40 EFGB O=C(NNC(=S)Nc1ccc(F)c(Cl)c1)c1ccccc1O 7572352 NGRZRURQHSWOAK-UHFFFAOYSA-N 339.779 2.816 50 40 EFGB Cc1ccc(CC(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)c(C)c1 216039265 HRLAELRXBTWJEK-ZDLGFXPLSA-N 327.340 2.610 50 40 EFGB CCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 112875 SKEUAZJZFSPZHP-UHFFFAOYSA-N 345.786 2.763 50 40 EFGB COc1ccc(OC)c2[nH]c(C(=O)N/N=C/c3ccccc3O)cc12 2211813 RUWKJORHKBWQCL-VXLYETTFSA-N 339.351 2.655 50 40 EFGB CCOC(=O)/C(C#N)=C\c1ccc(N2C(=O)c3ccccc3C2=O)cc1 5123884 XXNZKYNQRMMBCS-KAMYIIQDSA-N 346.342 2.957 50 40 EFGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1Br)c1ccco1 408587620 GMUYNJNDSPDHHL-VGOFMYFVSA-N 338.117 2.714 50 40 EFGB CCOc1ccc(/C(C)=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1 8108424 KHVQUAHUVODDTO-ACRNLXFHSA-N 340.379 2.766 50 40 EFGB Cc1ccc(C(=O)NNC(=O)c2ccoc2C)cc1Br 358626 KIFWREBLNGOAKQ-UHFFFAOYSA-N 337.173 2.734 50 40 EFGB O=C(NNC(=O)C1c2ccccc2Oc2ccccc21)c1cccnc1 7038956 KOKDCOWKPSLDFM-UHFFFAOYSA-N 345.358 2.780 50 40 EFGB O=C(N/N=C/c1ccc(Br)o1)c1ccc([N+](=O)[O-])cc1 3102771 WNMBDGSRNUOKLL-VGOFMYFVSA-N 338.117 2.714 50 40 EFGB O=C(N/N=C/c1ccc(O)c(Br)c1)c1cccs1 3575550 LEHKFZARFUDKCB-VGOFMYFVSA-N 325.187 2.980 50 40 EFGB CCOc1c(/C=N/NC(=O)c2ccccc2OC)cccc1OC 1739023 HIFVKWHTYPLTGQ-XDHOZWIPSA-N 328.368 2.866 50 40 EFGB N#C/C(=C\c1nn(CCO)c(N)c1C#N)c1ccc(Cl)cc1Cl 4595515 RMSDEHIZBULRTM-WEVVVXLNSA-N 348.193 2.700 50 40 EFGB Cc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1 60924 JIWKHXCOBPMYMK-UHFFFAOYSA-N 333.185 2.832 50 40 EFGB N#CCC(=O)N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 6610070 BFSGRUTXGYXDFG-RQZCQDPDSA-N 325.353 2.671 50 40 EFGB O=C(NNC(=O)[C@@H]1Cc2ccccc2S1)c1cc2c(s1)CCC2 10124543 BHXQQXCQLMPODI-AWEZNQCLSA-N 344.461 2.715 50 40 EFGB CCc1ccc2c(c1)/C(=N\NC(=O)c1ccc(Cl)cc1)C(=O)N2 20816182 TZYAQMMPKQSDKS-UHFFFAOYSA-N 327.771 2.989 50 40 EFGB Cc1cccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c1 408786977 YXTMTHPTDZYWNQ-KGENOOAVSA-N 337.423 2.591 50 40 EFGB Cc1cc(C(=O)NN)c(C)n1-c1ccc(Br)cc1F 223707753 JXGNUBWPSUQPFE-UHFFFAOYSA-N 326.169 2.599 50 40 EFGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cn(C)c3ccccc23)cc1 582671 GHJBFEBVZQFREM-RGVLZGJSSA-N 334.379 2.901 50 40 EFGB Cc1cc(/C=N\NC(N)=O)c(C)n1-c1sc2c(c1C#N)CCCC2 15224874 IZVZEXIITBYABJ-UKWGHVSLSA-N 341.440 2.908 50 40 EFGB O=C(N/N=C\C=C/c1ccccc1)C(=O)N/N=C/C=C/c1ccccc1 17313731 HIRBYBFHMTYBOX-YTURKZMYSA-N 346.390 2.617 50 40 EFGB N#C/C(=C\c1cc(CSc2nnc(N)s2)cs1)C(N)=S 8306824 CJDBTPKUUDOCNK-FARCUNLSSA-N 339.496 2.667 50 40 EFGB COc1ccccc1C(=O)N/N=C(\C)CC(=O)Nc1ccc(F)cc1 4904265 YIDNTHUIERFPBL-CIAFOILYSA-N 343.358 2.969 50 40 EFGB C[C@]12CO[C@]3(C(=O)NNc4ccc([N+](=O)[O-])cc4)C[C@@H]1CC[C@@]23C 102899931 JXPWGQRXSSSLGE-SPOWBLRKSA-N 331.372 2.633 50 40 EFGB Cc1c(C(=O)NNC(=O)c2cc(C3CC3)on2)oc2ccccc12 74019955 KVRRQUHETCOCSJ-UHFFFAOYSA-N 325.324 2.681 50 40 EFGB O=C(Cc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc2ncccc2c1 89780801 GPBWJKBWLLTAQA-UDWIEESQSA-N 334.335 2.836 50 40 EFGB COc1ccc(O)c(/C=N/NC(=O)[C@@H](C)Nc2ccc(C)cc2)c1 234870 YGSCRYWCGSQNRV-OTGIAGGSSA-N 327.384 2.660 50 40 EFGB O=C(N/N=C/c1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1994383 YDWPJIIYDZJGJO-LZYBPNLTSA-N 348.702 2.920 50 40 EFGB Cc1cc(C(=O)NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)o1 3621526 RXOAKVSGILACMX-UHFFFAOYSA-N 337.719 2.533 50 40 EFGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(O)cc1O 4735233 FPFISLNOSCUBES-RQZCQDPDSA-N 349.184 2.553 50 40 EFGB CCN1C(=O)/C(=C(\C#N)C(=O)Nc2ccccc2OC)c2ccccc21 409142031 AKYUIVARAWPLBS-NBVRZTHBSA-N 347.374 2.978 50 40 EFGB CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1O 223540 KGENEBUKWYBAMF-RGVLZGJSSA-N 327.384 2.662 50 40 EFGB CCc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)cc1 72338 VWWLDCGNGRHWHM-SFHVURJKSA-N 336.439 2.826 50 40 EFGB COc1ccc(C(=O)N/N=C(/C)c2ccc(OC)c(OC)c2)cc1 58974 DWSNSDBYDGRTNU-UNOMPAQXSA-N 328.368 2.866 50 40 EFGB Cc1nonc1C(=O)N/N=C/c1ccccc1OCc1ccccc1 2801566 DXTCPUZWNHPDLQ-YBFXNURJSA-N 336.351 2.721 50 40 EFGB COc1ccccc1/C(C)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1 408737415 PLCRRSGTQKORGM-PDGQHHTCSA-N 327.340 2.686 50 40 EFGB NNC(=O)c1ccc(OCc2cccc(F)c2)c(Br)c1 216819447 MCTVAEMOXOIBNT-UHFFFAOYSA-N 339.164 2.771 50 40 EFGB CCS(=O)(=O)[C@@H](Br)C(=O)c1ccc(Cl)cc1 96517876 NDYKZUIDNRGLIK-SNVBAGLBSA-N 325.611 2.678 50 40 EFGB Cc1c(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cccc1[N+](=O)[O-] 5724489 RYCPGXBPYZMVDV-UHFFFAOYSA-N 347.758 2.560 50 40 EFGB CCN1C(=O)/C(=C(\C#N)C(=O)NCc2ccccc2)c2ccccc21 168964613 LEFQZRXCWDQRTA-FBMGVBCBSA-N 331.375 2.647 50 40 EFGB C/C(N)=C(/C#N)C(=O)COC(=O)c1ccccc1Cc1ccccc1 4828889 SJQLASXYMUQVBO-NBVRZTHBSA-N 334.375 2.760 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)CNc2ccc(C)cc2)c(OC)c1 7009557 YYCGHGHAQQXHLI-KGENOOAVSA-N 341.411 2.965 50 40 EFGB CN(C)/N=N\c1ccc(C(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)cc1 104185796 UXRFVGIGEUXJNY-PJNNMMJDSA-N 340.343 2.919 50 40 EFGB CC1=CC(=O)[C@@H](Cl)[C@@](C)(Cl)/C1=N/S(=O)(=O)c1ccccc1 5602455 OEFOIRDIQFJSAZ-KACOQOIMSA-N 346.235 2.950 50 40 EFGB COc1ccc(O)c(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 3162127 MHQAOMRDKGVGKG-VURRPDKYSA-N 348.786 2.972 50 40 EFGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1O 7384171 SXPSQWYELTZDAJ-DEDYPNTBSA-N 339.395 2.765 50 40 EFGB CCCOc1ccc(/C=N/NC(=O)Cc2cccn2C)cc1OC 2759609 RAXGKAREQSVNCZ-CPNJWEJPSA-N 329.400 2.515 50 40 EFGB COc1ccc(OC)c(/C=N/NC(=O)COc2ccc(Cl)cc2)c1 58833 KQNKKVUQGDNZPN-VXLYETTFSA-N 348.786 2.886 50 40 EFGB N#CC(C#N)=C(C#N)c1ccc(-c2cnc(N3CCOCC3)s2)cc1 101002738 CBMXAYRRPAMDOH-UHFFFAOYSA-N 347.403 2.971 50 40 EFGB CC[C@H](Oc1ccccc1)C(=O)NNC(=O)c1cccc(Cl)c1 6540522 GCBUGTXKESAARH-HNNXBMFYSA-N 332.787 2.959 50 40 EFGB O=C(CN1CCCCCC1=O)NN=C1c2ccccc2-c2ccccc21 6956316 OGCFKVLFAHOWDS-UHFFFAOYSA-N 347.418 2.938 50 40 EFGB CCOc1cc(C(=O)N/N=C\c2ccc(OC)cc2)ccc1OC 409322634 MKEFQARUVAHZAJ-UNOMPAQXSA-N 328.368 2.866 50 40 EFGB CCCOc1ccc(C(=O)N/N=C\c2ccc(O)cc2)cc1OC 409319526 HROYOZFLZNTCCM-UNOMPAQXSA-N 328.368 2.954 50 40 EFGB O=C(O)COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1 33619363 USZKPPLPOUBCIZ-GRSHGNNSSA-N 338.319 2.660 50 40 EFGB COc1ccc(/C(C)=N\NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 34781497 PVBYTZZXBCJXTN-PDGQHHTCSA-N 327.340 2.686 50 40 EFGB Cc1cccc(O[C@@H](C)C(=O)N/N=C/c2ccc(N(C)C)cc2)c1 117889 AGTQVAFLKQXZKB-NPRIEWAGSA-N 325.412 2.979 50 40 EFGB C/C(=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 5618259 PEYNLAIDYMAZNV-GZTJUZNOSA-N 342.311 2.965 50 40 EFGB COC(=O)C1=C(C)N(C)C(C)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 68606491 RCCJKAADUMPTIW-INIZCTEOSA-N 327.340 2.868 50 40 EFGB Cc1sc2nc(CC(=O)NN=C3CCCCC3)[nH]c(=O)c2c1C 8045591 DQUBYPITBBPEDR-UHFFFAOYSA-N 332.429 2.580 50 40 EFGB CN(C)NC(=O)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408980799 XTOAUGMLNSIKLS-UHFFFAOYSA-N 346.394 2.826 50 40 EFGB CC(C)CC1(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)CCC1 79093000 FSWFVHCNBPAOHY-CYBMUJFWSA-N 336.407 2.957 50 40 EFGB COCc1n[nH]c2c1[C@@H](c1cccc3ccccc13)C(C#N)=C(N)O2 34925 HOGXKYZNBQHFQC-INIZCTEOSA-N 332.363 2.927 50 40 EFGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc2ncccc2c1 381376 JBYAWJFTFKNVPA-UDWIEESQSA-N 334.335 2.836 50 40 EFGB CCN(NC(=O)[C@@H]1CCCN(C(=O)NC(C)C)C1)c1ccc(C)cc1 47063911 LMDSBTWKJIFQQS-MRXNPFEDSA-N 346.475 2.683 50 40 EFGB O=C(N/N=C\c1ccc(N2CCOCC2)o1)Nc1ccccc1Cl 409009849 AADRRGHMGYPREZ-WQRHYEAKSA-N 348.790 2.925 50 40 EFGB COc1ccc(C(=O)N/N=C\c2ccc(N(C)C)cc2)cc1OC 33399628 AMKBXAPFYLTHRU-UNOMPAQXSA-N 327.384 2.534 50 40 EFGB CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(Cl)c1O 3136653 KOQKTXGUAWQKPS-GDXCHIGESA-N 348.786 2.628 50 40 EFGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1O 16449041 OVSPKBWXEQTYDT-RQZCQDPDSA-N 345.380 2.684 50 40 EFGB COc1cccc(/C=N\NC(=O)c2ccccc2N2CCCC2)c1O 17062599 MXGBAOGKXDTMLE-MOSHPQCFSA-N 339.395 2.765 50 40 EFGB C/C(=N\NC(=O)CNc1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 223157 HICLKSXHKUTQMF-CPNJWEJPSA-N 326.356 2.856 50 40 EFGB COc1cccc(/C=C(\C#N)C(=O)NCc2cccs2)c1OC 59534235 RXPVMMXROYTXLR-UKTHLTGXSA-N 328.393 2.989 50 40 EFGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1 59515511 TYQLCXHIKFBPPX-UDWIEESQSA-N 339.395 2.907 50 40 EFGB CN(C)/C=C(\C#N)C(=O)N/C=N/OCc1ccc(Cl)cc1Cl 12861151 BNRLWIHJLFGOJK-YRNVUSSQSA-N 341.198 2.539 50 40 EFGB CCCc1n[nH]c2c1[C@H](c1ccc(O)cc1OCC)C(C#N)=C(N)O2 5066821 MVBPOVMTXWFKKY-OAHLLOKOSA-N 340.383 2.685 50 40 EFGB CCN1C(=O)/C(=N\NC(=O)c2cc(Cl)ccc2O)c2ccccc21 5686904 RGCQZGMAIFFOIM-CYVLTUHYSA-N 343.770 2.546 50 40 EFGB CN(C)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1 408541603 DLWNKCASHMXFHO-GDNBJRDFSA-N 335.363 2.996 50 40 EFGB COc1ccc2c(c1)c(C(=O)N/N=C\c1cccc(O)c1)c(C)n2C 33319060 VQYSXDXQAVSPLT-JAIQZWGSSA-N 337.379 2.965 50 40 EFGB O=C(NN=C1CCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 20755676 IJBOKOSWVSOXPS-UHFFFAOYSA-N 349.456 2.521 50 40 EFGB CN1CCC(=NNC(=O)COc2ccc(Cl)cc2Cl)CC1 59453934 QFADUJJRWCKICE-UHFFFAOYSA-N 330.215 2.570 50 40 EFGB COC[C@@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(-c2cc(C)on2)c1C 8205609 VWFGBFVPOJCHOI-WJHGTXIHSA-N 343.383 2.876 50 40 EFGB COc1ccc(C(=O)NNC2=CC(=O)C[C@H](c3ccco3)C2)cc1 408751529 UAWZYGPAKPDWPU-CYBMUJFWSA-N 326.352 2.553 50 40 EFGB COc1ccc(/C=N\NC(=O)/C(C#N)=C\c2ccc(OC)cc2)cc1 17063145 UWYUJRQTXQASMK-LEXHTVKUSA-N 335.363 2.761 50 40 EFGB CCOC(=O)c1c(C)[nH]c(C(=O)N/N=C/c2cccc(OC)c2)c1C 568518 CKUKILNJBSKZBQ-VXLYETTFSA-N 343.383 2.581 50 40 EFGB C/C(=N\NC(=O)CNc1ccccc1C)c1cccc([N+](=O)[O-])c1 583772 CWUFIOHPEBMPRN-CPNJWEJPSA-N 326.356 2.856 50 40 EFGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2cccs2)cc1 586805 GWXLQYAVEBWQMP-UHFFFAOYSA-N 332.425 2.886 50 40 EFGB Cc1cc(O)cc(O)c1/C=N/NC(=O)c1ccccc1Br 4735481 KSRWDYRXJBMMQW-CAOOACKPSA-N 349.184 2.933 50 40 EFGB C#CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)NC(C)C)cc1OC 408773427 KSZYZQRWBHMNPD-BOPFTXTBSA-N 338.407 2.867 50 40 EFGB CCOC(=O)/C(=C(\C)Nc1ccc(Cl)cc1)[C@@H]1CC(=O)OC1=O 100206999 SYASXUXWOKXKDP-IGVUGNCQSA-N 337.759 2.679 50 40 EFGB O=C(NNC(=O)c1c(F)cccc1F)c1cc(-c2ccccc2)on1 32848600 NTSJKIIJGOMGOE-UHFFFAOYSA-N 343.289 2.695 50 40 EFGB COCc1cc(C)nc(NNC(=O)c2ccccc2Cl)c1C#N 6626211 YXUUHEWWSDXMJB-UHFFFAOYSA-N 330.775 2.818 50 40 EFGB COc1ccc([C@@H]2[C@H](C#N)C(=C(C#N)C#N)N=C(C)[C@@H]2C(C)=O)cc1 103021718 HQSHBHYJDDWBSS-RCCFBDPRSA-N 332.363 2.900 50 40 EFGB CCOC(=O)[C@H](CC)/C(C)=N\NC(=O)COc1ccc(C)c(C)c1 408956177 PTOCVICCQXLQML-BAACNHRGSA-N 334.416 2.764 50 40 EFGB N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)NCc1cccnc1 13207199 CGBKRLXWHLRWDC-LFIBNONCSA-N 336.395 2.888 50 40 EFGB CCCN1CC=C2[C@@H](C1)[C@@H](c1ccsc1)C(C#N)=C(N)C2(C#N)C#N 19832303 PWHPYBBLANZBOJ-WBVHZDCISA-N 349.463 2.883 50 40 EFGB CCN(CC)S(=O)(=O)O[C@@H]1C[C@H]2c3ccccc3[C@H]1[C@@H]2Cl 229970186 NPXZNZLIYFGYSC-GBJTYRQASA-N 329.849 2.850 50 40 EFGB Cc1cc(Nc2ccccc2C(=O)NN)nc(-c2cccc(F)c2)n1 223465808 SHOGRQCJVWXWQJ-UHFFFAOYSA-N 337.358 2.938 50 40 EFGB CCS(=O)(=O)[C@H](Br)C(=O)c1cccc(Cl)c1 96517867 BPMGHZPTVZJACI-JTQLQIEISA-N 325.611 2.678 50 40 EFGB O=C(Cn1nc(C(F)F)cc1C(F)F)N/N=C/c1ccccc1O 374103 UJUHFDPFKPITOE-KPSZGOFPSA-N 344.268 2.614 50 40 EFGB O=S(=O)(OCCBr)c1ccc(Br)cc1 228951097 NCNZKTPWZMLNJD-UHFFFAOYSA-N 344.024 2.549 50 40 EFGB COC(=O)c1ccc(/C=N\NC(=O)COc2cccc(C)c2C)cc1 30838841 AZJXIVZUHPAUTE-JAIQZWGSSA-N 340.379 2.619 50 40 EFGB N#CC1=C(N)[C@@](C#N)(c2ccc([N+](=O)[O-])cc2)[C@H](C#N)[C@@H]2CCCC=C12 994158 FZNFUVUESUJZPJ-SUMDDJOVSA-N 345.362 2.972 50 40 EFGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc2c1OCO2 408936155 FPRMAWPHQQEJGO-OCKHKDLRSA-N 338.319 2.934 50 40 EFGB C/C(=N/NC(=O)CNC(=O)c1cccs1)c1ccc(Cl)cc1 4807794 CFNOJUJIMQDXCO-ZDLGFXPLSA-N 335.816 2.672 50 40 EFGB CCOc1ccc(CC(=O)N/N=C\c2cc(OC)ccc2OC)cc1 408711644 CRNLFXIAZJXQGC-MOSHPQCFSA-N 342.395 2.795 50 40 EFGB CN(C)c1ccc(/C=N/NC(=O)c2cccc(Br)c2)o1 408995111 JBYOGCDQRYETNU-CXUHLZMHSA-N 336.189 2.872 50 40 EFGB O=C(N/N=C/c1cccc(Cl)c1)c1[nH]ncc1Br 265816 DYSYJZXQOYSCPH-LHHJGKSTSA-N 327.569 2.590 50 40 EFGB CCOc1cc(C(=O)NN)ccc1OC(=O)c1cccc(Cl)c1 226307235 TYHXEOFSENCJMV-UHFFFAOYSA-N 334.759 2.561 50 40 EFGB COc1ccc(/C=N/NC(=O)CCOc2ccccc2C)cc1OC 98574 SFWJOSOXBFQRSM-DEDYPNTBSA-N 342.395 2.931 50 40 EFGB O=C(N/N=C/c1ccc(N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 564192 HBQCVCQQSMVOQG-CPNJWEJPSA-N 338.367 2.959 50 40 EFGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(O)cc1 536467 CWFGGRJJZFQFSP-UHFFFAOYSA-N 325.151 2.774 50 40 EFGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 36243705 MSCYMWDMIQKFRB-MUOOZZNISA-N 345.380 2.931 50 40 EFGB COc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)Nc1ccc(O)cc1 409375441 KUELBNZXZVSLGN-WQLSENKSSA-N 339.307 2.855 50 40 EFGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)c1ccc(F)cc1 408740737 LZSMKRCFPKDSDU-YODDIOPGSA-N 338.342 2.580 50 40 EFGB COC(=O)/C(C#N)=C\c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 252498179 QWEQYAOLAMEJBP-YFHOEESVSA-N 328.280 2.943 50 40 EFGB COc1ccccc1C(=O)N/N=C/c1cn(CC#N)c2ccccc12 6389328 QILCYWANRUWQMY-CIAFOILYSA-N 332.363 2.937 50 40 EFGB CCOC(=O)N/N=C1/C(O)=Nc2c(Br)cc(F)cc21 36274875 BPSKPZLCNAZFBK-UHFFFAOYSA-N 330.113 2.640 50 40 EFGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 435024 PCSOOCYWRIGYKC-VCHYOVAHSA-N 327.340 2.741 50 40 EFGB CC1(C)[C@H](C(=O)NNc2ncnc3ccccc23)CC[C@@]1(C)C(=O)O 6086110 JJYRYAFWRMDCDW-SGTLLEGYSA-N 342.399 2.600 50 40 EFGB CC1(C)C(C#N)=C(SCc2cccc([N+](=O)[O-])c2)NC(=O)[C@@H]1C#N 6584575 GXCBCSBDPQHKNX-LBPRGKRZSA-N 342.380 2.859 50 40 EFGB CCCSC1=C(C#N)[C@H](c2ccccc2)[C@@H](C(=O)OC)C(=O)N1 409145002 PSRTYEFFPKOQPD-UONOGXRCSA-N 330.409 2.568 50 40 EFGB COc1ccc(Br)cc1/C=N/NC(=O)c1cccnc1 248970 SGTXMGIZKZWYGL-RQZCQDPDSA-N 334.173 2.617 50 40 EFGB CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(Cl)c1O 3136655 KOQKTXGUAWQKPS-RPJLVFAOSA-N 348.786 2.628 50 40 EFGB CCCCCCc1ccc([C@@H](C)NNC(=O)C2=NNC(=O)[C@@H]2C)cc1 100937965 MPPNVTSKMXRIAH-ZIAGYGMSSA-N 344.459 2.613 50 40 EFGB CCOc1ccc(O)c(/C=N/NC(=O)c2cc(OC)cc(OC)c2)c1 8811239 DQMOWLMVLFFKLW-YBFXNURJSA-N 344.367 2.572 50 40 EFGB O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)c1ccco1 102955154 HSADMVXIBFVOIH-DYTRJAOYSA-N 345.358 2.961 50 40 EFGB CS(=O)(=O)[C@H](Br)[C@@H](O)c1ccc(Cl)cc1Cl 96519046 PJXIQQOTULEVNB-IUCAKERBSA-N 348.045 2.792 50 40 EFGB CCn1ncc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)c1F 252501933 UMBNYFFEEMXMGJ-JBROUNINSA-N 334.782 2.949 50 40 EFGB CCOc1ccc(/C=N/NC(=O)c2ccccc2N)c(OCC)c1 573164 VKHMQCNJLQFLLT-UDWIEESQSA-N 327.384 2.830 50 40 EFGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1O 254195 YLCXKDOYGJTUOX-RQZCQDPDSA-N 349.184 2.927 50 40 EFGB N#CC1=C(N)Nn2c(nnc2C(c2ccccc2)c2ccccc2)S1 20715332 NUOHUVJFDMXDQH-UHFFFAOYSA-N 346.419 2.759 50 40 EFGB O=C(Nc1ccc2c(c1)OCCO2)[C@H](Cl)C(=O)c1ccccc1 100746086 LMNCJAHIESJBQC-OAHLLOKOSA-N 331.755 2.887 50 40 EFGB O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)NC1CCCC1 59515587 HBIQCCWLMGLKOZ-CAOOACKPSA-N 328.199 2.502 50 40 EFGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H]([C@H]3C=CCCC3)[C@@H]2C1 4631596 BITFYVBSUMUQPK-QGTPRVQTSA-N 333.439 2.621 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)CSc2ccccn2)c(OC)c1 4869533 MOWXNGOEFGEJDS-XDHOZWIPSA-N 345.424 2.731 50 40 EFGB COc1cc(OC)c(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1Cl 408590690 QFXDJQUAZPNIGT-MWJIIQFGSA-N 348.786 2.541 50 40 EFGB COc1cc(/C=N/NC(=O)CC(C)C)cc(Br)c1O 5632790 REJNGOHURGJAKZ-VIZOYTHASA-N 329.194 2.660 50 40 EFGB C=CCOc1cccc(/C=N/NC(=O)COc2ccccc2OC)c1 5515182 XREBFWNHMOKPGO-DEDYPNTBSA-N 340.379 2.789 50 40 EFGB CC(C)Oc1ccc(C(=O)NNC(=O)CCc2ccccc2O)cc1 12973642 RNBSEQOIMXKMNB-UHFFFAOYSA-N 342.395 2.573 50 40 EFGB C[C@H](Sc1nc2ccccc2[nH]1)C(=O)NNC(=O)c1ccccc1 5270170 IAJDHAGRMOBHQT-NSHDSACASA-N 340.408 2.505 50 40 EFGB Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 7765162 NSMBNDGVRLUZEH-OAHLLOKOSA-N 326.396 2.840 50 40 EFGB Cc1ccc(O)c(/C=N/NC(=O)c2cc(Br)ccc2O)c1 408565777 AFXRCLIZABWIAF-CAOOACKPSA-N 349.184 2.933 50 40 EFGB CCCCC(=O)N/N=C\c1cccc(I)c1 31671985 CCESZXCOXKRETH-ZROIWOOFSA-N 330.169 2.932 50 40 EFGB Nc1ncc(Br)c(C(Br)Br)n1 100717576 RTKZAJDBCOUJIP-UHFFFAOYSA-N 345.820 2.610 50 40 EFGB COc1ccc(C(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)cc1OC 5494652 WITWHUQTXDGPRU-WOJGMQOQSA-N 343.339 2.766 50 40 EFGB O=C(CCCCl)NC(=S)Nc1cc(C(=O)O)ccc1Cl 6861771 IZNYQXKNQHTQDS-UHFFFAOYSA-N 335.212 2.870 50 40 EFGB Cc1ccc(NC(=O)CCl)cc1S(=O)(=O)N1CCCCCC1 3885226 CMPYPKOWJCBPRI-UHFFFAOYSA-N 344.864 2.737 50 40 EFGB N#C/C(=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccn1 5692894 CRNCDWZRAIPMBI-RVDMUPIBSA-N 336.351 2.891 50 40 EFGB Cc1ccc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)c1 19818198 QHMKIXUOAUYQTO-RBUKOAKNSA-N 343.434 2.659 50 40 EFGB CC(C)Oc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1 43914938 VWYJJRKCSYGSOV-JLWFYQMASA-N 340.379 2.764 50 40 EFGB CCOC(=O)C1=C(C)NC(=C(C#N)C#N)[C@@H](C#N)[C@H]1c1ccc(C)cc1 85409482 JTATXROTGXINLB-FUHWJXTLSA-N 346.390 2.960 50 40 EFGB CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C(/C#N)C(N)=O)cs1 48265426 OYPOMDXMFIVRST-QPEQYQDCSA-N 340.408 2.837 50 40 EFGB Cc1cccc2c1OCC/C2=N/NC(=O)Cc1nc2ccccc2n1C 63367138 QVQABOBVPALJNM-JCMHNJIXSA-N 348.406 2.727 50 40 EFGB O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccncc1 4704245 BUZWHBCYYWFMMO-UHFFFAOYSA-N 347.374 2.589 50 40 EFGB C[C@@H](Oc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1)C(=O)O 39557332 XULKJKDTBUOODN-VURRPDKYSA-N 346.770 2.956 50 40 EFGB O=C(CCl)N(c1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1 40177496 WPZBJTSQELXTFO-ZDUSSCGKSA-N 337.828 2.599 50 40 EFGB CCN(CC)c1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1 349399 UEMNXWIBYPWNQD-SQVRNEIYSA-N 325.412 2.717 50 40 EFGB C=CCc1cc(/C=N/NC(=O)c2ccncc2)cc(OCC)c1O 713416 MVZSVWOBKIORNF-UDWIEESQSA-N 325.368 2.678 50 40 EFGB COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccc(Cl)cc2)c1O 12406836 MKVFWHIGTPZBIR-IUXPMGMMSA-N 349.730 2.726 50 40 EFGB N#C/C(=C/c1ccccc1)C(=O)OCC(=O)N1CCc2ccccc2C1 3276151 BTTGDWFYHPMYLB-UNOMPAQXSA-N 346.386 2.722 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)CNc2ccc(F)cc2)cc1OC 5494555 QKMDNZURDMYHSY-CIAFOILYSA-N 345.374 2.795 50 40 EFGB N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(N)=O 5595288 LVQFDAIUMKPYLA-GXDHUFHOSA-N 344.374 2.672 50 40 EFGB CN1C(=C(C#N)C(=O)COc2ccc(C#N)cc2)N(C)c2ccccc21 2663166 UDWUTSJKAFKSMP-UHFFFAOYSA-N 344.374 2.828 50 40 EFGB NNC(=O)c1ccc(OC[C@@H]2CC(c3ccc(Cl)cc3)=NO2)cc1 545284 MKINSECEEKEMEG-HNNXBMFYSA-N 345.786 2.516 50 40 EFGB COc1ccccc1NC(=O)C(=O)N/N=C(/C)CCc1ccccc1 59515768 VJWRHOULADLBRG-STZFKDTASA-N 339.395 2.759 50 40 EFGB CCOc1ccc(C(=O)N/N=C/c2ccc(OC)cc2OC)cc1 5953588 UMMGPFDIQGQYMH-XDHOZWIPSA-N 328.368 2.866 50 40 EFGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(C)s3)CC2=O)cc1 96504893 FCSKADSAIJEVRM-VAODSVERSA-N 341.436 2.868 50 40 EFGB O=C(N/N=C\c1c(O)ccc2ccccc12)[C@@H]1COc2ccccc2O1 13563862 DOWSORIDOINJND-POJBONIESA-N 348.358 2.836 50 40 EFGB Cc1n[nH]c2c1[C@@H](c1ccc(F)c(Br)c1)C(C#N)=C(N)O2 340081 NQBBOHMULTUCFM-LBPRGKRZSA-N 349.163 2.838 50 40 EFGB CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccsc4)[C@@H]3[C@H]1CC2 4102601 FJJCTRCHQLJSEN-IEAZIUSSSA-N 347.447 2.634 50 40 EFGB N#CC1=C(N)N(c2ccc(Cl)cc2Cl)C(Cl)=C(C#N)[C@H]1O 494807 ZYXAUDKRXXBBOA-LLVKDONJSA-N 341.585 2.842 50 40 EFGB O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccccc1 108904745 CQSDDDDAXGWXBT-CIAFOILYSA-N 329.359 2.950 50 40 EFGB COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1O 108407581 ODNZRJJYESQSQH-IUXPMGMMSA-N 349.730 2.726 50 40 EFGB O=C(CSCc1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] 20248444 GDEQJNMHTHRHAY-LICLKQGHSA-N 329.381 2.978 50 40 EFGB O=C(N/N=C/c1cccc(I)c1)c1ccco1 4524164 NJKBBDODKZJXKU-RIYZIHGNSA-N 340.120 2.648 50 40 EFGB CCOc1ccc(C(=O)NNC(=O)c2ccccc2OCC)cc1 14234319 UOAPYIRRLKDUMJ-UHFFFAOYSA-N 328.368 2.559 50 40 EFGB CCOc1ccccc1/C=N\NC(=O)CCn1cnc2ccccc21 32679254 KNVLBHGKHLWUDO-BKUYFWCQSA-N 336.395 2.975 50 40 EFGB C=CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NNc1ccccc1 5601030 XCMCEIKRCBGVGS-QGZVFWFLSA-N 339.395 2.653 50 40 EFGB CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccs3)[C@@H]2C1 100685001 DHUMSAGOMXLYKP-WBVHZDCISA-N 349.463 2.882 50 40 EFGB CO[C@H](C(=O)NNC(=O)c1ccc(C)c(Cl)c1)c1ccccc1 4613920 ATZILACKYMWITO-HNNXBMFYSA-N 332.787 2.797 50 40 EFGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1O 409262123 FIDJDVPTSIUQKK-VXLYETTFSA-N 345.786 2.697 50 40 EFGB COc1cccc(/C=N/NC(=O)CSc2ccc(C)cc2)c1O 46589130 BCUNTEPXKKINNR-VCHYOVAHSA-N 330.409 2.952 50 40 EFGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2cccc(OC)c2)cc1 524075 KWWNAAUVGJLKSD-XDHOZWIPSA-N 325.368 2.808 50 40 EFGB CCN1C(=O)/C(=N/NC(=O)c2ccccc2O)c2cc(Cl)ccc21 100796274 VORFRYCJDREYGD-XDJHFCHBSA-N 343.770 2.546 50 40 EFGB CCCCN(C)c1ccc(C(=O)NNC(=O)c2ccccc2)cc1 58160337 AVSLTSXGGXOBSI-UHFFFAOYSA-N 325.412 2.998 50 40 EFGB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CCl)c1 3885253 SZWHNNIMDJTBKV-UHFFFAOYSA-N 338.816 2.689 50 40 EFGB COC(NC(=O)NNc1ccccc1)(C(F)(F)F)C(F)(F)F 4207855 ZTOAOIYSBLRSTD-UHFFFAOYSA-N 331.216 2.780 50 40 EFGB CN(C[C@H]1CCCN(C(=O)CCl)C1)C(=O)OCc1ccccc1 79411862 FUFNBCMLEVZCEH-OAHLLOKOSA-N 338.835 2.732 50 40 EFGB CS(=O)(=O)[C@@H](Br)C(=O)c1ccc(Cl)cc1Cl 96517852 XXRLOHGJEUGAKJ-SECBINFHSA-N 346.029 2.942 50 40 EFGB C/C(=N/NC(=O)COc1ccc(C)cc1)c1ccc2c(c1)OCCO2 5003567 GXVIBNNADZMXNS-ZHZULCJRSA-N 340.379 2.685 50 40 EFGB CCO[Si](OCC)(OCC)c1cccc(O[C@H]2CCCCO2)c1 575182176 CGJRYALFGOOZKO-KRWDZBQOSA-N 340.492 2.847 50 40 EFGB NNC(=O)/C(=C/c1cccc2ccccc12)NC(=O)c1ccccc1 4811349 HTDFQQJYEVCTML-AQTBWJFISA-N 331.375 2.601 50 40 EFGB Cc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 281990 FSBDENDVFZZYRC-UHFFFAOYSA-N 333.731 2.631 50 40 EFGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1 104476454 ITBZBURAUQTZLM-VKAVYKQESA-N 337.379 2.576 50 40 EFGB C/C(CC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)c1cccs1 100090026 XJSPYEZRJCJBOG-LICLKQGHSA-N 346.368 2.791 50 40 EFGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(Cl)c2)c1C 409167585 IQXASVXPZKDOOX-DJKKODMXSA-N 345.786 2.751 50 40 EFGB COc1cccc(/C=N\NC(=O)c2ccc(N3CCCC3)cc2)c1O 408676101 FITDOWJKRQQOBX-MOSHPQCFSA-N 339.395 2.765 50 40 EFGB Cc1n[nH]c(C)c1CCC(=O)N/N=C\c1ccccc1Br 31841394 CXULACQOVZJJFC-MFOYZWKCSA-N 349.232 2.872 50 40 EFGB F[C@@H]1C[C@@H]2[C@H](Br)[C@@H]1NC2(C(F)(F)F)C(F)(F)F 100145465 QETLGKWBLPLOEM-SQOUGZDYSA-N 330.041 2.943 50 40 EFGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1O 30817634 OXMWWTWFBADNBS-IUXPMGMMSA-N 349.730 2.726 50 40 EFGB COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1 2697912 MPNRCTZACIILLZ-HNNXBMFYSA-N 348.786 2.611 50 40 EFGB O=C(NNC(=O)C1CC1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 29434781 GMIZHOQNMRMXBK-GOSISDBHSA-N 348.406 2.551 50 40 EFGB Cc1[nH]nc2c1[C@H](c1ccc(Br)cc1F)C(C#N)=C(N)O2 5042765 CFBADFINGHWXAI-GFCCVEGCSA-N 349.163 2.838 50 40 EFGB COc1ccc(OC)c(/C=N/NC(=O)COc2cc(C)cc(C)c2)c1 4703529 NLXMANDYPLOCKF-RGVLZGJSSA-N 342.395 2.850 50 40 EFGB O=C(NNC(=S)NCc1cccs1)c1c[nH]c2ccccc12 8389657 BPYCXQYQFBARTM-UHFFFAOYSA-N 330.438 2.539 50 40 EFGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1 17070838 MKJJTVZUNOKFLE-KPKJPENVSA-N 337.291 2.869 50 40 EFGB O=C(O)c1ccc(CBr)c(I)c1 98210792 NKFSSHMERMOVGK-UHFFFAOYSA-N 340.942 2.884 50 40 EFGB CC(C)(C)c1ccc(S(=O)(=O)NC2(CCCl)COC2)cc1 585139342 JCOOQWDVSOSERZ-UHFFFAOYSA-N 331.865 2.660 50 40 EFGB CC(C)Cn1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cn1 253400867 MBRPAJYEFCHHOR-MRXNPFEDSA-N 340.427 2.990 50 40 EFGB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/c1cccs1 365401 SOFAYHWBWRDGGT-VIZOYTHASA-N 339.760 2.839 50 40 EFGB CCCCC(=O)NNC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1801617 KTBMWFCIZJFCIM-UHFFFAOYSA-N 331.328 2.806 50 40 EFGB CN(C)c1cccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1 5692899 IYPDQYQRINVFJI-UHFFFAOYSA-N 341.455 2.730 50 40 EFGB COc1cc(/C=N/NC(C)=O)ccc1OC(=O)c1ccc(F)cc1 5726125 GGDPVPSTNYDRQD-VXLYETTFSA-N 330.315 2.524 50 40 EFGB O=C(N/N=C1\CCc2c(Cl)cccc21)[C@H]1COc2ccccc2O1 84583048 ZABVMOVFEMLNLV-HDAKKWKLSA-N 342.782 2.947 50 40 EFGB N#C/C(=C/c1ccccc1OCC(=O)O)C(=O)Nc1ccc(F)cc1 72117940 DULUUYHYZUDVLJ-LCYFTJDESA-N 340.310 2.835 50 40 EFGB CCc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1ccccc1N 4180229 BAPBYBRZJRAGEM-LPYMAVHISA-N 338.411 2.966 50 40 EFGB N#C/C(=C(/O)CN1C(=O)c2ccccc2C1=O)c1nc2ccccc2[nH]1 101664619 UHUDATOASYMVBS-SSZFMOIBSA-N 344.330 2.652 50 40 EFGB CC1CC(=O)C([C@H]2c3ccccc3CCN2C(=O)CCl)C(=O)C1 4730606 NBBCDHNHLILOSC-JLBWCALKSA-N 333.815 2.536 50 40 EFGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)cc2)CC(=O)N1 9110520 CNDDFAJGSLBTQM-CYBMUJFWSA-N 330.409 2.630 50 40 EFGB N#CCn1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c2ccccc21 409230569 ZMJWMDQUNNZPBL-UUYOSTAYSA-N 334.354 2.997 50 40 EFGB CC(=O)N1C[C@H](C(=O)NNc2cccc(Cl)c2)Oc2ccccc21 30612422 TXFXGWDAVIFIJK-MRXNPFEDSA-N 345.786 2.597 50 40 EFGB CCO[C@H]1c2sc3nc[nH]c(=O)c3c2CC[C@H]1Br 126459 ZNNJIQIYDOTXDM-VXNVDRBHSA-N 329.219 2.772 50 40 EFGB C/C(N)=C(\C#N)C(=O)COc1ccc(Br)cc1Cl 104617580 BURXTMLYBALSLG-CLFYSBASSA-N 329.581 2.807 50 40 EFGB CCn1nc(C(=O)NN=C2CCCCCC2)c2ccccc2c1=O 6685797 NUZOBICDTVMNOD-UHFFFAOYSA-N 326.400 2.856 50 40 EFGB CCOc1ccc(C(=O)N/N=C\c2ccc(O)c(OC)c2)cc1OC 409321296 FMAUQJFSUOQSDB-ODLFYWEKSA-N 344.367 2.572 50 40 EFGB CCOC(=O)/C(C#N)=C1/C(=O)N(CC)c2ccc(Br)cc21 409147371 WCWBELMVSJPZRK-ACCUITESSA-N 349.184 2.656 50 40 EFGB Cc1ccc(-n2nnnc2/C=C\N(CCCl)CCCl)cc1 100018132 LWVMHUUIXPCAIO-TWGQIWQCSA-N 326.231 2.721 50 40 EFGB CC(=O)Oc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1 58803 OJFPQBRKHVQGNW-VXLYETTFSA-N 346.770 2.794 50 40 EFGB COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1O 48136 HFWWPJGYQOWDNB-RQZCQDPDSA-N 349.184 2.927 50 40 EFGB Cc1csc(SCC(=O)/C(C#N)=C2/NN=C3CCCCCN32)n1 105075095 GICNYCQRGOFIGF-KAMYIIQDSA-N 347.469 2.641 50 40 EFGB Cc1ccc([C@@H](NC(=O)N2CCN(C)CC2)C(Cl)Cl)cc1F 59830133 HTRVCWYXHHFIIF-CYBMUJFWSA-N 348.249 2.936 50 40 EFGB CCn1cccc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 408967056 RWLRTOQMPCUDIF-LICLKQGHSA-N 326.312 2.926 50 40 EFGB O=C(N/N=C(\c1ccccc1)c1ccncc1)c1ccc2c(c1)OCO2 4646769 CEAJMPBIBLQEOY-ZBJSNUHESA-N 345.358 2.993 50 40 EFGB CCOC(=O)c1c(N/C(C)=C(\C#N)C(N)=O)sc2c1CC[C@@H](C)C2 6850295 CACLKASASTWTHR-UUOLZROSSA-N 347.440 2.744 50 40 EFGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408882554 QUADHSWJWLKOOV-ZKSSWXPGSA-N 346.343 2.779 50 40 EFGB O=C1CC2(CCCCC2)CC(=O)C1=CNNC(=O)c1ccccc1F 9602213 WJGMYHNZMFBJQZ-UHFFFAOYSA-N 344.386 2.827 50 40 EFGB Cc1ccc([C@](O)(CBr)C(=O)CBr)cc1 2144087 XIYIOFGVQCXODA-LLVKDONJSA-N 336.023 2.542 50 40 EFGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Cl)ccc1O 5944741 CWXLGMBKUQPZPT-RQZCQDPDSA-N 333.731 2.647 50 40 EFGB Cc1cc(/C=C(\C#N)C(=O)N(C)C)c(C)n1-c1ccc([N+](=O)[O-])cc1 59333529 IJOVYMDRLFCXJK-XNTDXEJSSA-N 338.367 2.998 50 40 EFGB C[C@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)[C@@H]1CC=CCC1 8984378 YOCRLSGLKBGOGE-NWDGAFQWSA-N 344.440 2.600 50 40 EFGB CCOc1cc(/C=N\NC(=O)COc2cccc(C)c2C)ccc1O 30838787 IKTHGTYFKPMEOJ-JAIQZWGSSA-N 342.395 2.937 50 40 EFGB O=C(N/N=C/c1ccc(Br)c([N+](=O)[O-])c1)c1cccnc1 4616785 LJGFYFMCWQPEOC-FRKPEAEDSA-N 349.144 2.516 50 40 EFGB CC(C)Cc1ccc([C@@H](C)C(=O)OC(=O)[C@@H](N)CCCCN)cc1 100042838 UDFIJSGWMGUNFK-PBHICJAKSA-N 334.460 2.515 50 40 EFGB COC(=O)/C(C#N)=C/c1c(Oc2ccccc2)nc2ccccn2c1=O 484963 MJJHPEBJSZLGEP-ACCUITESSA-N 347.330 2.567 50 40 EFGB CCC[C@H](Br)C(=O)NCCC(=O)Nc1ccccc1 8733002 XRKLOWUYHHWRCP-LBPRGKRZSA-N 327.222 2.695 50 40 EFGB C[C@H](Nc1cccc(Br)c1)C(=O)N/N=C/c1cccnc1 2748167 QWNRUGMVTJHJHV-HPAYWCODSA-N 347.216 2.795 50 40 EFGB CC[C@H](Br)C(=O)NCCC(=O)Nc1ccc(C)cc1 8733085 KFKCPXHEKNEBPA-LBPRGKRZSA-N 327.222 2.613 50 40 EFGB CCOc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC 408966228 KPOMBHJXJNDKSV-SRZZPIQSSA-N 341.342 2.869 50 40 EFGB CCCOc1ccc(/C=N/NC(=O)CSc2ncccn2)cc1 6265015 KQJAWPVPZIGQLI-YBFXNURJSA-N 330.413 2.508 50 40 EFGB CCOc1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 409179841 UFVMFVOPZQFKDK-WOJGMQOQSA-N 343.339 2.766 50 40 EFGB C/C(CCc1ccc2c(c1)OCO2)=N\NC(=O)c1ccc(O)cc1 4863677 UCQNAEXILNESKV-XDHOZWIPSA-N 326.352 2.859 50 40 EFGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cccc(OCC(=O)O)c1 408816316 YGMDMKHQZRRHAT-TWWDRGBLSA-N 342.395 2.752 50 40 EFGB Cc1ccc(N[C@H](C)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 36046208 JGISAJGBGGELBM-SGEFVQMOSA-N 342.355 2.560 50 40 EFGB O=C(N/N=C\c1ccc(N2CCCC2)c(F)c1)c1ccccc1O 33734240 VESSEQKMDYNQRA-NDENLUEZSA-N 327.359 2.895 50 40 EFGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C)cc2)cc1Cl 59515450 FXZYQLKJVMVSFI-VXLYETTFSA-N 345.786 2.746 50 40 EFGB Cn1cc(C(=O)NNC(=O)C(F)(F)c2ccccc2)c2ccccc21 44985390 YLSVKHAFPIPMNR-UHFFFAOYSA-N 343.333 2.731 50 40 EFGB COc1ccc(-c2n[nH]c3c2[C@@H](c2ccncc2)C(C#N)=C(N)O3)cc1 4901912 NNAUQUULQPNDCY-HNNXBMFYSA-N 345.362 2.698 50 40 EFGB O=C(COc1ccc(Cl)cc1Cl)NNCc1ccccc1O 9871633 IZUFANLMEVJBRK-UHFFFAOYSA-N 341.194 2.899 50 40 EFGB O=C(COc1cccc(Cl)c1)N/N=C\c1cccc([N+](=O)[O-])c1 30802311 BUABKTPCGXRWFD-MFOYZWKCSA-N 333.731 2.777 50 40 EFGB CCN(C(=O)OCc1ccccc1)[C@H]1CCCN(C(=O)CCl)C1 79411933 KKVIMCATPDQPDU-HNNXBMFYSA-N 338.835 2.875 50 40 EFGB CC(C)(C)c1ccc(O)c(/C=N/NC(=O)[C@H](O)c2ccccc2)c1 135220 QQQCEOYDKUOCPO-XNHPLOEXSA-N 326.396 2.873 50 40 EFGB Cc1sc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 2729417 LOSILQZNLCVQNT-VGOFMYFVSA-N 334.313 2.637 50 40 EFGB N#C[C@@H](NNC(=O)Cc1ccccc1)c1c(O)ccc2ccccc12 6574949 YYJNDSBCWFLUBU-QGZVFWFLSA-N 331.375 2.974 50 40 EFGB CCn1c(C)cc2c(c1=O)[C@@H](c1cccc(F)c1)C(C#N)=C(N)O2 2340026 XHRAAUIPOLDJIS-HNNXBMFYSA-N 325.343 2.534 50 40 EFGB CC(=O)NNC(=O)c1cc2sc(Nc3ccccc3)nc2s1 9468904 AEQXXBJWLHONPB-UHFFFAOYSA-N 332.410 2.882 50 40 EFGB O=C(Cn1ccc2ccccc21)NNC(=O)c1cc2c(s1)CCC2 84598659 LZGBQBGCJUAQLI-UHFFFAOYSA-N 339.420 2.653 50 40 EFGB N#C/C(=C\c1ccc(-c2ccccc2C#N)o1)C(=O)N1CCOCC1 409006237 IFZAAXJCZWGVGJ-RVDMUPIBSA-N 333.347 2.584 50 40 EFGB C=CCOc1ccc(/C=N/NC(=O)c2ccncc2)cc1OCC 408863524 NDJVUHCABNRWLQ-DEDYPNTBSA-N 325.368 2.809 50 40 EFGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)c1ccc(C)cc1 408742736 XZXOUWDUFBEGKO-RONKMWSCSA-N 334.379 2.750 50 40 EFGB CCOc1cc(/C=N/NC(N)=O)ccc1OCc1ccc(C)cc1 41223850 OZIZBBNQBLSKAU-RGVLZGJSSA-N 327.384 2.975 50 40 EFGB Cc1cc(/C=C(\C#N)C(=O)N2CCOCC2)c(C)n1-c1ccccc1 277554 DRSJOIWQNWMDHC-QGOAFFKASA-N 335.407 2.860 50 40 EFGB COc1cccc(C(=O)NNC(=O)c2ccc(Br)cc2)c1 325204 WASSMENMOKCJDU-UHFFFAOYSA-N 349.184 2.533 50 40 EFGB Cc1ncsc1C(=O)NNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 104641383 FVZIRLQOCRMVMH-VXGBXAGGSA-N 335.816 2.670 50 40 EFGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(C)nc3ccccn23)c1 5070998 NOSPZHBUAPLRFR-WSDLNYQXSA-N 349.394 2.755 50 40 EFGB Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccccc1F 409071841 SKHJYJVRWRKPMZ-FYJGNVAPSA-N 341.386 2.735 50 40 EFGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccc(O)cc1 408998941 JNDLZXQJWMTXHR-QGMBQPNBSA-N 328.759 2.766 50 40 EFGB CCC[C@@H](C(=O)OCC)/C(C)=N\NC(=O)COc1ccccc1C 408947603 BDCHCDAJSZXKSS-ATPAHOSSSA-N 334.416 2.845 50 40 EFGB COc1ccc(C(=O)[C@@H](Cl)[C@@H](SCCCl)C(=O)O)cc1 5513624 LJFLRVNETZRAHB-ZYHUDNBSSA-N 337.224 2.911 50 40 EFGB Cc1nn(C)c(Sc2ccccc2NC(=O)CCl)c1[N+](=O)[O-] 159948 TZOUXXNVQWAKEX-UHFFFAOYSA-N 340.792 2.965 50 40 EFGB COc1ccc(N/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cn1 100943526 CBOOYKDZPYWKEM-GXDHUFHOSA-N 349.799 2.994 50 40 EFGB COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)OC(C)(C)C)cc1 101418131 GIGPZUPQEALEGQ-DEDYPNTBSA-N 349.431 2.645 50 40 EFGB CO[C@H](C(=O)N/N=C(\C)c1cccc(NC(C)=O)c1)c1ccccc1 4714642 UQINCLPDGJFHHG-LANLRWRYSA-N 339.395 2.873 50 40 EFGB O=C(COc1ccccc1Cl)N/N=C/c1ccccc1C(=O)O 13338106 SXWVAUVUJMPJAX-GIJQJNRQSA-N 332.743 2.567 50 40 EFGB Cc1c(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)sc(=S)n1C 28628645 FKBPVRANERTSSP-AUWJEWJLSA-N 336.398 2.797 50 40 EFGB CN(C[C@@H]1CCCCN1C(=O)CCl)C(=O)OCc1ccccc1 79411868 DKHISFMLTJJNKT-HNNXBMFYSA-N 338.835 2.875 50 40 EFGB O=C(CNc1ccccc1)N/N=C/c1cc(Br)ccc1O 252304 QPUBKBSCDNQUMR-GIJQJNRQSA-N 348.200 2.717 50 40 EFGB O=C(NC(=S)NNC(=O)C1CCCCC1)c1cccc(Cl)c1 12137243 YALPQOGFFJQVNG-UHFFFAOYSA-N 339.848 2.556 50 40 EFGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1cccc(F)c1 4743832 HEEZZSPCTVPKOO-HNNXBMFYSA-N 346.317 2.967 50 40 EFGB C=CCOc1ccc(C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 14018969 FZCPVGJZFXLOJH-XDHOZWIPSA-N 326.352 2.730 50 40 EFGB COc1ccc(Cl)cc1C(=O)N/N=C/c1ccc2c(c1)OCO2 5527184 MCGHWJOAMFTUPT-QGMBQPNBSA-N 332.743 2.841 50 40 EFGB O=C(NNC(=O)c1cccs1)N[C@H]1CCSc2ccccc21 40498083 WOEDQKFZRNMJSV-NSHDSACASA-N 333.438 2.929 50 40 EFGB C/C(=N\NC(=O)NCC1CC1)c1cnn(-c2ccc(F)cc2)c1C 98055408 KJVDLWJVWIOIRS-SRZZPIQSSA-N 329.379 2.753 50 40 EFGB C[N+](C)(C)CC(Br)(Br)CBr 3164423 QBTYKVHDZAGOPE-UHFFFAOYSA-N 338.889 2.574 50 40 EFGB O=C(COc1ccc2oc3ccccc3c2c1)NNc1ncccn1 44715998 NCXWKFUWUQCXBC-UHFFFAOYSA-N 334.335 2.898 50 40 EFGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)cc1 3469462 LKGUGBRHUPCWDM-REZTVBANSA-N 347.714 2.741 50 40 EFGB COC(=O)N/N=C/c1cccc(OCCOc2cccc(OC)c2)c1 4525967 CGSCLZCZIAANNS-CPNJWEJPSA-N 344.367 2.843 50 40 EFGB C/C(=N\NC(=O)COc1cccc(C)c1)c1ccc(C(=O)O)s1 7712091 UWCKDUGZUMSWPS-GZTJUZNOSA-N 332.381 2.674 50 40 EFGB COc1cc(Cl)c(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1OC 408591164 RTAHZYLLLBUFNY-JJLFXSABSA-N 348.786 2.541 50 40 EFGB N#CCOc1ccccc1/C=N/NC(=O)Cc1ccc(Cl)cc1 46589811 HHCQGOPTNPUVHL-UDWIEESQSA-N 327.771 2.935 50 40 EFGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC(C)C)cc1 5791543 QRNNXNVDBHSKNP-INIZCTEOSA-N 328.368 2.728 50 40 EFGB C[C@H]1CN([C@@H](CNC(=O)CCl)c2c(F)cccc2Cl)CCO1 1116437895 SOJXJGIFNBSBHV-GWCFXTLKSA-N 349.233 2.596 50 40 EFGB CN(NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 10737541 DVZHAGXBGBFWDB-UHFFFAOYSA-N 340.383 2.976 50 40 EFGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C(=O)N1CCCCCC1 59459706 QNJCSOGHORHELZ-VCHYOVAHSA-N 342.226 2.846 50 40 EFGB COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(=O)[nH]c1ccccc21 18223110 RKLQLDQZYRKENI-INIZCTEOSA-N 345.358 2.755 50 40 EFGB O=C(CNc1ccc(Cl)cc1)NNC(=O)c1ccc(Cl)cc1 65500981 CTBAPHQMWUXPFL-UHFFFAOYSA-N 338.194 2.867 50 40 EFGB O=C(NNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1Cl 7386269 WUKIPRRISBZIMW-UHFFFAOYSA-N 345.207 2.617 50 40 EFGB N#C/C(=C/c1cccc(OCc2ccccc2F)c1)C(=O)NC(N)=O 409222853 XVYDZCULWQIEDW-ZSOIEALJSA-N 339.326 2.507 50 40 EFGB COc1nc2sccn2c1/C=N/NC(=O)c1cccc(Cl)c1 36784413 AQIDDMGXUAKPHK-LZYBPNLTSA-N 334.788 2.822 50 40 EFGB CC1=C(C#N)C(=O)NC(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 96193579 ICTKVVDOXOJKID-JYRVWZFOSA-N 349.302 2.735 50 40 EFGB COc1ccc(-c2cc(C(=O)NN=Cc3ccc(O)cc3)[nH]n2)cc1 245070481 QLNUEIZHRBTKNO-UHFFFAOYSA-N 336.351 2.555 50 40 EFGB Cc1cc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)c(C)s1 117765 JQAPQHMTDQQOMC-INIZCTEOSA-N 342.468 2.942 50 40 EFGB C/C(CC(=O)NCc1ccccc1)=N\NC(=O)c1cccc(C)c1O 4904462 CDFNDJHRJFNBBI-KGENOOAVSA-N 339.395 2.513 50 40 EFGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1sccc1C 6783764 ATWUESLMDZAAEC-NSHDSACASA-N 338.816 2.920 50 40 EFGB Cc1nn(-c2ccccc2)c(C)c1C(=O)NNC(=O)c1ccccc1 5824718 IWLSJCCMPSTYOP-UHFFFAOYSA-N 334.379 2.564 50 40 EFGB COc1cc(/C=N/NC(=O)C2[C@@H]3CCCC[C@@H]23)cc(OC)c1OC 100050691 YTBVKQCZRNEDCW-MDCKCIHZSA-N 332.400 2.599 50 40 EFGB COc1ccc(N/C=C(/C#N)S(=O)(=O)c2ccc(OC)cc2)cc1 100676521 UGFBMMIWAJANNA-ATVHPVEESA-N 344.392 2.955 50 40 EFGB NNC(=O)/C(=C\c1cccc2ccccc12)NC(=O)c1ccccc1 509899 HTDFQQJYEVCTML-QGOAFFKASA-N 331.375 2.601 50 40 EFGB C[C@@H]1Cc2cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2O1 408710855 QAYJHXLJAMHSDF-IPHDDYSGSA-N 325.324 2.682 50 40 EFGB CN(C)c1ccc(/C=N\NC(=O)c2ccc(Br)cc2)o1 4503219 XQDDEBPJHUGKBE-SXGWCWSVSA-N 336.189 2.872 50 40 EFGB C=CCOc1ccc(/C=C(\C#N)C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 16699671 MFARPPAEPOCFMT-UAFQZRAQSA-N 326.396 2.794 50 40 EFGB CCOc1ccccc1/C=N\NC(=O)Cc1ccc2c(c1)OCCO2 409364742 PAMZEGPHVXCAPA-MOSHPQCFSA-N 340.379 2.549 50 40 EFGB C[C@@H](Sc1ccccc1)C(=O)N/N=C1/C(=O)N(C)c2ccccc21 409331789 PVDJYSIDZNPNBD-OHEASWGXSA-N 339.420 2.664 50 40 EFGB CC(C)/N=C1\S[C@H]2CS(=O)(=O)[C@@H](Br)[C@]2(C)S1 5230157 LGLVMTROHNJGDS-VBBFMYBLSA-N 344.321 2.508 50 40 EFGB COc1ccc(CC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)cc1 5494591 MMCLLALWWYWVKW-DEDYPNTBSA-N 342.395 2.795 50 40 EFGB O=C(CCc1c[nH]c2ccccc12)N/N=C1/C(=O)Nc2ccccc21 100541594 SIKIKUGXRACDLP-UHFFFAOYSA-N 332.363 2.573 50 40 EFGB CCOc1ncccc1C(=O)NNc1ncnc2sc(C)c(C)c12 3373956 WBXPAZCGTZBUMI-UHFFFAOYSA-N 343.412 2.859 50 40 EFGB CNC(=O)/C(C#N)=C\c1cccn1-c1cccc(Br)c1 409018999 ZYAVDLGVVMWYMT-FLIBITNWSA-N 330.185 2.893 50 40 EFGB CN(CCOc1ccccc1)CC(=O)C(C#N)=C1Nc2ccccc2N1 36387110 WBDKSYGREUJBGQ-UHFFFAOYSA-N 348.406 2.839 50 40 EFGB CS(=O)(=O)[C@H](Br)C(=O)c1ccc(Cl)cc1Cl 96517851 XXRLOHGJEUGAKJ-VIFPVBQESA-N 346.029 2.942 50 40 EFGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2ccncc2)o1 574757 SMYAHPCWBBFPNO-CIAFOILYSA-N 349.346 2.892 50 40 EFGB O=C(N/N=C/c1ccc(O)c(O)c1)c1ccccc1Br 5678908 UYNZEQLOIZYYEI-LZYBPNLTSA-N 335.157 2.624 50 40 EFGB O=C(NNC(=O)c1ccccc1F)c1cccc(C(F)(F)F)c1 2624510 RMTBLIGNPWVLTR-UHFFFAOYSA-N 326.249 2.919 50 40 EFGB Cc1cccc(C(=O)N/N=C/c2cn(CCC(N)=O)c3ccccc23)c1 6967161 PTIVQLTXZIKCHU-WSDLNYQXSA-N 348.406 2.589 50 40 EFGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC 7893615 LSQLHQCWSPQCTL-WOJGMQOQSA-N 343.339 2.766 50 40 EFGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(N(C)C)o2)cc1 564006 AZHSCZHQUOGWFX-GXDHUFHOSA-N 325.368 2.578 50 40 EFGB Cc1cc(CN(Cc2cc(C)no2)C[C@H](CCl)n2cccn2)on1 69583027 JNSQZMLOOLFWAX-AWEZNQCLSA-N 349.822 2.958 50 40 EFGB CCOc1ccccc1/C=N/NC(=O)Cc1ccc(OC)c(OC)c1 4735444 UMBVSKPKGFIWOO-DEDYPNTBSA-N 342.395 2.795 50 40 EFGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c([N+](=O)[O-])c1 5766836 JSJBRFSQTSOZMO-LZYBPNLTSA-N 348.702 2.920 50 40 EFGB N#C/C(N)=C(C#N)\N=C/c1ccc(N(CCCl)CCCl)cc1 104228737 LGPBCPZUKQPRRC-OSRBHGMHSA-N 336.226 2.607 50 40 EFGB Cc1occc1C(=O)NNC(=O)N1CC=C(c2ccccc2)CC1 23109071 XRORQYUCJOGZDK-UHFFFAOYSA-N 325.368 2.732 50 40 EFGB CC(=O)N/N=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 58883240 QRIBVSDQXLWTFD-GRSHGNNSSA-N 345.786 2.828 50 40 EFGB CCCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 4525180 ZCFXIPSPKDGCHW-LICLKQGHSA-N 344.327 2.690 50 40 EFGB COc1ccc(C(=O)N/N=C/c2ccc(OC(C)C)cc2O)c(O)c1 409390442 DBLHJJDCOGAVGI-VXLYETTFSA-N 344.367 2.658 50 40 EFGB N#CC1=C2CCCCN2c2cc(Br)ccc2S1(=O)=O 67172868 FXKYQONPOKQQHZ-UHFFFAOYSA-N 339.214 2.962 50 40 EFGB COc1ccc(/C=N\NC(=O)/C(C#N)=C/c2ccc(OC)cc2)cc1 31749747 UWYUJRQTXQASMK-ASUMIZAASA-N 335.363 2.761 50 40 EFGB BrC[C@@H]1CN[C@](Br)(N2CCCCC2)S1 19324082 KEGOIUYZGLTPNT-RKDXNWHRSA-N 344.116 2.578 50 40 EFGB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2/C(Cc1ccccc1)=N\NC(N)=O 4701271 PNTISAYRPWEGBH-VRJIKOLVSA-N 327.428 2.895 50 40 EFGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(F)cc1 8812060 QJZYGWDMZJMIAK-YBFXNURJSA-N 341.298 2.510 50 40 EFGB Cc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 59503406 MAKJPZXIYGFENI-KKJJZKEWSA-N 335.407 2.807 50 40 EFGB COc1cc(/C=N/NC(=O)CC(C)C)cc(Br)c1OC 28217824 DKRNHIFEQGPONJ-LZYBPNLTSA-N 343.221 2.963 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)c2ccc(OC)c(OC)c2)cc1 5288975 KQRNNZXQDQJOHP-XDHOZWIPSA-N 328.368 2.866 50 40 EFGB Cc1c(C(=O)NNS(=O)(=O)c2cccc(F)c2)oc2ccccc12 7380321 SWMRYIGOIXNVKJ-UHFFFAOYSA-N 348.355 2.504 50 40 EFGB N[C@H](Cc1ccc(O)cc1)C(=O)N/N=C\c1cccc2ccccc12 31769488 ADVXAPOTWUUMTF-UUMRFZBWSA-N 333.391 2.566 50 40 EFGB C/C(=N/NC(=O)CSc1nc2ccccc2[nH]1)c1ccncc1 56099 FXOYCSNHVKWTTR-JAIQZWGSSA-N 325.397 2.590 50 40 EFGB N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 904591 ZDKYMNFOPYBKJT-NTUHNPAUSA-N 330.303 2.812 50 40 EFGB COc1ccccc1C(=O)NNC(=O)c1ccccc1Br 290228 UDTSKPWWLQDQEQ-UHFFFAOYSA-N 349.184 2.533 50 40 EFGB O=C(Oc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 7928944 OMJLGKGZABOKSZ-NSHDSACASA-N 344.298 2.692 50 40 EFGB Cc1noc(C)c1[C@H](C)C(=O)N/N=c1/sc2ccccc2n1C 104102645 NTQSWHGVLAGMQE-HBPSBSHFSA-N 330.413 2.580 50 40 EFGB O=C(N/N=C/c1ccc(Br)cc1)C(=O)Nc1ccccc1 59386437 ZIJPKWMKDNHEEX-LICLKQGHSA-N 346.184 2.538 50 40 EFGB Cc1cc(C)n(CC(=O)N/N=C/c2cc(C)n(CC(C)C)c2C)n1 6686903 XCBOWRQFLZUPNB-DJKKODMXSA-N 329.448 2.725 50 40 EFGB N#CC1=C2CCCN2c2cc(Br)ccc2S1(=O)=O 67172855 KFPCUWOJDXQCNL-UHFFFAOYSA-N 325.187 2.572 50 40 EFGB O=C(COc1ccccc1Cl)NNC(=S)Nc1ccccc1 565870 AXWUCHBJGUZBJL-UHFFFAOYSA-N 335.816 2.737 50 40 EFGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccccc2C(=O)O)c1 3578253 PBDJPPHVVLOLBL-VXLYETTFSA-N 326.352 2.531 50 40 EFGB N#C/C(=C\Nc1ccc(-n2cnc(Cl)c2Cl)cc1)c1nnn[nH]1 5590586 WSPULSNAKNKSHR-SOFGYWHQSA-N 347.169 2.669 50 40 EFGB N#CCC(=O)NNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 67299805 PDHYIAXHWYXAGJ-UHFFFAOYSA-N 338.150 2.928 50 40 EFGB C=CCOc1ccc(/C=N/NC(=O)c2cccnc2)cc1OCC 408839697 CERLGVUMCBLLIG-UDWIEESQSA-N 325.368 2.809 50 40 EFGB COc1ccc(/C=C(\C#N)C(=O)NCc2cccs2)c(OC)c1 409205664 SANGIRDHDKEUAE-MDWZMJQESA-N 328.393 2.989 50 40 EFGB NNC(=O)c1ccc2[nH]c(-c3cccc(Br)c3)nc2c1 226235474 IXBBOLLRURUTNN-UHFFFAOYSA-N 331.173 2.596 50 40 EFGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2O)cc1 8085940 DSZQZUSAZCKNPA-VXLYETTFSA-N 345.786 2.697 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2cccc(Cl)c2)c(OC)c1 59720 HMRQPTPODMVIFN-VXLYETTFSA-N 348.786 2.886 50 40 EFGB C/C(CC(=O)NCc1ccc(Cl)cc1)=N\NC(=O)c1ccco1 101542262 NNBVHWPPIMBPRK-YBFXNURJSA-N 333.775 2.745 50 40 EFGB Cn1/c(=N\NC(=O)c2ccc3c(c2)COC3)sc2ccccc21 102102080 QQUYROGNOGHABZ-HTXNQAPBSA-N 325.393 2.516 50 40 EFGB O=C1C(SCCCl)=C(SCCCl)C(=O)c2[nH]cnc21 1668047 FJXXPBSXLGDGQI-UHFFFAOYSA-N 337.253 2.944 50 40 EFGB CCOc1ccccc1/C=N/NC(=O)c1cc([N+](=O)[O-])ccc1OC 6965203 MAJQFHMRVYADOW-WOJGMQOQSA-N 343.339 2.766 50 40 EFGB C#CCOc1ccccc1/C=N/NC(=O)Cc1ccc(OCC)cc1 10475913 CSFYESTXESOYKH-RCCKNPSSSA-N 336.391 2.790 50 40 EFGB N#CC(C(=O)CSc1nnc2ccccn12)=C1Nc2ccccc2N1 8342991 WERXSUYYWVBCLH-UHFFFAOYSA-N 348.391 2.663 50 40 EFGB COc1ccc(Br)cc1/C=C(\C#N)C(N)=C(C#N)C#N 97959751 GBHCYILXBFPION-ONNFQVAWSA-N 329.157 2.625 50 40 EFGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H]([C@H]3C=CCCC3)[C@H]2C1 36046357 BITFYVBSUMUQPK-WBAXXEDZSA-N 333.439 2.621 50 40 EFGB CCS(=O)(=O)[C@@H](Br)[C@@H](O)c1ccc(Cl)cc1 96519095 AKCSLCHEAFBGDQ-VHSXEESVSA-N 327.627 2.529 50 40 EFGB C=CCn1c(C)c(C(C)=O)s/c1=N\NC(=O)Nc1ccccc1 4614467 FWHRQXWBGVQKAW-MNDPQUGUSA-N 330.413 2.884 50 40 EFGB CCCCNS(=O)(=O)c1cccc(NC(=O)C2CC(Cl)C2)c1 585121821 BEHJNUYBNCZASP-UHFFFAOYSA-N 344.864 2.721 50 40 EFGB C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)Cc1ccccc1 14923291 PXCPLAMWHUFKDV-FYJGNVAPSA-N 327.359 2.889 50 40 EFGB O=C(COc1ccc2c(c1)CCC2)NNC(=O)c1ccc(Cl)cc1 2625849 LRKJTRVHYQPEQP-UHFFFAOYSA-N 344.798 2.669 50 40 EFGB Cc1ccc(CC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 17158613 SBEVBVOKIVLKCA-UHFFFAOYSA-N 326.440 2.901 50 40 EFGB Cc1cccc(C(=O)NNC(=O)Cc2ccccc2)c1-n1cccc1 32933158 IPJWLGPVXFLWFD-UHFFFAOYSA-N 333.391 2.789 50 40 EFGB CN(C(=O)CCl)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 79392658 RKVBHPCFXVMRBC-LSDHHAIUSA-N 338.835 2.921 50 40 EFGB O=C(NNC(=O)c1cccs1)N[C@@H]1CCSc2ccccc21 40498082 WOEDQKFZRNMJSV-LLVKDONJSA-N 333.438 2.929 50 40 EFGB CCc1ccc(OCC(=O)NNC(=O)/C=C/c2ccc(F)cc2)cc1 6124176 QRVTZXUWAPECCT-KPKJPENVSA-N 342.370 2.628 50 40 EFGB N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)Nn1cnnc1 13381971 IYWHRLANQGHJHX-YRNVUSSQSA-N 339.742 2.869 50 40 EFGB CC(C)(C)OC(=O)N/N=C(\N)COc1cccc(C(F)(F)F)c1 43769297 RAPRHJTZXFDRGF-UHFFFAOYSA-N 333.310 2.881 50 40 EFGB Cc1nc(C)c(-c2nnc(-c3ccccc3Cl)o2)cc1C(=O)NN 6084862 WADLOXDYGWOGKN-UHFFFAOYSA-N 343.774 2.672 50 40 EFGB CCOc1ccc(-c2cc(C(=O)NN)nn2-c2cccc(C)c2)cc1 59472531 BUJWAVSNATYDAH-UHFFFAOYSA-N 336.395 2.850 50 40 EFGB CCCn1c(C)c(C(=O)NNC(=O)OCC)c2cc(OC)ccc21 24456003 WCPQJSUIFCJAQF-UHFFFAOYSA-N 333.388 2.759 50 40 EFGB CCOC(=O)/C(=C(/C)Nc1ccc(Cl)cc1)[C@@H]1CC(=O)OC1=O 100010501 SYASXUXWOKXKDP-CJAAZZPWSA-N 337.759 2.679 50 40 EFGB CCOC(=O)[C@H](C)/C(C)=N\NC(=O)c1cc2ccccc2cc1O 13139859 XAGSVVIPZGGXFY-AUXXSDOJSA-N 328.368 2.850 50 40 EFGB CCCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2F)CC(=O)N1 9014006 ATYPCJBLKCMMQL-LBPRGKRZSA-N 348.399 2.851 50 40 EFGB Cc1cc(/C=N/NC(=O)c2ccc(O)cc2)c(C)n1-c1ccccn1 409249342 TXFYFJYJAYKPEP-CIAFOILYSA-N 334.379 2.959 50 40 EFGB COc1ccccc1/C=N\NC(=O)c1cc(Br)ccc1O 33284820 LTEQMEPNMMETOE-MFOYZWKCSA-N 349.184 2.927 50 40 EFGB Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)o1 2754664 KIJYYHYLBJYOLI-REZTVBANSA-N 340.166 2.984 50 40 EFGB Cc1ccc(S(=O)(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 3895084 JXZDVUGUPKIVTQ-UHFFFAOYSA-N 348.468 2.521 50 40 EFGB Cc1ccc2c(c1)/C(=N\NC(=O)c1ccc(Cl)cc1)C(=O)N2C 12462555 JXYKTCCCMGPAKS-XDJHFCHBSA-N 327.771 2.759 50 40 EFGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl 104407883 CAUUJFCPQYNYEX-WAYWQWQTSA-N 348.573 2.524 50 40 EFGB COc1ccc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)c2ccccc12 44026497 LWFHHDRFXGNMQO-JLHYYAGUSA-N 346.394 2.746 50 40 EFGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(N)=O)c1C 409227488 ZFMVUPIMHYROJL-MHWRWJLKSA-N 349.390 2.713 50 40 EFGB Cc1cc(NC(=O)/N=C(\C(Cl)Cl)N2CCSCC2)no1 159639 JFZOYIBSPDSAJF-XNTDXEJSSA-N 337.232 2.766 50 40 EFGB Cc1ccc(OCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1C 59179 QFFBSUINLNRVOG-DJKKODMXSA-N 326.352 2.561 50 40 EFGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)CCn1nnc2ccccc21 181638 GVXQNMAGBHHOHK-UDWIEESQSA-N 346.394 2.761 50 40 EFGB CC(=O)n1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c2ccccc21 1502236 VSULKLWPAWMBDV-AWQFTUOYSA-N 349.346 2.794 50 40 EFGB CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)o1 408993775 FPLUHSDWQBTDJY-AMRJIULGSA-N 329.400 2.964 50 40 EFGB CC(/C=C/c1ccccc1)=N/NC(=O)c1nc2nc(C)cc(C)n2n1 13113807 JPKHRLMFFDMVNL-RTLHQRDBSA-N 334.383 2.560 50 40 EFGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cccc(OCC(=O)O)c1 408816313 YGMDMKHQZRRHAT-RDZUSDMXSA-N 342.395 2.752 50 40 EFGB CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)ccc1O 409388027 STYSIZMJPRURTH-DHDCSXOGSA-N 325.368 2.887 50 40 EFGB O=C(O)c1ccc(-n2cccc2/C=N\NC(=O)c2ccccc2O)cc1 30956262 NTLNMPSGWKWXAN-NDENLUEZSA-N 349.346 2.645 50 40 EFGB CCOc1ccc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 17071643 CMTVSXQBANRDFR-UHFFFAOYSA-N 343.339 2.766 50 40 EFGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1 4984750 LJYMEXQZQMMCPG-XYOKQWHBSA-N 339.307 2.855 50 40 EFGB CCOC(=O)/C(C#N)=C/c1ccc(Sc2nc(C)cc(O)n2)o1 409106428 NKTPFJKXFSTDQC-JXMROGBWSA-N 331.353 2.705 50 40 EFGB OC[C@@H]1CO[C@](CBr)(c2ccc(Cl)cc2Cl)O1 39624812 KWVAKSFLLNZGBK-KCJUWKMLSA-N 342.016 2.949 50 40 EFGB in-vitro CCS(=O)(=O)[C@@H](Br)[C@H](O)c1ccc(Cl)cc1 96519093 AKCSLCHEAFBGDQ-NXEZZACHSA-N 327.627 2.529 50 40 EFGB C=CCOc1ccccc1C(=O)NNC(=O)c1cn(C)c2ccccc12 30600354 AIQSBFCAJSXIJK-UHFFFAOYSA-N 349.390 2.818 50 40 EFGB CCN(CC)c1ccc(/C=N/NC(=O)Cc2ccccc2)c(O)c1 524521 FQVGEMAQSAUBJK-XSFVSMFZSA-N 325.412 2.931 50 40 EFGB Cc1cc(/C=N/NC(=O)CO)c(C)n1-c1cccc(Cl)c1Cl 4091545 SLKDUQFUDYEIEI-CNHKJKLMSA-N 340.210 2.843 50 40 EFGB O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1cc2cc([N+](=O)[O-])ccc2o1 408904129 FEPYTRKTWNBLQO-CHHVJCJISA-N 344.239 2.606 50 40 EFGB C/C(=N\NC(=O)c1ccoc1C)[C@@H](c1ccccc1)N1CCOCC1 61101335 WMGQLGMOOKSEOT-OFBHVFLISA-N 341.411 2.767 50 40 EFGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OC)c1OC 7064010 HRTUXOBQIBIMBH-JYRVWZFOSA-N 330.384 2.678 50 40 EFGB Cc1ccc(NCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1C 5337664 YABDKQDCBGDPEU-VXLYETTFSA-N 326.356 2.774 50 40 EFGB CC(C)CC(=O)N[C@@]1(C(Cl)Cl)N=C(c2ccccc2)NC1=N 101359293 XXSCPDHGEBFFGN-HNNXBMFYSA-N 341.242 2.676 50 40 EFGB C[C@@H](CC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)c1ccccc1 6208697 GWXJOLPALSEKQU-UONOGXRCSA-N 344.386 2.934 50 40 EFGB CCN1C(=O)/C(=N\NC(=O)c2c[nH]c3ccccc23)c2ccccc21 103506047 YSPNGWWBALACAD-FXBPSFAMSA-N 332.363 2.669 50 40 EFGB COc1cc(SC)ccc1C(=O)NNC(=O)c1ccccc1F 3361545 GWASZPIPDCHANU-UHFFFAOYSA-N 334.372 2.631 50 40 EFGB CC(=O)c1c(NNC(=O)CSc2ccc(C)cc2)oc(C)cc1=O 4619303 WFKCQBXMCARRQH-UHFFFAOYSA-N 346.408 2.695 50 40 EFGB Cc1ccsc1C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C 18102808 QQYXQYWQLYSMPS-CYBMUJFWSA-N 332.425 2.902 50 40 EFGB C=CCOc1cccc(/C=N/NC(=O)C(=O)NC2CCCCCC2)c1 409007696 YZNBSQKPBXQLBU-XSFVSMFZSA-N 343.427 2.541 50 40 EFGB CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(N2CCCC2)o1 408851737 NIFFXOAEAPGZMB-YFHOEESVSA-N 338.205 2.637 50 40 EFGB CSc1nc(NC2CCCCC2)c2cc(C(=O)NN)sc2n1 223464252 PLPDAMGECZXQGV-UHFFFAOYSA-N 337.474 2.761 50 40 EFGB CN(C)C[P@](=O)(O)CCP(c1ccccc1)c1ccccc1 97951498 BEXSDMDGBYAXRP-UHFFFAOYSA-N 335.324 2.909 50 40 EFGB O=C(C[C@H]1Sc2ccccc2NC1=O)NNc1ccc(F)cc1 4748262 HWUGMQFMAKVBQO-CQSZACIVSA-N 331.372 2.772 50 40 EFGB Cc1cc(/C=N/NC(=O)c2ccccc2O)c(C)n1-c1ccncc1 100388644 XZAMJQLLTXYXSP-CIAFOILYSA-N 334.379 2.959 50 40 EFGB C/C(=N/NC(=O)COc1ccc(Cl)cc1)c1cc(O)ccc1O 100393680 CEUFFZOXRRBCRY-ZDLGFXPLSA-N 334.759 2.670 50 40 EFGB O=C(NNC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccccn1 4600290 KXUJTFWOBKNJJY-UHFFFAOYSA-N 325.299 2.556 50 40 EFGB O=C(Cn1nnc2ccccc21)NN=Cc1cccc(Cl)c1Cl 15658733 KAIKUBVSCGQRLG-UHFFFAOYSA-N 348.193 2.888 50 40 EFGB Cc1ccc(C(=O)NNS(=O)(=O)c2cccc3ccccc23)cc1 35685895 QNBDRKWBIIKYAB-UHFFFAOYSA-N 340.404 2.772 50 40 EFGB Cc1cc(Br)c(O)c(/C=N/NC(=O)c2ccncc2)c1 569109 JFHUUAXINYIFBR-CAOOACKPSA-N 334.173 2.622 50 40 EFGB CC(=O)NNc1nc(C)c(C(=O)/C=C/c2ccc(N(C)C)cc2)s1 5552233 LZELGBDDRIRJMW-JXMROGBWSA-N 344.440 2.877 50 40 EFGB COc1cccc([C@@H]2C(C#N)=C(N)Nc3nc4ccccc4n32)c1OC 18199696 YDMLTQPIDMOFDS-MRXNPFEDSA-N 347.378 2.762 50 40 EFGB CCOc1ccccc1OCC(=O)NNC(=O)CCC1CCCC1 12774083 NKHJHJUSCVRSDT-UHFFFAOYSA-N 334.416 2.582 50 40 EFGB O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1 6331643 FILMSNYIODMQKW-UHFFFAOYSA-N 334.719 2.715 50 40 EFGB C=CCOc1ccc(/C=C(\C#N)C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 5881028 MFARPPAEPOCFMT-SBSYXSKNSA-N 326.396 2.794 50 40 EFGB COc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1C(=O)O 5918032 OMUORQTWAKUBSD-DHDCSXOGSA-N 336.347 2.617 50 40 EFGB Cc1ccc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)cc1 408973985 SRBVVXIQIPQUAE-IFRROFPPSA-N 325.397 2.654 50 40 EFGB O=C(CN1CCCCCC1=O)NN=C(c1ccccc1)c1ccccc1 65476618 SMNOLBLAYGCSRC-UHFFFAOYSA-N 349.434 2.958 50 40 EFGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 100182289 HHSZRCQDGVWDNM-JTWBJLALSA-N 345.355 2.600 50 40 EFGB COc1ccccc1NCC(=O)N/N=C/c1ccc(SC)cc1 584059 YZYKFLJXBWOWHO-YBFXNURJSA-N 329.425 2.979 50 40 EFGB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NNC(=O)c1cccs1 103916732 VNCRCEZWQXKIIM-PTNGSMBKSA-N 340.408 2.679 50 40 EFGB COc1ccc(C(=O)N/N=C/c2cc(O)ccc2Br)cc1 5744450 HEQXJYOUCMEDOF-RQZCQDPDSA-N 349.184 2.927 50 40 EFGB COc1cc(/C=C(\C#N)C(N)=S)ccc1OCc1ccncc1 408543323 NZCYHOMTITWJLT-RIYZIHGNSA-N 325.393 2.862 50 40 EFGB COc1cc(OC)c(/C=N/NC(=O)COc2ccccc2)cc1Cl 408526914 DMCZWEVFOLTMIZ-VXLYETTFSA-N 348.786 2.886 50 40 EFGB C/C(=N\NC(=O)COc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 220583 GISXFWYPNIBTLF-QGOAFFKASA-N 327.340 2.822 50 40 EFGB O=C(CSc1ncccn1)N/N=C/c1c(O)ccc2ccccc12 204865 LLCMIARJNOGUOH-KEBDBYFISA-N 338.392 2.578 50 40 EFGB Cc1ccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)s1 63181796 SKXMUUCBQAPSCV-UHFFFAOYSA-N 346.433 2.833 50 40 EFGB COc1cc([N+](=O)[O-])ccc1NC(C#N)=C1C(=O)c2ccccc2C1=O 4342375 CWQFQPKYAHCIJX-UHFFFAOYSA-N 349.302 2.872 50 40 EFGB O=C(N/N=C/C=C/c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 4702461 QDAVWXWMTBUHTM-HZSRDGRYSA-N 339.307 2.753 50 40 EFGB CCOc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1O 493390 JEQMADHJRHIRGD-YBFXNURJSA-N 341.367 2.513 50 40 EFGB CCOC(=O)/C(C#N)=C1/SS/C(=C(\C#N)C(=O)OCC)S1 5574122 BJEFMLAPLDTDNB-MKICQXMISA-N 342.423 2.711 50 40 EFGB CCCC(=O)NNC(=O)c1ccccc1OCCOc1ccccc1 8569547 LGHBXFUVCOORFD-UHFFFAOYSA-N 342.395 2.706 50 40 EFGB O=C(NNC(=O)c1cccs1)c1ccc(Br)cc1 242954 LLPVXJHSPYPMPL-UHFFFAOYSA-N 325.187 2.585 50 40 EFGB O=C1O[C@H]2[C@@H]3[C@@H]([C@H]2I)[C@H](C2CCCCC2)[C@@H]13 104066023 BFBGTVKDEVGNES-UFFGRJIKSA-N 332.181 2.788 50 40 EFGB COc1cc(Br)c(O)c(/C=N/NC(=O)c2ccccc2)c1 408586369 BNRCLRWCRBRJQO-RQZCQDPDSA-N 349.184 2.927 50 40 EFGB COc1ccc(Cl)cc1C(=O)NNC(=O)/C=C/c1ccccc1 3547473 FPGAQMAGIPTHJS-JXMROGBWSA-N 330.771 2.823 50 40 EFGB Cn1cccc1C(=O)NN[C@@H](C(=O)Nc1ccccc1)c1ccccc1 32853680 SFRBCOFLHBPFBP-GOSISDBHSA-N 348.406 2.640 50 40 EFGB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)C(C#N)=C(N)O2 43685 RRUXMTZKNWIJSQ-QGZVFWFLSA-N 329.363 2.794 50 40 EFGB CN1C(=O)/C(=N/NC(=O)c2ccccc2-n2cccc2)c2ccccc21 12362660 QNPOOYCDEYIHIN-DYTRJAOYSA-N 344.374 2.588 50 40 EFGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(F)cc1 59515536 IREWEUJQUJRXNY-DJKKODMXSA-N 333.750 2.876 50 40 EFGB COc1ccccc1OCCCOc1ccc(/C=N/NC(N)=O)cc1 9553636 CUOJMWWDWOCFBE-DEDYPNTBSA-N 343.383 2.545 50 40 EFGB O=C(CCc1ccccc1)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 253570723 OACKBTLZHNWJRV-GZTJUZNOSA-N 342.311 2.586 50 40 EFGB Cc1ccc(OCC(=O)N/N=C/c2ccco2)c(Br)c1 2166121 PNBGMSPHILLRAQ-LZYBPNLTSA-N 337.173 2.880 50 40 EFGB CC(C)(C)C(=O)N[C@@]1(C(Cl)Cl)N=C(c2ccccc2)NC1=N 101359221 KOJJBHWESPTEBW-OAHLLOKOSA-N 341.242 2.676 50 40 EFGB NC(=O)N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1 2663790 ZIMUJUSYQGZTEM-CXUHLZMHSA-N 335.458 2.864 50 40 EFGB O=[P@@](c1ccccc1)(c1nc2ccccc2s1)N1CCOCC1 3185874 TUTWZUUKVRUGBB-QFIPXVFZSA-N 344.376 2.857 50 40 EFGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccccc1F 494864 FBIDUOYJGWZFEB-HNNXBMFYSA-N 333.322 2.885 50 40 EFGB CCCCNC(=O)CSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1 6323090 YYHXCEIDFULZDY-AWEZNQCLSA-N 343.452 2.675 50 40 EFGB CCOC(=O)[C@@H](/C(C)=N\NC(=O)c1ccc([N+](=O)[O-])cc1)C(C)C 4576045 ALBUMGNZFOLGFX-RQNDZEIBSA-N 335.360 2.536 50 40 EFGB NNC(=O)c1ccc(Cc2ccco2)n1Cc1ccc(Cl)cc1 226031875 ZLRSPPOSEUUHKU-UHFFFAOYSA-N 329.787 2.977 50 40 EFGB O=C(COc1cccc2ccccc12)N/N=C1\C(=O)Nc2ccccc21 2673507 VEPAYXBCNUPDSM-UHFFFAOYSA-N 345.358 2.691 50 40 EFGB O=C(CCCOc1ccccc1)NNC(=O)c1ccc(Cl)cc1 2626955 OPHUNVLDHWXRHS-UHFFFAOYSA-N 332.787 2.960 50 40 EFGB O=C(N/N=C/c1c(F)cccc1Cl)[C@@H]1COc2ccccc2O1 3475467 AAGYDLGDRQYWMF-UZSVJVCZSA-N 334.734 2.769 50 40 EFGB COc1cccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c1 408772638 GKMZBZXXPVQAOO-JXAWBTAJSA-N 347.418 2.951 50 40 EFGB COc1ccc(/C=N/NC(=O)CNc2cccc(C)c2)c(OC)c1 4746704 KAQXZLVSRWONCH-RGVLZGJSSA-N 327.384 2.574 50 40 EFGB COc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1[N+](=O)[O-] 6182323 QORLLXVJTXYKDF-DHDCSXOGSA-N 337.335 2.827 50 40 EFGB Cc1ccc(C(=O)N/N=C\c2ccc(OC(=O)c3ccco3)cc2)cn1 30803057 ITNYPCLRVJXYNH-NHDPSOOVSA-N 349.346 2.966 50 40 EFGB COc1ccc(N/C(N)=C(C#N)\C=C2\Nc3ccccc3C2=O)cc1 100921421 CMVGMJNOEPJWPI-SCQXFAKPSA-N 332.363 2.993 50 40 EFGB COc1ccc(/C=N/NC(=O)[C@H](C)Nc2ccc(OC)cc2)cc1 2748065 MHHLIRLWVLMAQW-HCZVKUGISA-N 327.384 2.655 50 40 EFGB Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N(C)C)cc1 409000584 YYQIDSORBJUUEE-WOJGMQOQSA-N 326.356 2.733 50 40 EFGB O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1ccc(Cl)cc1 409020890 VFCGGTQGHSENFP-WOJGMQOQSA-N 333.775 2.534 50 40 EFGB COc1cccc(CC(=O)N/N=C\c2ccc(Br)o2)c1 409002148 YIRVVMNUGUIRSD-SXGWCWSVSA-N 337.173 2.744 50 40 EFGB COc1ccc(Cl)cc1/C=N/NC(=O)c1ccc2c(c1)OCCO2 33033 HKBQQOHYQXCFKB-VXLYETTFSA-N 346.770 2.884 50 40 EFGB COC(=O)c1ccc(N/C=C(/C#N)C(=O)NC2CCCCC2)cc1 102673277 LMYKDRNZFFUIAW-OWBHPGMISA-N 327.384 2.741 50 40 EFGB ClCCOC(OCCCl)C(OCCCl)OCCCl 104328792 NHMJDDOZAFXBDT-UHFFFAOYSA-N 344.062 2.660 50 40 EFGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc(F)c(F)cc1Cl 59461470 LTOKBIARLOHZDU-FZSIALSZSA-N 329.646 2.883 50 40 EFGB O=C(NNC(=O)C1c2ccccc2Oc2ccccc21)c1ccco1 13006207 GEZPVXRMOXDHKT-UHFFFAOYSA-N 334.331 2.978 50 40 EFGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2cccc(Cl)c2)c1C 6901541 QFAUPEUTTORPSW-UHFFFAOYSA-N 333.775 2.562 50 40 EFGB CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 408790465 WLNFNWYMBLZJHX-DHZHZOJOSA-N 326.312 2.799 50 40 EFGB N#Cc1ccc(/C=N\NC(=O)COc2cccc3cccnc23)cc1 409021559 NLIAQEYHBZNEHW-UUYOSTAYSA-N 330.347 2.636 50 40 EFGB Cc1ccc(-c2ccc(C3=NO[C@@H]4C(=O)OC(=O)[C@@H]34)o2)cc1Cl 257173702 VHLUTZHAJGIRPP-JSGCOSHPSA-N 331.711 2.711 50 40 EFGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(O)cc1O 12362504 PLEFCSOTBYZJEQ-CAOOACKPSA-N 349.730 2.813 50 40 EFGB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccnc2)C(C#N)=C(N)O1 33056 UUGLDDDLQIXDDH-SFHVURJKSA-N 347.374 2.907 50 40 EFGB CC[C@@H](Br)C(=O)NCCC(=O)Nc1cccc(C)c1 8733106 OOGSVFMJSPFHOF-GFCCVEGCSA-N 327.222 2.613 50 40 EFGB COc1cc2c3c(c1)C(CBr)=CC(C)(C)N3C(=O)C2=O 2151692 OEMRUFJSUWTGEK-UHFFFAOYSA-N 336.185 2.795 50 40 EFGB biogenic Cc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)o1 13007668 GRNUTOMTCOANKF-ZDUSSCGKSA-N 338.363 2.970 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)Cc2ccc3c(c2)OCCO3)cc1 409365752 RVJHLMGPWPUWFC-DEDYPNTBSA-N 340.379 2.549 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)c2ccccc2OC)cc1OC 5382076 FXQONFCGPBJWDB-XDHOZWIPSA-N 328.368 2.866 50 40 EFGB O=C(CSCc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 5603533 DDTPMZIHSZBIRM-LICLKQGHSA-N 329.381 2.978 50 40 EFGB NNC(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 226334713 VNHWDRZYNSOKLJ-XBXARRHUSA-N 347.758 2.830 50 40 EFGB C/C(CC(=O)NCc1ccc(F)cc1)=N\NC(=O)c1ccc(F)cc1 104813414 OWOUOAURUHPFFI-WSDLNYQXSA-N 345.349 2.777 50 40 EFGB C=CCSC1=C(C#N)[C@@H](c2ccccc2OC)[C@H](C#N)C(=O)N1 2299536 CVNYNEIMYOSITI-WFASDCNBSA-N 325.393 2.703 50 40 EFGB Cc1ccc(S(=O)(=O)N=S(CCCl)CCCl)cc1 4429358 MQQWODPDLFEPPK-UHFFFAOYSA-N 328.286 2.963 50 40 EFGB O=C(N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1cccnc1 550913 BRZUTPHYHQFQIW-XDHOZWIPSA-N 335.323 2.544 50 40 EFGB COc1ccc(CNC(=O)C(=O)NN=C2CCCCCCC2)cc1 59515688 XCADSDOHDVYGMJ-UHFFFAOYSA-N 331.416 2.528 50 40 EFGB CCOc1cc(/C=N/NC(=O)/C=C/c2ccc(OC)cc2)ccc1O 1098681 YJVKMSBYNVERHA-OYZPYISSSA-N 340.379 2.963 50 40 EFGB O=C(/C=C/c1cccc(F)c1)NNC(=O)COc1ccccc1Cl 3413833 JTMCCDWEHZPJNA-CMDGGOBGSA-N 348.761 2.719 50 40 EFGB C/C(=N\NC(=O)c1ccncc1)c1cc2cc(Cl)ccc2oc1=O 13512736 JEOYDXFADDHNDV-KEBDBYFISA-N 341.754 2.995 50 40 EFGB NNC(=O)CCc1ccc(-c2ccc(F)cc2Br)o1 216924913 NDUPIIDPZQUFQQ-UHFFFAOYSA-N 327.153 2.771 50 40 EFGB CCOc1ccc(/C=N/NC(=O)c2cccc(OC)c2)cc1OC 5953728 RPIOTUSKVLDZPS-XDHOZWIPSA-N 328.368 2.866 50 40 EFGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(F)cc2)cc1 586808 WHWPPCPTWRPGSZ-UHFFFAOYSA-N 344.386 2.963 50 40 EFGB CCOc1ccc(C(=O)N/N=C\c2ccc(OC)cc2)cc1OC 409314696 GXUYKMGYUMKANP-UNOMPAQXSA-N 328.368 2.866 50 40 EFGB CCOc1ccc(/C=N\NC(=O)CCn2cnc3ccccc32)cc1 30750507 QVBYTRZAZRGQMA-BKUYFWCQSA-N 336.395 2.975 50 40 EFGB CCCCCC(=O)NNC(=O)c1sc2nc(C)cc(C)c2c1N 12734654 GTNQZLBAASGTFU-UHFFFAOYSA-N 334.445 2.837 50 40 EFGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccccn1 126251 AABXNXOSFBWOOL-RQZCQDPDSA-N 334.173 2.617 50 40 EFGB CCOc1ccc(C(=O)NNC(=O)c2ccc(-n3cccc3)cc2)cc1 17269234 ARESJUKQBXLOMC-UHFFFAOYSA-N 349.390 2.951 50 40 EFGB CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)CSc1nnc(N)s1)C2 28845491 KPQWGQUYYCITLX-SLXTXFMPSA-N 339.490 2.531 50 40 EFGB CC(C)(C)OC(=O)NNC(=O)c1nn(-c2ccccc2)c2c1CCC2 9954912 RQSVHJNTLXUDKE-UHFFFAOYSA-N 342.399 2.531 50 40 EFGB CCOC(=O)C1=C(C)OC(O)=C(C#N)[C@@H]1c1ccc2c(c1)OCO2 408729769 CRQMEOZLBPJKKC-HNNXBMFYSA-N 329.308 2.659 50 40 EFGB N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1F 36142694 KPXJEURKGYYACA-YRNVUSSQSA-N 327.271 2.985 50 40 EFGB CC(C)N(C(=O)CCl)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 79392699 RPCLHRABNSPQJY-OAHLLOKOSA-N 338.835 2.873 50 40 EFGB Cc1cc(N)nc(SCC(=O)N/N=C2/C[C@H]3CC[C@@]2(C)C3(C)C)n1 227052640 NCOYQSQSYQUDGB-JJVLFQTKSA-N 347.488 2.778 50 40 EFGB COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OC(C)C 247368 VPOZAAPJGZXFCE-LRQZKABGSA-N 344.411 2.685 50 40 EFGB N#C/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1ccccc1C#N 3227912 GDDOPFPHONUIFF-YBEGLDIGSA-N 331.331 2.647 50 40 EFGB CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1 2332368 JBLCATSGDYQKLJ-HNNXBMFYSA-N 339.420 2.634 50 40 EFGB COc1cccc(-c2cc(C(=O)N/N=C/c3ccccc3O)[nH]n2)c1 4928127 VJUSTECUODBCGF-YBFXNURJSA-N 336.351 2.555 50 40 EFGB N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCCN(CC(F)F)CC1 95452698 IMBKBXYEZPMVNT-UUASQNMZSA-N 336.342 2.732 50 40 EFGB Cc1cccc(C)c1NCC(=O)NNC(=S)Nc1ccccc1 13998504 YWRDYSGNIOJYPJ-UHFFFAOYSA-N 328.441 2.733 50 40 EFGB CC(=O)Oc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccn2)cc1 188527 LEOICZUYEDJLQZ-MKFNJMOCSA-N 343.408 2.638 50 40 EFGB OC[C@H]1CO[C@@](CBr)(c2ccc(Cl)cc2Cl)O1 44710199 KWVAKSFLLNZGBK-GZMMTYOYSA-N 342.016 2.949 50 40 EFGB in-vitro CC(=O)Oc1ccc(N(CCCl)CCCl)cc1OC(C)=O 1717497 PADACNHEAHBUKM-UHFFFAOYSA-N 334.199 2.821 50 40 EFGB Cc1nc(N)sc1C(=O)N/N=C/c1ccccc1C(F)(F)F 137290 JEJKBXQREZGEFF-NGYBGAFCSA-N 328.319 2.816 50 40 EFGB O=C(N/N=C/c1ccccc1OC(F)F)[C@@H]1COc2ccccc2O1 3275133 CTHZSADMNRUIDJ-FULVDIRDSA-N 348.305 2.578 50 40 EFGB CCCC[C@@H](CCC(=O)NNC(=O)c1ccccc1Cl)C(=O)O 2284544 UHORPBCVHAONEZ-NSHDSACASA-N 340.807 2.772 50 40 EFGB CCOc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 30734245 WNNCSADSZDIDGL-WQRHYEAKSA-N 343.339 2.766 50 40 EFGB COc1ccccc1C(=O)N/N=C(\C)c1ccc(OC)c([N+](=O)[O-])c1 5829645 AKIMNCBWWQFVOB-WOJGMQOQSA-N 343.339 2.766 50 40 EFGB COc1cc(/C=N/NC(=O)C2[C@H]3CCCC[C@H]23)cc(OC)c1OC 100050686 YTBVKQCZRNEDCW-HJMAPNKLSA-N 332.400 2.599 50 40 EFGB F[C@@H]1C[C@H]2[C@H](Br)[C@@H]1NC2(C(F)(F)F)C(F)(F)F 36034447 QETLGKWBLPLOEM-SKNVOMKLSA-N 330.041 2.943 50 40 EFGB CCOC(=O)N1CCC[C@@H](C(=O)NNc2cccc(Cl)c2)C1 30807426 NVCBATYSNRZAOL-LLVKDONJSA-N 325.796 2.652 50 40 EFGB CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2)cc1 328347 XITQVWICHRWHCW-UHFFFAOYSA-N 339.395 2.746 50 40 EFGB O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 58886396 OKZPFAMNYSWYKN-YAJBTMAUSA-N 327.340 2.559 50 40 EFGB Cc1cc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)[nH]n1 6720071 YQLMBRBSIHQIKR-GIJQJNRQSA-N 342.790 2.630 50 40 EFGB COc1cc(Cl)c(/C=N/NC(=O)c2ccc(C)nc2)cc1OC 58693 NCHYNJOTYYMKSZ-DJKKODMXSA-N 333.775 2.825 50 40 EFGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccco1 282014 ILNWTZGNBSKDPX-MRVPVSSYSA-N 343.166 2.815 50 40 EFGB O=C(NNC(=O)C1c2ccccc2Oc2ccccc21)c1ccccn1 17328923 LYMBEUMFYRWXOV-UHFFFAOYSA-N 345.358 2.780 50 40 EFGB CN1CCN(c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)CC1 13546786 UNLBDXAOSVWACL-WYMLVPIESA-N 333.395 2.972 50 40 EFGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cnn(C)c1C 2755032 HKDFMSDPNQHXKM-IZZDOVSWSA-N 330.775 2.936 50 40 EFGB O=C1O[C@H]2[C@H]3[C@H]1[C@H](C1CCCCC1)[C@H]3[C@H]2I 4933486 BFBGTVKDEVGNES-ZKSVUJDCSA-N 332.181 2.788 50 40 EFGB C/C(CC(=O)NCc1ccc(F)cc1)=N\NC(=O)c1cccc(F)c1 104813411 DTHOWBGGTIIWLR-WSDLNYQXSA-N 345.349 2.777 50 40 EFGB CO[C@H](C(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1)c1ccccc1 20248137 NOMNESUEDHWDCR-IQFISFIMSA-N 327.340 2.823 50 40 EFGB Cc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)o1 2435225 UMNCQNCQYYXPCQ-REZTVBANSA-N 340.166 2.984 50 40 EFGB N#CCCCSC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)CC(=O)N1 9015001 BDJUISHDLMCKIZ-GFCCVEGCSA-N 341.392 2.791 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 4702452 SRJDYKXYEWHSGK-WOJGMQOQSA-N 343.339 2.766 50 40 EFGB O=C(Cc1coc2ccc3ccccc3c12)NNC(=O)c1ccccn1 7608767 BEVAZHUFLPZOMX-UHFFFAOYSA-N 345.358 2.985 50 40 EFGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)c1cccc(F)c1 408742412 WKSVHEVLBIMFST-YODDIOPGSA-N 338.342 2.580 50 40 EFGB COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(N)=O)o2)cc1Cl 408998936 JMVVEHTUEYXHCI-UXBLZVDNSA-N 330.727 2.779 50 40 EFGB CC(C)[C@@H](NC(=O)Cc1cccs1)C(=O)N/N=C\c1ccccc1 33559443 BOCODLODJVBYOK-UEXNTNOUSA-N 343.452 2.582 50 40 EFGB CCc1cc(C(=O)N/N=C/c2ccn(CC(F)(F)F)n2)cs1 252490147 KKFVRDYREVGPNQ-UBKPWBPPSA-N 330.335 2.833 50 40 EFGB CCN1C(=O)/C(=N\NC(=O)c2cccc(Cl)c2)c2ccccc21 12869979 GHZOWHXHTFUQAL-CYVLTUHYSA-N 327.771 2.841 50 40 EFGB ClCCN(CCCl)/N=C\C=N/N(CCCl)CCCl 104391791 JHTSLXQJZAERLU-KNBRTIFXSA-N 336.094 2.517 50 40 EFGB COc1cc(Cl)c(/C=N/NC(=O)c2ccccc2O)cc1OC 66202195 ULWQWAOBYFLTSO-GIJQJNRQSA-N 334.759 2.827 50 40 EFGB COc1ccc(/C=N/NC(=O)CO/N=C(\C)c2cccs2)cc1 5494752 FILBHWBTFTVKNN-SCQXFAKPSA-N 331.397 2.648 50 40 EFGB O=C(NNC(=O)[C@H]1CC=CCC1)c1ccc(COc2ccccc2)o1 15809855 NETZMGBYGICFJF-AWEZNQCLSA-N 340.379 2.976 50 40 EFGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)NCCCOC 408806549 BFXDMOSEQOZVCJ-SAPNQHFASA-N 348.402 2.911 50 40 EFGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](CCc3ccccc3)[C@@H]2C1 36289156 WZGYXEQKTWLZDZ-MOPGFXCFSA-N 343.434 2.507 50 40 EFGB CN1[C@H]2CC[C@@H]1C=C1C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccs3)[C@@H]12 36383897 VCWFGDAOTFYHFQ-UMPQAUOISA-N 347.447 2.634 50 40 EFGB CSc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 13921322 UBVXIHGJRNZJKQ-VCHYOVAHSA-N 331.372 2.636 50 40 EFGB COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1O 7385692 PCOPFJJRNAUOPL-DEDYPNTBSA-N 339.395 2.765 50 40 EFGB CCc1ccc(NC(=O)CCNC(=O)[C@@H](Br)CC)cc1 8733148 UHMPQFFSLXJXQC-ZDUSSCGKSA-N 341.249 2.867 50 40 EFGB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)NNC(=O)c1cccs1 45114615 VCGGBJJYBPLUSQ-SNVBAGLBSA-N 348.384 2.704 50 40 EFGB COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CC(C)(C)C)cc1 1792013 FFRAYGKJIVYFBJ-RVDMUPIBSA-N 344.411 2.698 50 40 EFGB CCOc1ccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)cc1OC 6964078 HDCYRALOXVYCJQ-REIAIGDLSA-N 337.379 2.851 50 40 EFGB COc1ccc(/C=C(\C#N)C(=O)NCc2cccs2)cc1[N+](=O)[O-] 59534291 QUOSHHHYWPBGDB-KPKJPENVSA-N 343.364 2.888 50 40 EFGB C=CCSC1=C(C#N)[C@@H](c2ccccc2OC)[C@@H](C#N)C(=O)N1 2299534 CVNYNEIMYOSITI-DOMZBBRYSA-N 325.393 2.703 50 40 EFGB CCCOc1ccc(C(=O)NNc2nc(C)cc(C)n2)cc1OC 12848873 JVVJYKRMLMHYHV-UHFFFAOYSA-N 330.388 2.648 50 40 EFGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(N(C)C)o2)cc1 408792182 JDDDDDOEOWRABB-JLHYYAGUSA-N 339.351 2.678 50 40 EFGB Cc1nc(CSCCC(=O)NNC(=O)c2cccs2)cs1 40498534 UUUGSWXJCJLECJ-UHFFFAOYSA-N 341.483 2.598 50 40 EFGB C/C(=N/NC(=O)CSc1nc2ccccc2o1)c1ccncc1 546725 YCJPOUKFXNLHST-ODLFYWEKSA-N 326.381 2.855 50 40 EFGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@H]2[C@@H]1c1ccc(Cl)cc1 5570121 FTVQTJNIFPGIEH-BREBYQMCSA-N 342.708 2.611 50 40 EFGB CCOC(=O)c1ccc(NC(=S)NNC(=O)c2cccs2)cc1 2783863 PVVSFQPZHIEHSF-UHFFFAOYSA-N 349.437 2.556 50 40 EFGB Cc1ccc(N(NC(=O)C(C)(C)O)C(=O)c2ccccc2)cc1C 509930 LCKLODFGPZINRQ-UHFFFAOYSA-N 326.396 2.752 50 40 EFGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1cccc([N+](=O)[O-])c1 59333701 YEZGBJXESIXDMK-DHDCSXOGSA-N 338.367 2.998 50 40 EFGB C/C(=N\NC(=O)c1ccccc1C)c1ccc(N2CCOCC2)cc1 1009044 RSUHOMVYSOPGEN-LTGZKZEYSA-N 337.423 2.986 50 40 EFGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)c(C)n1C 408786416 JNJRTCKYZAKHJW-QKBHPVBBSA-N 344.422 2.850 50 40 EFGB CCOc1ccc(/C(C)=N/NC(=O)c2ccc(OC)cc2O)cc1 409392281 OSUCRYKTUYPPQQ-XDHOZWIPSA-N 328.368 2.954 50 40 EFGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc(O)c1O 13040442 HCDFMBHGEMMALD-VGOFMYFVSA-N 345.376 2.753 50 40 EFGB O=C(Cc1ccccc1F)NNC(=O)c1ccccc1-n1cccc1 13137692 ABCVFNHMNVVXAK-UHFFFAOYSA-N 337.354 2.620 50 40 EFGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2)cc1 6615623 NGKCTTOQCBRLRL-UHFFFAOYSA-N 326.396 2.824 50 40 EFGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)ccc1O 5685919 KWNGCDRVFPCQSZ-ZDUSSCGKSA-N 340.383 2.640 50 40 EFGB biogenic,in-vitro O=C(N/N=C\c1cccc([N+](=O)[O-])c1O)c1cc2ccccc2o1 408937423 GMTRLGCKCPGNTA-MFOYZWKCSA-N 325.280 2.811 50 40 EFGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1cccs1 3080066 YSZYYDVMZAMGPL-WOJGMQOQSA-N 329.425 2.962 50 40 EFGB Cc1c(C)c(C)c(S(=O)(=O)NNC(=O)C(C)(C)C)c(C)c1C 77708888 XSHIQPBUUGTFHB-UHFFFAOYSA-N 326.462 2.584 50 40 EFGB CCOc1ccc(CC(=O)N/N=C\c2ccc(C)c([N+](=O)[O-])c2)cc1 408712015 VTCLSNIZJMLKEI-UNOMPAQXSA-N 341.367 2.995 50 40 EFGB COc1cc2c(cc1/C=N/NC(=O)c1cc3ccccc3o1)OCO2 409071967 TVGCUNBXNRWAQO-DJKKODMXSA-N 338.319 2.934 50 40 EFGB CN1C=CC2=C(C#N)[C@@H](N)C(C#N)(C#N)[C@@H](c3ccccc3Cl)[C@H]2C1 95405715 ZEHUQTHLSUQWEG-RYQLBKOJSA-N 349.825 2.694 50 40 EFGB Cc1cccc(C[C@H]2CCN(C(=O)/C(C#N)=C/C(C)C)C[C@H]2O)c1 585289263 HADINICATYFCNE-NJHDJPHGSA-N 326.440 2.853 50 40 EFGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(Br)c(C)c1 5739860 HHIXHOOEGZABOC-GHXNOFRVSA-N 346.184 2.550 50 40 EFGB COc1ccccc1C(=O)N/N=C/c1cc2c(cc1Cl)OCO2 5880567 INRXMMNAJYZJDQ-QGMBQPNBSA-N 332.743 2.841 50 40 EFGB C=CCOc1cccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1 7892374 MLMBHQBJUWWEIX-LDADJPATSA-N 325.324 2.924 50 40 EFGB COc1ccc(C(=O)N/N=C/c2c[nH]nc2-c2ccc(F)cc2)cc1 8566840 IVDFXKWPYLBJBL-SRZZPIQSSA-N 338.342 2.988 50 40 EFGB O=C(O)COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2)c1 408925699 SXEALIALMPDKCI-GIJQJNRQSA-N 332.743 2.567 50 40 EFGB COc1cccc(/C=N\NC(=O)CNc2ccccc2C)c1OC 30819157 BIUVAVIAJOEPPW-JAIQZWGSSA-N 327.384 2.574 50 40 EFGB Cc1nn(Cc2ccccc2)c(C)c1/C=N/NC(=O)c1cccnc1 3335166 QBFQUMYDSJOLJZ-CIAFOILYSA-N 333.395 2.707 50 40 EFGB C[C@H](SCc1ccccc1)C(=O)N/N=C1\C(=O)Nc2ccccc21 5729890 YJWJNRWQELFTKE-LBPRGKRZSA-N 339.420 2.781 50 40 EFGB COCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 6638512 IIXILOVWEUTBEU-JLHYYAGUSA-N 341.323 2.524 50 40 EFGB C/C(=N\NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccccc1 16137052 KZRZSCJPARXUND-LTGZKZEYSA-N 337.423 2.673 50 40 EFGB COc1ccc(/C=N/NC(=O)[C@H](OC)c2ccccc2)c(OC)c1 408720164 VCQUOTKPKCCICZ-MIQLPHMESA-N 328.368 2.542 50 40 EFGB COc1ccc(/C=N\NC(=O)CSc2nc3ccccc3[nH]2)cc1 33293255 DHJZAXSEIXJAEQ-ZDLGFXPLSA-N 340.408 2.814 50 40 EFGB C[C@H](O)CN1CCN(SSc2nc3ccccc3s2)CC1 255187705 GGJSHWULCZFVSB-NSHDSACASA-N 341.527 2.950 50 40 EFGB CN1CCC(=NNC(=O)CSc2nc3ccccc3s2)CC1 57417206 SUMMGKUTCCCNGL-UHFFFAOYSA-N 334.470 2.586 50 40 EFGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC 2801060 MQXAGCXEURIHRC-NTEUORMPSA-N 326.352 2.910 50 40 EFGB CCOC(=O)CC(=O)CP(=O)(c1ccccc1)c1ccccc1 3308410 KDHFXZKTCNNEQY-UHFFFAOYSA-N 330.320 2.523 50 40 EFGB Cc1cccc(OCC(=O)NNC(=O)c2cccc3ccccc23)c1 3098077 MOPYSJNYFIDTMX-UHFFFAOYSA-N 334.375 2.988 50 40 EFGB CCCOc1ccc(C(=O)N/N=C/c2cc(OC)ccc2O)cc1 20197229 MAMZTEZNMYWZIT-XDHOZWIPSA-N 328.368 2.954 50 40 EFGB O=C(NNC(=O)c1cc2c(s1)CCCCCC2)c1cccnc1 12697918 RKRUJGFRXLDFCG-UHFFFAOYSA-N 329.425 2.877 50 40 EFGB O=C(O)COc1ccccc1/C=N/NC(=O)c1ccccc1Cl 13097051 DTSBIUOLDCJDNI-GIJQJNRQSA-N 332.743 2.567 50 40 EFGB O=C(CCc1ccccc1)NNC(=O)COc1cccc2ccccc12 4893471 WOLXYBHKKYLHRW-UHFFFAOYSA-N 348.402 2.999 50 40 EFGB O=C(NNC(=O)C1CCC1)c1cc(-c2ccccn2)nc2ccccc12 17400167 VEKAEUXESNNYPV-UHFFFAOYSA-N 346.390 2.858 50 40 EFGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2C)cc1 3060033 KQUHMXWXYYZFSG-VXLYETTFSA-N 345.786 2.746 50 40 EFGB COC(=O)CSC1=C(C#N)[C@H](c2cccc(Cl)c2)CC(=O)N1 189611 DDWAYZCKAPLOGW-NSHDSACASA-N 336.800 2.585 50 40 EFGB C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)/C=C\c1ccccc1 4859432 KTNJYRDINHJXNN-LZBRKGMLSA-N 335.407 2.551 50 40 EFGB C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1)c1csc(N)n1 54279196 YQNGYZRFTFETGZ-RGVLZGJSSA-N 346.456 2.942 50 40 EFGB CCCCNC(=O)/C(C#N)=C/N1CCN(c2cccc(Cl)c2)CC1 7572363 AYCAHNNDKRFQBH-CCEZHUSRSA-N 346.862 2.786 50 40 EFGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Cl)c1ccc([N+](=O)[O-])cc1 33346776 AVDQHIQKQLWNMR-PXNMLYILSA-N 348.702 2.920 50 40 EFGB NNC(=O)c1cc(Br)ccc1OCc1ccccc1F 226319283 QTXMZDYHYDUQMF-UHFFFAOYSA-N 339.164 2.771 50 40 EFGB Cc1cc(C)c(C#N)c(OCC(=O)N/N=C/c2ccccc2Cl)n1 32999 XNAZCUVSVAMMFR-AWQFTUOYSA-N 342.786 2.753 50 40 EFGB CC(C)(C(=O)NNC(=O)c1ccc2ccccc2n1)c1ccccc1 32904153 DKFGPWNPCIBCTD-UHFFFAOYSA-N 333.391 2.974 50 40 EFGB Cc1cc(C)nc(NNC(=O)c2csc(-c3ccccc3)n2)n1 14513344 RNUOCVRYVNFPRL-UHFFFAOYSA-N 325.397 2.974 50 40 EFGB COc1cccc(/C=N/NC(N)=O)c1OCc1ccc(Cl)cc1 41223866 POLJGOTXTRYZRF-DJKKODMXSA-N 333.775 2.930 50 40 EFGB CC(C)CCn1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)n1 253408366 XPWMPVSWKWGVHB-INIZCTEOSA-N 326.400 2.744 50 40 EFGB CC1=C(C)/C(=N/S(=O)(=O)c2ccccc2)[C@H](Cl)[C@H](Cl)C1=O 101028257 VJLKICUZJPVTAP-PXDUDJNXSA-N 346.235 2.950 50 40 EFGB CCOc1cccc(/C=N/NC(=O)COc2cccc(C)c2C)c1O 342445 XJVCGANKHAPROH-RGVLZGJSSA-N 342.395 2.937 50 40 EFGB O=S1(=O)c2ccccc2[C@H](Br)[C@@H]1Br 1672902 WIBNBPJBXWIBAP-JGVFFNPUSA-N 326.009 2.631 50 40 EFGB CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1 9011738 XHOPOZSWAATDMM-CYBMUJFWSA-N 330.409 2.712 50 40 EFGB C/C(N)=C(\C#N)C(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 105802408 CPSLGCZBOQQESG-ATVHPVEESA-N 338.338 2.761 50 40 EFGB N#Cc1ccc(OCC(=O)N/N=C/c2ccc3ccccc3c2O)cc1 408563552 NMZBVSWZJUGMTE-WSDLNYQXSA-N 345.358 2.946 50 40 EFGB COc1cccc(C(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)c1 408829164 OEASNWVXRHXBGM-UDWIEESQSA-N 325.368 2.808 50 40 EFGB COc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OC)c(OC)c1 85408992 INEIIWNLGICCQL-SFHVURJKSA-N 338.363 2.931 50 40 EFGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)C12CC3CC(CC(C3)C1)C2 3899351 TYOLLYXXIYYKAX-VXLYETTFSA-N 343.383 2.967 50 40 EFGB CCCc1n[nH]c2c1[C@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 8568310 NMMCSZJDTNJTNF-CYBMUJFWSA-N 330.775 2.939 50 40 EFGB N#CC1=C(N)n2ncnc2N[C@H]1c1cccc(OCc2ccccc2)c1 18199240 OTQIUQZVJOTZFN-KRWDZBQOSA-N 344.378 2.675 50 40 EFGB C/C(=N/NC(=O)CNc1ccc2c(c1)OCO2)c1ccc(C)cc1C 408589023 KJYIAECLLQAZFP-STZFKDTASA-N 339.395 2.984 50 40 EFGB CC1(C)[C@H](O)[C@@]2(Br)CC[C@@]1(CC#N)[C@H]2Br 252487147 SNSPGLYSSKESNT-JZSSXWJLSA-N 337.055 2.978 50 40 EFGB O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1Cl 48108 ZECFHAOTRMQZAE-RQZCQDPDSA-N 333.731 2.777 50 40 EFGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@@H]2[C@@H]1c1ccc(Cl)cc1 5570112 FTVQTJNIFPGIEH-NRUUGDAUSA-N 342.708 2.611 50 40 EFGB O=C(O)c1ccc(/C=N/NC(=O)c2ccccc2Br)cc1 5867098 XEDAZXUBIVZUDP-RQZCQDPDSA-N 347.168 2.911 50 40 EFGB CCOC(=O)c1nc(-c2ccccc2)oc1NNC(=O)C(F)(F)F 32624804 PULAZIYIZRFICT-UHFFFAOYSA-N 343.261 2.524 50 40 EFGB O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1 493341 FLINPNALAWAAMQ-UHFFFAOYSA-N 339.178 2.833 50 40 EFGB CCc1cccc(NC(=O)NNc2ccc(S(=O)(=O)O)cc2)c1 2156404 JABQGZSCXXZUAX-UHFFFAOYSA-N 335.385 2.644 50 40 EFGB CCOc1cc(/C=N/NC(=O)c2c(C)nc3sccn23)ccc1O 484897 IRAPCCQBLQODSG-RQZCQDPDSA-N 344.396 2.572 50 40 EFGB N#C/C(=C/NC(=S)C(N)=S)C(=O)c1ccc2ccccc2c1 104304455 OKOHHJCJFZITLL-LCYFTJDESA-N 325.418 2.633 50 40 EFGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(N)cc2)c(O)c1 3525512 YEXSEYDDPAWPDK-UDWIEESQSA-N 326.400 2.585 50 40 EFGB O=C(CCCC[C@@H]1CCSS1)NCCCN1CCOCC1 72776957 ZMQZYFFPDJKZKC-CQSZACIVSA-N 332.535 2.539 50 40 EFGB biogenic O=C(N/N=C\c1ccccc1O)c1cc(Br)ccc1O 96021739 MULGUYWFAXVEDZ-PXNMLYILSA-N 335.157 2.624 50 40 EFGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nn1cnnc1 242298 WWWBZKSXFLARBM-KPKJPENVSA-N 339.742 2.869 50 40 EFGB Cc1ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c(C)c1 2751681 KRLTVYDQAMSOKV-VCHYOVAHSA-N 327.340 2.741 50 40 EFGB Cn1ncc2c1CCC/C2=N\NC(=O)Cc1cccc2ccccc12 84310338 HXVAKOZWHOTFQR-RELWKKBWSA-N 332.407 2.973 50 40 EFGB COc1ccc2cc(C(=O)N/N=C/c3ccc(OC)c(O)c3)[nH]c2c1 2232638 CRCMWSXUHRCIGU-VXLYETTFSA-N 339.351 2.655 50 40 EFGB CCn1c(C)cc2c(c1=O)[C@@H](c1ccccc1F)C(C#N)=C(N)O2 2228398 PSBVIFZJHNOTFL-HNNXBMFYSA-N 325.343 2.534 50 40 EFGB N#CC1=C(SCC(=O)NC2CC2)N=C(O)[C@H](C#N)C12CCCCC2 2319607 ZVKHYVQLEOFZNO-LBPRGKRZSA-N 344.440 2.794 50 40 EFGB N#Cc1cccc(NNC(=O)NC2CCN(Cc3ccccc3)CC2)c1 12984771 ITKFVAGGOAHVLL-UHFFFAOYSA-N 349.438 2.849 50 40 EFGB COc1ccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCSC[C@H]32)cc1 4396162 BHDAXIWUFDUKEG-WBVHZDCISA-N 348.431 2.852 50 40 EFGB Cc1c(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] 3163422 LZMNVQKNGQLPES-LICLKQGHSA-N 342.311 2.504 50 40 EFGB C/C(=N\NC(=O)COc1cccc(Br)c1)c1ccccn1 5173010 PEYDBOGUTBLMBT-WOJGMQOQSA-N 348.200 2.763 50 40 EFGB Cc1ccc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1 59034 GGKFPPXNXRHGBI-VCHYOVAHSA-N 327.340 2.741 50 40 EFGB CC1(C)[C@]2(C)CC[C@]1(C(=O)N/N=C/c1ccccc1Cl)OC2=O 100260202 WLNBFMDKZABLNM-GRPSYMLLSA-N 334.803 2.912 50 40 EFGB CC(=O)N/N=C1/C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 6456737 GOAAIZNFPUWSLX-CAPFRKAQSA-N 327.771 2.727 50 40 EFGB Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3cccnc3)c2)n1 130426 VEDZRRLGAXESGV-CIAFOILYSA-N 333.395 2.707 50 40 EFGB CC1(C)[C@H]2C[C@H]3C[C@H](C(=O)O)[C@H](C(=O)O)C[C@@]3(C2)[C@@H]1Br 5103448 CETNOZJJQQHALZ-KVBBHUISSA-N 345.233 2.998 50 40 EFGB C/C(=N\NC(=O)c1ccc2c(c1)OCCO2)c1ccc(N(C)C)cc1 17697721 CVHQMDZHAQRSBU-DEDYPNTBSA-N 339.395 2.678 50 40 EFGB COc1ccc(-n2cccc2/C=N/NC(=O)c2ccc(O)cc2)cc1 9265581 HIBCFCMWTFUUCP-DEDYPNTBSA-N 335.363 2.955 50 40 EFGB CCOC(=O)C[C@H](NC(=O)CCl)c1ccc(Br)cc1 1616033112 LMLWUPXPZJQJQA-NSHDSACASA-N 348.624 2.798 50 40 EFGB O=C(N/N=C/c1cc(Br)cs1)[C@H](O)c1ccccc1 34054 XXIOLIZYBNVTBX-IWTIEGKHSA-N 339.214 2.694 50 40 EFGB C/C(=N\NC(=O)CSc1nc2ccccc2[nH]1)c1ccccc1O 5479994 ADDASXPZJHFRHQ-RGVLZGJSSA-N 340.408 2.901 50 40 EFGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccco1 4852711 ILNWTZGNBSKDPX-QMMMGPOBSA-N 343.166 2.815 50 40 EFGB CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccncc1 1516658 BKUPGHJIFYAHOJ-INIZCTEOSA-N 330.347 2.915 50 40 EFGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)n2c1 408977000 BYIQAHOXIJNWHO-GIJQJNRQSA-N 337.339 2.623 50 40 EFGB C=CCc1cc(/C=N\NC(=O)c2cccc(O)c2)cc(OCC)c1O 408845490 HHSQNROBOHILCA-NDENLUEZSA-N 340.379 2.989 50 40 EFGB O=C(NNC(=O)c1ccc2ccccc2n1)c1cc(-c2ccco2)on1 70010115 JMBYTZSJVBRYKZ-UHFFFAOYSA-N 348.318 2.558 50 40 EFGB C/C(=N\NC(=O)CSc1nc2ccccc2o1)c1ccccn1 5480000 WSAOXYAUTDBMNI-YBFXNURJSA-N 326.381 2.855 50 40 EFGB CCO[C@@H]1c2sc3nc[nH]c(=O)c3c2CC[C@@H]1Br 126464 ZNNJIQIYDOTXDM-CBAPKCEASA-N 329.219 2.772 50 40 EFGB COc1ccc(N2CCN(C(=O)/C(C#N)=C\c3ccccc3)CC2)cc1 6320085 DZCJEGQRVGZJMG-SDXDJHTJSA-N 347.418 2.951 50 40 EFGB O=C(Cn1ccc2ccccc21)NNC(=O)c1cc2ccccc2[nH]1 4607895 GQYULABEGZCQAI-UHFFFAOYSA-N 332.363 2.584 50 40 EFGB CCCOc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 20197223 DVDGNDLWGRZXPQ-WOJGMQOQSA-N 343.339 2.853 50 40 EFGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)NC[C@H]1CCCO1 408812324 OMOCKCTURPNELX-XETPBLJFSA-N 334.803 2.941 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2C)c(OC)c1 9425706 VQQZYKHJJRVJRD-RGVLZGJSSA-N 342.395 2.850 50 40 EFGB O=C1OC(=O)N(C(=O)OCc2ccccc2)[C@@H]1Cc1ccccc1 137410826 XGEVCUXPCGZQLQ-OAHLLOKOSA-N 325.320 2.913 50 40 EFGB O=C(Oc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2ccccc2)C1 198484678 XXDLVLISGVGLJK-LBPRGKRZSA-N 326.308 2.553 50 40 EFGB CC1=Nc2cc(Cl)ccc2[C@@H](c2ccccc2)N1CC(=O)NN 256027894 IQDQUBHCUWWNAP-QGZVFWFLSA-N 328.803 2.785 50 40 EFGB COc1ccc(/C=N/NC(=O)CO/N=C(/C)c2cccs2)cc1 5479927 FILBHWBTFTVKNN-PCGFVGKKSA-N 331.397 2.648 50 40 EFGB CCSC(SCC)C(=O)NNC(=S)Nc1ccccc1 3015726 JJWPCVSUYHCRFJ-UHFFFAOYSA-N 329.516 2.837 50 40 EFGB C[C@@H](NC(=O)C(=O)N/N=C/c1cccc(Cl)c1)c1ccccc1 59505955 JFAHRNPLDMKPEA-ZGXHQARYSA-N 329.787 2.668 50 40 EFGB CC(C)CC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 10160340 HZRRRMSUFRWYAD-VIFPVBQESA-N 333.215 2.954 50 40 EFGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1O 408968856 ZTGWNAQZVKGMOU-DNTJNYDQSA-N 347.733 2.829 50 40 EFGB CN(C[C@H]1CCCCN1C(=O)CCl)C(=O)OCc1ccccc1 79411873 DKHISFMLTJJNKT-OAHLLOKOSA-N 338.835 2.875 50 40 EFGB O=S1(=O)c2ccccc2[C@@H](N2CCCCC2)[C@H]1Br 90470063 XWSDTNCPIPMWKN-OLZOCXBDSA-N 330.247 2.722 50 40 EFGB CC(C)CCN1C(=O)/C(=N\NC(=O)c2cccnc2)c2ccccc21 100084253 BMVLQXVQNKZKTI-FXBPSFAMSA-N 336.395 2.608 50 40 EFGB C[C@@H]1CCc2sc(C(=O)NNC(=O)c3ccc(Cl)nc3)cc2C1 5839725 QZDCKHLPMAYCRG-SECBINFHSA-N 349.843 2.996 50 40 EFGB CCCC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2O)cc1 60274 CMUIKFQMQIDCMK-XDHOZWIPSA-N 325.368 2.895 50 40 EFGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(O)c1 20248078 XUAULXCZHFCQLA-RQZCQDPDSA-N 345.380 2.684 50 40 EFGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC)NC(=O)[C@H]1C#N 9374068 OOIMOHSRCPQOOT-SWLSCSKDSA-N 327.409 2.927 50 40 EFGB CSCC(=O)NNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 89995354 NYFNVOKYSNHRJZ-MNOVXSKESA-N 333.240 2.607 50 40 EFGB CCCCCCCCCC(=O)NNC(=S)NC[C@H]1CCCO1 97941843 BARMOOVETWBQRQ-CQSZACIVSA-N 329.510 2.801 50 40 EFGB C/C(=N\NC(=O)COc1cccc2cccnc12)c1ccc(N)cc1 12524374 XXYUGWLEZKSWLS-LPYMAVHISA-N 334.379 2.736 50 40 EFGB N#C/C(N)=C(C#N)/N=C/c1coc2c(Cl)cc(Cl)cc2c1=O 100429706 IMLWIKDYGOGDFM-VGKPWJHISA-N 333.134 2.736 50 40 EFGB CCC[C@H](Br)C(=O)NCCC(=O)Nc1ccc(F)cc1 8733180 DFDCGZDCWNJKIY-LBPRGKRZSA-N 345.212 2.834 50 40 EFGB C[C@]12CO[C@@]3(C(=O)NNc4ccc([N+](=O)[O-])cc4)C[C@@H]1CC[C@@]32C 100924538 JXPWGQRXSSSLGE-IAOMBJDPSA-N 331.372 2.633 50 40 EFGB N#C/C(N)=C(C#N)/N=C\c1ccc(N(CCCl)CCCl)cc1 104228741 LGPBCPZUKQPRRC-BKGXZCCYSA-N 336.226 2.607 50 40 EFGB CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccccc2O)cc1 4699169 KXCRQPVEFBADHX-RXWSAZGZSA-N 342.395 2.755 50 40 EFGB COc1cc(C)c(/C=N/NC(=O)c2cccnc2Cl)cc1OC 33795513 UICJKJRBOJBIJK-DJKKODMXSA-N 333.775 2.825 50 40 EFGB N#C/C(=C/c1ccccc1OCC(=O)O)C(=O)Nc1ccccc1F 44867239 QSZRHUAKQGGMDK-LCYFTJDESA-N 340.310 2.835 50 40 EFGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(N(C)C)o2)cc1 564008 AZHSCZHQUOGWFX-UVTDQMKNSA-N 325.368 2.578 50 40 EFGB CCOc1ccc(/C=N/NC(=O)COc2ccc(OC)cc2)cc1 13978096 WVGMJCQWNZDYRM-XDHOZWIPSA-N 328.368 2.623 50 40 EFGB CCC(=O)NNc1ncnc2c1cnn2-c1cc(Cl)ccc1C 17248232 OEARGHCQYNUAHM-UHFFFAOYSA-N 330.779 2.630 50 40 EFGB O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)C1CC1 6240518 YJGTWIYHMIRZBC-UHFFFAOYSA-N 331.199 2.710 50 40 EFGB Cc1ccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)cc1 246585 HIAMLTQPZXRPPI-UHFFFAOYSA-N 340.404 2.772 50 40 EFGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 358088 UZQSSBYLGIEYTN-WOJGMQOQSA-N 340.339 2.707 50 40 EFGB O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])o1)c1cccc([N+](=O)[O-])c1 3136491 PBXWEFTWHLPFBP-JTWRYOSZSA-N 330.256 2.525 50 40 EFGB CC(=O)Nc1cc(OCCCl)c(OCCCl)cc1[N+](=O)[O-] 5003400 JEVNTOSDBRNGRI-UHFFFAOYSA-N 337.159 2.788 50 40 EFGB CCOC(=O)/C(C#N)=C/Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 139285215 NCXVDHKIXUHEER-BQYQJAHWSA-N 329.234 2.996 50 40 EFGB Cc1cc(C)nc(NNC(=O)c2ccc(OCc3ccncc3)cc2)n1 29781560 QKCAQMMHLLNNFC-UHFFFAOYSA-N 349.394 2.824 50 40 EFGB O=C(NNc1nc2c(F)cccc2s1)[C@H]1COc2ccccc2O1 4121349 VWBYELTYXIWSAZ-GFCCVEGCSA-N 345.355 2.719 50 40 EFGB COc1ccc(/C=N/NC(=O)[C@@H](C)Nc2ccc(OC)cc2)cc1 369926 MHHLIRLWVLMAQW-KZKLBEMASA-N 327.384 2.655 50 40 EFGB Cc1cc(C)cc(OCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c1 580232 LPGUHOZGWOJXOZ-VCHYOVAHSA-N 327.340 2.741 50 40 EFGB COC(=O)N[C@H]1c2ccccc2CC[C@@H]1I 4887550 FUMDWBGYZTWGQC-QWRGUYRKSA-N 331.153 2.834 50 40 EFGB CCCCNC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1 6323116 YYHXCEIDFULZDY-CQSZACIVSA-N 343.452 2.675 50 40 EFGB COc1ccc([C@H]2[C@H]3CSCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 20026746 VLGSDIRAROUSRY-IRXDYDNUSA-N 348.431 2.852 50 40 EFGB O=C(CCc1ccccc1)NNC1=C(C(=O)C(F)(F)F)CCC1 4117851 BBOQLAKUHMMRKU-UHFFFAOYSA-N 326.318 2.809 50 40 EFGB C/C(=N/NC(=O)c1ccco1)c1cccc(NC(=O)C(F)(F)F)c1 5888805 VAYAKKFOJUXLDJ-UKWGHVSLSA-N 339.273 2.934 50 40 EFGB Cc1ccc(C(=O)NNC(=O)c2cc3ccccc3cc2O)s1 8156585 WQWQXJVCSUJHJI-UHFFFAOYSA-N 326.377 2.990 50 40 EFGB COC(=O)c1ccccc1N/C=C(/C#N)C(=O)NC1CCCCC1 11692039 AGRYTVBMTMUJAR-SEYXRHQNSA-N 327.384 2.741 50 40 EFGB O=C(N/N=C/c1cc(Br)c(O)cc1O)c1ccccc1 5601343 MWEDQTDEFZWCIJ-LZYBPNLTSA-N 335.157 2.624 50 40 EFGB CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CCl)cc1 8428156 VUAACKSMMNUVSJ-UHFFFAOYSA-N 344.864 2.817 50 40 EFGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N/NC(C)=O)c2C)c1 409018727 YSKLVLIEOHJYPB-VXLYETTFSA-N 327.384 2.659 50 40 EFGB C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 2061000453 RWIPICHSONKYAJ-JTQLQIEISA-N 332.268 2.876 50 40 EFGB Cc1ccc(C)n1-c1ccsc1C(=O)NNC(=O)C(Cl)Cl 140809 MVGSKOXVMMOWTI-UHFFFAOYSA-N 346.239 2.720 50 40 EFGB CCc1c(C(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)csc1C 6489854 OLYVILMCKRBCMW-MISXGVKJSA-N 337.514 2.916 50 40 EFGB O=C(COc1ccc(Cl)c2ccccc12)NNc1ncccn1 44716290 HGFDWXUCDHHHRE-UHFFFAOYSA-N 328.759 2.805 50 40 EFGB COc1cccc(-c2n[nH]c3c2[C@H](c2ccoc2)C(C#N)=C(N)O3)c1 5817962 BFSGOLWAUQDRDV-CQSZACIVSA-N 334.335 2.896 50 40 EFGB C/C(=N/NC(=O)CNc1ccc2c(c1)OCO2)c1cc(C)ccc1C 408590009 NVNZQNILTBUBET-STZFKDTASA-N 339.395 2.984 50 40 EFGB Cc1ccc(C(=O)N/N=C\c2cc(O)c(O)c(Br)c2)cc1 36237506 BHFDXRZGUNGXLL-IUXPMGMMSA-N 349.184 2.933 50 40 EFGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OC)cc2)cc1 485197 GQUHNTMTFLGHCO-XDHOZWIPSA-N 325.368 2.808 50 40 EFGB Cc1ccc(C(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)cn1 123658 NKNFURKOWMBDQI-UDWIEESQSA-N 349.350 2.853 50 40 EFGB O=[P@]1(N(CCCl)CCCl)OCCCN1Br 1576400 AQFUPVUTQOBSTG-OAHLLOKOSA-N 339.985 2.906 50 40 EFGB COC[C@@H](OC)[C@@H](Cl)C(=O)Nc1ccc(Br)cc1 1593507 POFFKFJTJWAGOY-GHMZBOCLSA-N 336.613 2.656 50 40 EFGB Cc1cc2c(cc1C)N/C(=C\C(=O)N/N=C/c1ccccc1)C(=O)N2 408719190 AEIIBLMRLORGKM-ZXUGUATJSA-N 334.379 2.702 50 40 EFGB O=C(CCc1ccccc1O)NNC1=C(C(=O)C(F)(F)F)CCC1 408563863 RCHMCRUVKUEVTQ-UHFFFAOYSA-N 342.317 2.515 50 40 EFGB NNC(=O)c1ccc2[nH]c(-c3ccccc3Br)nc2c1 226235459 QUMSBUNIVDHANP-UHFFFAOYSA-N 331.173 2.596 50 40 EFGB C[C@H](Br)[C@@H](O)c1cc2c(cc1Br)OCO2 1622011 ATLHCIZOBPXMBG-XUOSJQGZSA-N 337.995 2.995 50 40 EFGB O[C@@H](CBr)C[n+]1cc(Br)cc2ccccc21 1664805 LFDBAQVLDITALK-NSHDSACASA-N 346.042 2.646 50 40 EFGB CCCCCOc1ccc(C(=O)OCC(=O)/C(C#N)=C(/C)N)cc1 104514834 HCTIPYABTLVOBI-SSZFMOIBSA-N 330.384 2.738 50 40 EFGB C/C(CCc1ccccc1)=N\NC(=O)C(=O)Nc1ccccc1F 59434105 VMZCGGZAHAZFSS-FYJGNVAPSA-N 327.359 2.889 50 40 EFGB O=C(N/N=C/c1ccc(OC(F)F)cc1)c1cccc([N+](=O)[O-])c1 3205198 DNKNKJFEQGTXOT-GIJQJNRQSA-N 335.266 2.960 50 40 EFGB O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C\C=C\c1ccccc1 13132542 VFTPMGANFMNFBN-LGCJVJRSSA-N 341.798 2.885 50 40 EFGB Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccccc1C(=O)O 6611167 MPDGPDKWJQKFAQ-DJKKODMXSA-N 346.770 2.876 50 40 EFGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1 4702984 JDPPCEUHBOVXMK-DEDYPNTBSA-N 337.379 2.649 50 40 EFGB O=C(N/N=C/c1ccc(Br)o1)c1ccc2c(c1)OCO2 408724297 AAVGYLKZUANPFT-GIDUJCDVSA-N 337.129 2.535 50 40 EFGB CN(C(=O)CCl)C1CCC(NC(=O)OCc2ccccc2)CC1 79392657 IJVQGZRVBWYUKE-UHFFFAOYSA-N 338.835 2.921 50 40 EFGB O=C(N/N=C1/C[C@H]2C=CC[C@@H]12)C(O)(c1ccccc1)c1ccccc1 5681870 FXGAQUMEOREADN-HFWPHTGFSA-N 332.403 2.991 50 40 EFGB N#C/C(=C\c1ccc(Br)cc1)C(=O)NC[C@H]1CCCO1 16437405 IAIZTWSXRGEZSZ-CEFACKQISA-N 335.201 2.651 50 40 EFGB COc1ccc(CNC(=O)/C(C#N)=C\c2cccc([N+](=O)[O-])c2)cc1 208760400 VERQTRBRLFRWTR-DHDCSXOGSA-N 337.335 2.827 50 40 EFGB Cc1ccccc1-n1c(C)cc(C(=O)NNC(=O)c2ccncc2)c1C 3359350 BZSPCZBUBAFEAH-UHFFFAOYSA-N 348.406 2.872 50 40 EFGB COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(F)cc2)cc1O 3301132 LMDJOOGSHPDUBI-RIYZIHGNSA-N 333.340 2.878 50 40 EFGB COc1ccc(CCNC(=O)c2ccccc2NC(=O)CCl)cc1 3886450 QFIYKRLCVJPLKD-UHFFFAOYSA-N 346.814 2.845 50 40 EFGB in-vitro CCOC(=O)C/C(C)=N/NC(=O)COc1cc(C)ccc1C(C)C 4866739 SYWBSOKFMOWQBZ-XMHGGMMESA-N 334.416 2.943 50 40 EFGB CCOC(=O)C/C(C)=N\NC(=O)COc1ccc(Cl)cc1Cl 100218398 QKKWWUCCKNALDL-MFOYZWKCSA-N 347.198 2.818 50 40 EFGB N#Cc1ccc(OCC(=O)NNC(=O)c2ccc3ccccc3c2)cc1 3265335 YPZSUXWPVJHUEM-UHFFFAOYSA-N 345.358 2.551 50 40 EFGB CCc1ccc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)cc1 4735446 WBVBKVCIWDVULH-DEDYPNTBSA-N 326.396 2.959 50 40 EFGB COc1cccc(/C=N/NC(N)=O)c1OCc1ccccc1Cl 41223876 JVLGDEAGOLJNNT-DJKKODMXSA-N 333.775 2.930 50 40 EFGB COc1cccc(/C=N\NC(=O)CNc2cccc(C)c2)c1OC 13602517 FGMKZFYMFJEMPF-JAIQZWGSSA-N 327.384 2.574 50 40 EFGB COc1cccc([C@H]2Nc3nc4ccccc4n3C(N)=C2C#N)c1OC 20086215 XGGCHMGNTMSHSW-MRXNPFEDSA-N 347.378 2.871 50 40 EFGB N#C/C(=C/c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)NC1CCCCC1 258450 VNTRZCAOMOZBGC-SDQBBNPISA-N 343.339 2.679 50 40 EFGB C=C(Br)CN(CC(=C)Br)NC(=O)OCC 1604006 ZLZCAJRRUZKKMV-UHFFFAOYSA-N 342.031 2.767 50 40 EFGB Cc1ccc(O[C@H](C)C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1 12137076 KQVJTMUMQDHMRO-CYBMUJFWSA-N 346.814 2.806 50 40 EFGB CCOC(=O)N/N=C\c1cc(Br)c(OC)c(OC)c1 28632509 SYHPEOUFDHVZHY-AUWJEWJLSA-N 331.166 2.546 50 40 EFGB COc1cc(OC)c(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1Cl 408590688 QFXDJQUAZPNIGT-JJLFXSABSA-N 348.786 2.541 50 40 EFGB Cc1ccc(S[C@@H](C)C(=O)NNC(=O)c2cccc(O)c2)cc1 9604173 CFENONCTNYPGGF-LBPRGKRZSA-N 330.409 2.642 50 40 EFGB COc1ccc(CCCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c(C)c1 408905741 DEXYQURBKPPTRM-WOJGMQOQSA-N 345.355 2.978 50 40 EFGB COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc([N+](=O)[O-])c1O 409044477 CRSIUBANARKHCP-UENAZDKNSA-N 347.371 2.585 50 40 EFGB CC1(CC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)SCCS1 32116899 MIKINQMXUJKJGO-ZROIWOOFSA-N 325.415 2.631 50 40 EFGB COc1ccc(N/C=C(\C#N)S(=O)(=O)c2ccccc2)c(OC)c1 44842216 QACGCNPFBNNPCV-NTCAYCPXSA-N 344.392 2.955 50 40 EFGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OC)c(O)c2)cc1 193794342 JILXWAYIJNUGIS-DHDCSXOGSA-N 338.363 2.633 50 40 EFGB COc1ccc(NC(=O)C(=O)NN=C(C)CCc2ccccc2)cc1 254771579 PBRMMHDYJVBABI-UHFFFAOYSA-N 339.395 2.759 50 40 EFGB N#C/C(=C\c1cnn(Cc2ccccc2)c1)C(=O)Nc1nccs1 27121859 FZJNGPMLGFMJLR-OVCLIPMQSA-N 335.392 2.934 50 40 EFGB COc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc(OC)c1C 3560840 ROVIPTPPCLCRBG-UHFFFAOYSA-N 348.786 2.740 50 40 EFGB O=C(N/N=C/c1cccc(O)c1)C(O)(c1ccccc1)c1ccccc1 115106 UZGSPZVMFTVRLF-PXLXIMEGSA-N 346.386 2.778 50 40 EFGB Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccccc2)c1 142603 HHZGMJUEUPGZNA-UHFFFAOYSA-N 329.425 2.700 50 40 EFGB COc1ccc(/C=N/NC(=O)CNc2ccc(C)cc2)cc1OC 2801469 FQDDZALTQOHZTG-RGVLZGJSSA-N 327.384 2.574 50 40 EFGB C#CCOc1ccc(/C=C(/C#N)C(=O)NCCCC)cc1OCC 96663431 IWSXXWXMHDDQOE-VBKFSLOCSA-N 326.396 2.921 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2ccccc2C)c(OC)c1 354439 DOVXDVCJLSKQKR-YBFXNURJSA-N 328.368 2.541 50 40 EFGB O=NN(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 5385154 GECKRTAFPKFNDX-UHFFFAOYSA-N 343.339 2.555 50 40 EFGB BrC[C@H]1CN[C@@](Br)(N2CCCCC2)S1 19318696 KEGOIUYZGLTPNT-IUCAKERBSA-N 344.116 2.578 50 40 EFGB COc1ccc2oc(C(=O)NNC(=O)c3ccc(F)cc3)c(C)c2c1 5558049 BPVFEDPHEDZMRE-UHFFFAOYSA-N 342.326 2.964 50 40 EFGB CC(C)c1ccc(C(=O)NC(=S)NNC(=O)c2cccs2)cc1 6358949 IEQVURGDJLYMKX-UHFFFAOYSA-N 347.465 2.821 50 40 EFGB Cc1cc(C)nc(NNC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)n1 47297252 KAOHQQQCQUXXBH-UHFFFAOYSA-N 342.399 2.907 50 40 EFGB N#C/C(=C\c1ccc(-c2ccc(F)cc2F)o1)C(=O)N1CCOCC1 408605139 XAFYHIOOROLQRV-FMIVXFBMSA-N 344.317 2.991 50 40 EFGB C[C@@H](C(=O)N/N=C/c1ccccc1Cl)n1nnc2ccccc21 124608 OAABKKWHMSLVFX-HPAYWCODSA-N 327.775 2.796 50 40 EFGB CCOc1ccc(NCC(=O)NNC(=S)Nc2ccccc2)cc1 13544377 ZLXUGHQAJMWKFA-UHFFFAOYSA-N 344.440 2.515 50 40 EFGB CCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc(O)cc2C)C1=O 9060697 GFQOGXWDSXDSLJ-GDNBJRDFSA-N 325.368 2.615 50 40 EFGB NNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 4294074 KFVOCHVKQPMRCO-UHFFFAOYSA-N 333.395 2.779 50 40 EFGB O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1ccccc1O 4676547 VESSEQKMDYNQRA-UDWIEESQSA-N 327.359 2.895 50 40 EFGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](CCc3ccccc3)[C@H]2C1 20000864 WZGYXEQKTWLZDZ-RBUKOAKNSA-N 343.434 2.507 50 40 EFGB Cc1ccc(-c2nc(C(N)=O)c(NNC(=O)c3ccccc3)o2)cc1 35681828 JPIIZCXCELDUFU-UHFFFAOYSA-N 336.351 2.506 50 40 EFGB NNC(=O)/C=C/c1ccc(-c2ccc(F)cc2Br)o1 226256386 KJAXMKNLSDVSSJ-ZZXKWVIFSA-N 325.137 2.851 50 40 EFGB O=C(N/N=C\C=C/c1ccccc1)C(=O)N/N=C\C=C/c1ccccc1 17313726 HIRBYBFHMTYBOX-LILUEJHUSA-N 346.390 2.617 50 40 EFGB COc1ccc2c(c1)c(C(=O)NN=Cc1cccc(O)c1)c(C)n2C 13110492 VQYSXDXQAVSPLT-UHFFFAOYSA-N 337.379 2.965 50 40 EFGB COC(=O)c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 224470 KGVFWDDFVFVQLK-VXLYETTFSA-N 346.770 2.656 50 40 EFGB O=C(N/N=C1/C[C@H]2C=CC[C@H]12)C(O)(c1ccccc1)c1ccccc1 5681866 FXGAQUMEOREADN-WSSRFSOUSA-N 332.403 2.991 50 40 EFGB Cc1cc(OCC(=O)N/N=C/c2ccc(C(=O)O)cc2)ccc1Cl 8183373 RXHOUVNSQOLQNX-DJKKODMXSA-N 346.770 2.876 50 40 EFGB C#CCn1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)c2ccccc21 573181 KYWJNDYEHXGNOY-HYARGMPZSA-N 345.402 2.976 50 40 EFGB Cc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1 5823248 TVYGXJSUYLCRAT-UHFFFAOYSA-N 327.340 2.595 50 40 EFGB COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2C)[C@H](C#N)C(O)=N1 189241 XYPSWAAPWIMKHZ-WFASDCNBSA-N 341.392 2.830 50 40 EFGB O=C(Oc1ccc([N+](=O)[O-])cc1)c1csc(-c2ncccn2)n1 103622805 UJDYLFHCHWPURP-UHFFFAOYSA-N 328.309 2.728 50 40 EFGB COc1ccc(C(=O)N/N=C/c2cc3cccc(C)c3[nH]c2=O)cc1 23175957 ZCFWPVANQCTTQU-RGVLZGJSSA-N 335.363 2.609 50 40 EFGB COC(=O)c1ccc(/C=C(\C#N)C(=O)NCc2cccs2)cc1 4679614 KSMREOKNCDBLDJ-NTEUORMPSA-N 326.377 2.758 50 40 EFGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NCCCl 408981682 WCMPZQPCLWEYOZ-MRXNPFEDSA-N 330.815 2.903 50 40 EFGB Cc1cc(O)nc(Sc2ccc(C=C(C#N)C#N)cc2[N+](=O)[O-])n1 409104725 FESCKDQRGYHOKL-UHFFFAOYSA-N 339.336 2.981 50 40 EFGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCC#N 409369091 BMQLAGCTKODOOO-RVDMUPIBSA-N 325.368 2.517 50 40 EFGB Cc1ccc(C)c(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)c1 409366867 ZRHXESNNRCTZIW-ZDLGFXPLSA-N 327.340 2.610 50 40 EFGB Cn1nccc1CC(=O)N1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1 585125590 XXIQKTCLVBLMSC-OAHLLOKOSA-N 337.540 2.975 50 40 EFGB COC(=O)c1sccc1NC(=O)/C(C#N)=C/c1ccc(O)cc1 81785 AVFWSFOLLCJGKX-DHZHZOJOSA-N 328.349 2.786 50 40 EFGB CC(C)NC(=O)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 5384414 TYLLJOFSTLUHPT-CIAFOILYSA-N 333.391 2.968 50 40 EFGB COc1cc(C(=O)N/N=C(\C)c2ccccc2)cc(OC)c1OC 5222356 LQBPYAPHOKTXSG-XDHOZWIPSA-N 328.368 2.866 50 40 EFGB O=C(Cc1cccs1)NNC(=O)c1csc(-c2ccsc2)n1 40467623 WFJMKBHUCJWPAC-UHFFFAOYSA-N 349.462 2.937 50 40 EFGB CC1=C(C)/C(=N/S(=O)(=O)c2ccccc2)[C@@H](Cl)[C@@H](Cl)C1=O 101028252 VJLKICUZJPVTAP-FKQHZEHCSA-N 346.235 2.950 50 40 EFGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCC)c(OC)c1 2888095 PPSBWTXJRLTQEL-RVDMUPIBSA-N 342.395 3.000 50 40 EFGB Cc1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1957568 VKSDGVNBIVTHLO-CXUHLZMHSA-N 328.284 2.575 50 40 EFGB COc1ccccc1NC(=O)C(=O)N/N=C\c1c(F)cccc1Cl 59444782 DFQBFXLSAYQTSA-OCKHKDLRSA-N 349.749 2.577 50 40 EFGB C=CCc1cccc(/C=N/NC(=O)Cc2nc3ccccc3[nH]2)c1O 5377498 MZHJIVFHFZELEL-UDWIEESQSA-N 334.379 2.690 50 40 EFGB Cc1occc1C(=O)NNC(=O)c1cc2c(nc3sccn32)s1 7138294 GDMIYVQKHLNBBG-UHFFFAOYSA-N 346.393 2.587 50 40 EFGB O=C(NC[C@@H]1CCOC1)NNc1nc(Cl)c(Cl)cc1Cl 47068325 AUKSRSSCURWXCT-LURJTMIESA-N 339.610 2.704 50 40 EFGB CC[n+]1cccc([C@H](O)P(=O)(c2ccccc2)c2ccccc2)c1 3100108 CZJNDQWKINMYGD-HXUWFJFHSA-N 338.367 2.999 50 40 EFGB CC(C)/N=C1\S[C@@H]2CS(=O)(=O)[C@H](Br)[C@@]2(C)S1 139231232 LGLVMTROHNJGDS-AAWCXJAKSA-N 344.321 2.508 50 40 EFGB Cc1cc(Br)cc(/C=N/NC(=O)c2cccnc2)c1O 3024111 KZDWSZITWDUQIS-CAOOACKPSA-N 334.173 2.622 50 40 EFGB COC(=O)c1ccccc1N/C=C(\C#N)C(=O)NCc1ccccc1 8974924 HMNTYVBFSKXHEF-FYWRMAATSA-N 335.363 2.609 50 40 EFGB CCCc1ccc(OCC(=O)NNC(=O)c2cccc(C)c2)cc1 146518 ADUPPUODRAPZKW-UHFFFAOYSA-N 326.396 2.788 50 40 EFGB O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 143455 NMDTVQVLAIMXJG-UHFFFAOYSA-N 334.719 2.715 50 40 EFGB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C/c1ccc[nH]1 3546881 XRYRXMYUVXERNY-DNTJNYDQSA-N 335.289 2.534 50 40 EFGB C[C@@]1(CBr)CSc2n(C[C@H]3CO3)c3ccccc3[n+]21 4868284 PISGPIGFHCSKJY-IINYFYTJSA-N 340.266 2.543 50 40 EFGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(N)=O)cc2)c1C 408962056 GCRONOMCFZPOKV-YBEGLDIGSA-N 349.390 2.713 50 40 EFGB COC(=O)C1=CO[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2C(CO)=CC[C@H]12 196552103 ZHJKJXLUEISYQG-XPKDYRNWSA-N 340.492 2.976 50 40 EFGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cnn(CC(F)F)c1 253398801 HOPNKJIWFWTBJP-CQSZACIVSA-N 348.353 2.599 50 40 EFGB CCCn1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)n1 253401077 MKZKLGCIALJUMU-HNNXBMFYSA-N 326.400 2.744 50 40 EFGB N[C@@H](Cc1ccc(OCCCCCBr)cc1)C(=O)O 1542984419 BKRSSVSQLJMXIS-ZDUSSCGKSA-N 330.222 2.585 50 40 EFGB CC(=O)c1ccc(NC(=S)NNC(=O)CCc2ccccc2)cc1 6318203 GRPOYFNAAUIJRJ-UHFFFAOYSA-N 341.436 2.840 50 40 EFGB Cc1cc(C)n(CC(=O)N/N=C/c2ccccc2OC(F)(F)F)n1 14167270 QXBXDCKIHCHHJN-UFWORHAWSA-N 340.305 2.549 50 40 EFGB CCOc1ccccc1/C=N/NC(=O)c1cccc(NC(C)=O)c1 582133 HZSKHETXGWUHJU-XDHOZWIPSA-N 325.368 2.808 50 40 EFGB CC(=O)Oc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccn2)cc1 188530 LEOICZUYEDJLQZ-ZGXHQARYSA-N 343.408 2.638 50 40 EFGB COc1ccc(/C=N/NC(=O)/C(C#N)=C/c2ccc(OC)cc2)cc1 1560789 UWYUJRQTXQASMK-MUIFUQOHSA-N 335.363 2.761 50 40 EFGB C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C1/C(=O)Nc2ccccc21 2802033 IITHTBVBMHEQDM-SNVBAGLBSA-N 343.770 2.580 50 40 EFGB COc1cc(/C=C(/C#N)C(N)=O)ccc1OCc1ccc(F)cc1 33423984 KIKOHBIXUWDVNO-ZSOIEALJSA-N 326.327 2.806 50 40 EFGB O=C(NNC(=O)c1ccccc1SC(F)F)c1ccccc1O 12736374 VOYGSRLUYPGSPQ-UHFFFAOYSA-N 338.335 2.782 50 40 EFGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1ccc(OC2CCCC2)cc1 252483180 DWPMSRFCSPGWAI-RGVLZGJSSA-N 344.390 2.953 50 40 EFGB C[C@H](C(=O)N/N=C/c1ccc(F)s1)n1cc(Br)cn1 252481417 CKYUNNVFNCVAKT-LTCVEOEISA-N 345.197 2.558 50 40 EFGB COc1cc(/C=N/NC(=O)c2ccccc2F)ccc1OCC#N 3537221 YNZDLKUDQLCKER-RGVLZGJSSA-N 327.315 2.501 50 40 EFGB O=C(Oc1ccc(/C=N/NC(=O)C(F)(F)F)cc1)c1ccco1 2753826 IWSTWXCMNKAVRM-QGMBQPNBSA-N 326.230 2.511 50 40 EFGB CC(C)N1CC=C2[C@@H](C1)[C@@H](c1ccccc1)C(C#N)=C(N)C2(C#N)C#N 20469829 UHGQDQCGBDOXBI-MJGOQNOKSA-N 343.434 2.820 50 40 EFGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CSc1ccccc1 8238515 CGBNMRKVJXMEHI-LBPRGKRZSA-N 348.399 2.533 50 40 EFGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(C(=O)O)cc2)cc1 70010390 NYUYNCXATPNCTF-YBEGLDIGSA-N 336.347 2.617 50 40 EFGB C/C(=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 17071365 DZXNGXODEPRKDR-WOJGMQOQSA-N 341.323 2.786 50 40 EFGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(O)c(Cl)c1 409257537 SOOGDPDGKGGIQA-VXLYETTFSA-N 345.786 2.697 50 40 EFGB Cc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1C 59165 RBUWLGNEFZRBDU-VCHYOVAHSA-N 327.340 2.741 50 40 EFGB CCc1cc2c(C)ccc(C)c2nc1SCC(=O)NNC(C)=O 416750 NBPBVZQDDZOOQB-UHFFFAOYSA-N 331.441 2.673 50 40 EFGB CC(C)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1 7428877 DTHASVYKTRUVID-UHFFFAOYSA-N 336.388 2.572 50 40 EFGB COC(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2)cc1OC 408841547 JPWHPZRZXKEQQA-WOJGMQOQSA-N 328.324 2.604 50 40 EFGB O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1ccc2c(c1)OCO2 983897 JBYFLGUBFBXQIY-NGYBGAFCSA-N 346.726 2.561 50 40 EFGB O=C(NNC(=O)c1ccc(Cl)nc1)c1ccc(C(F)(F)F)cc1 166092 FBESMPKTMGDUKE-UHFFFAOYSA-N 343.692 2.829 50 40 EFGB COc1ccc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)cc1 3428640 DSCNPLPSOJGUBA-UHFFFAOYSA-N 338.285 2.789 50 40 EFGB O=C(NNc1ccccc1[N+](=O)[O-])c1cncc(Br)c1 8716917 KXEVUOJLLQXLFO-UHFFFAOYSA-N 337.133 2.509 50 40 EFGB CN1CCN(C(=O)c2cc(Cl)c(SC#N)c(Cl)c2)CC1 59842977 MPHRFAQMGYOGDX-UHFFFAOYSA-N 330.240 2.954 50 40 EFGB O=C(NN=C(c1ccccc1)c1ccccc1)c1cnn2cccnc12 58358133 GIRMWTAHULJPPM-UHFFFAOYSA-N 341.374 2.912 50 40 EFGB COc1cccc(N2CCC(=NNC(=O)NC3CCCC3)CC2)c1 63555192 UPBZXIJMABLCIC-UHFFFAOYSA-N 330.432 2.893 50 40 EFGB CCOc1ccc(/C(C)=N/NC(=O)c2cccnc2)cc1[N+](=O)[O-] 409046365 RDZNLELDXDXIKW-WOJGMQOQSA-N 328.328 2.543 50 40 EFGB COC(=O)/C(C#N)=C/c1cc(Br)c(OC)cc1OC 46278 KWIYLNONOVZADQ-RUDMXATFSA-N 326.146 2.546 50 40 EFGB O=C(NNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccncc1 5774674 CIEUBAJVCHZVEY-UHFFFAOYSA-N 333.347 2.949 50 40 EFGB Cc1ccsc1/C=N/NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 526799 GEFJOLOVTNUOGB-DKSCHZSNSA-N 345.399 2.699 50 40 EFGB C/C(=N\NC(=O)CCc1ccccc1)C1C(=O)c2ccccc2C1=O 100505455 KNYUDPNEPNNBPJ-FYJGNVAPSA-N 334.375 2.807 50 40 EFGB COc1ccc2nc(C(=O)NNC(=O)c3cc(C)oc3C)ccc2c1 12617182 SCTCEWULLHOBRM-UHFFFAOYSA-N 339.351 2.528 50 40 EFGB CC1(C)Cc2ccccc2/C(=C/C(=O)C(=O)N/N=C/c2ccccc2)N1 4728654 FITYRNODTVOYJG-CXLYJZFPSA-N 347.418 2.671 50 40 EFGB C/C(=N\NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccco1 6780463 VDECLMLMWGMCPJ-LICLKQGHSA-N 339.311 2.732 50 40 EFGB CC1(CC(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)OCCO1 408950766 HOKWZPDQNULUKV-YBFXNURJSA-N 332.331 2.689 50 40 EFGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cn2ccc3ccccc3c2n1 525997 YGERYYKGJZEUGN-GIJQJNRQSA-N 349.306 2.753 50 40 EFGB CCNc1c(NS(=O)(=O)CCCCl)c(=O)oc2ccccc12 7363324 BKHCXGZTSIKRLM-UHFFFAOYSA-N 344.820 2.595 50 40 EFGB O=C(N/N=C\c1ccc2c(c1)OCO2)c1ccc(Br)cc1 33296516 NNWZSCVMHJCCPN-IUXPMGMMSA-N 347.168 2.942 50 40 EFGB N#CC1=C[C@H](Br)[C@]23C[C@]12[C@@H](Br)C=C3C#N 100484424 UIZAZOJTTAAYEA-UKKRHICBSA-N 325.991 2.817 50 40 EFGB CCC/C(=N\NC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1 14922071 PNQGGVPYSXEGEZ-OQKWZONESA-N 341.386 2.876 50 40 EFGB CCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1 143209 UCGGXSSWQOUHHR-UHFFFAOYSA-N 345.786 2.763 50 40 EFGB COc1cc(/C=N/NC(=O)CNc2ccccc2)cc(Cl)c1O 7009001 ODGKMGOHNSMIHY-DJKKODMXSA-N 333.775 2.616 50 40 EFGB CCCOc1ccc(C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 20197267 VEMIKIWHWFKTSY-WOJGMQOQSA-N 343.339 2.853 50 40 EFGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OC 408964585 CUZAEUDNMUPJHC-SRZZPIQSSA-N 341.342 2.869 50 40 EFGB C/C(=N\NC(=O)CC1(C)SCCS1)c1ccc(O)cc1O 409253007 AHMPGJVWNYDWMB-OQLLNIDSSA-N 326.443 2.524 50 40 EFGB COc1ccc(NC(=O)/C(C#N)=C(\N)C(Cl)(Cl)Cl)cc1 100361010 CXTJUFCCRBBLIA-KTKRTIGZSA-N 334.590 2.740 50 40 EFGB CC(=O)[C@@H](Br)c1ccc(Cl)c(S(C)(=O)=O)c1 77011479 GDGJVTOCEYPSKP-SNVBAGLBSA-N 325.611 2.769 50 40 EFGB O=C(NCc1ccccc1)C(=O)N/N=C/c1cccc2ccccc12 3057709 JJRIYXARQTXEDB-HYARGMPZSA-N 331.375 2.606 50 40 EFGB CC1=CC(=O)[C@@](C)(Cl)[C@H](Cl)/C1=N\S(=O)(=O)c1ccccc1 16779895 UHWRYZLXKOEAKV-BZDXGLJRSA-N 346.235 2.950 50 40 EFGB CCCCN1C(=O)/C(=N/NC(=O)c2ccccc2O)c2ccccc21 16805046 KQTOAGOSCYOPIO-LVZFUZTISA-N 337.379 2.673 50 40 EFGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(N2CCCC2)cc1 408676157 GHHSERDIJMIENI-CPNJWEJPSA-N 338.367 2.959 50 40 EFGB Cc1ccc(SCCC(=O)NN=C2C(=O)Nc3ccccc32)cc1 409136273 YGJCMMIIGPWMMS-UHFFFAOYSA-N 339.420 2.950 50 40 EFGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cccc(C(F)(F)F)c1 40933146 ICVGXAFFRZOILS-REZTVBANSA-N 327.218 2.971 50 40 EFGB Cc1cccc(O[C@H](C)C(=O)N/N=C2/CCCc3c2cnn3C)c1C 84219104 SOHBMLIWNWHQQC-VDVBZYJVSA-N 340.427 2.661 50 40 EFGB CC(C)(C)OC(=O)N1[C@@H](CI)COC1(C)C 32629074 RAGBRZVZDZOFAI-QMMMGPOBSA-N 341.189 2.793 50 40 EFGB biogenic,in-vitro Cc1c(P(c2ccccc2)c2ccccc2)n2ccccc2[n+]1C 102141540 LTMKDQBGBBPKHC-UHFFFAOYSA-N 331.379 2.830 50 40 EFGB CC(C)NC(=O)CC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 58914810 MPOFYRCMEWXYOZ-VXLYETTFSA-N 347.802 2.965 50 40 EFGB O=C(NNC(=O)c1ccccn1)Nc1ccc(Cl)c(Cl)c1 4143285 DDCHCGCJISXCLW-UHFFFAOYSA-N 325.155 2.855 50 40 EFGB COc1ccc(CC(=O)N/N=C\c2cc(OC)c(OC)cc2C)cc1 408549762 YNIDKKXDNICTRI-NDENLUEZSA-N 342.395 2.714 50 40 EFGB CN(C[C@@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)CCl 79392649 JWCFVNKIKZBAKK-HNNXBMFYSA-N 338.835 2.875 50 40 EFGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)ccc1O 581728 XKMBFJOXSFBGEX-YBFXNURJSA-N 344.367 2.572 50 40 EFGB O=C(Cc1ccccc1)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 3101586 WNKKPTKRKOVAJR-RQZCQDPDSA-N 333.731 2.647 50 40 EFGB COC(=O)COc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1 8092098 JZYLQUCODYGFOE-VXLYETTFSA-N 346.770 2.656 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2ccc(C)c(C)c2)cc1O 530243 ARECCZFGGRHWEB-VXLYETTFSA-N 328.368 2.547 50 40 EFGB Cc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c(C)s1 12506521 CEMSBFAMCCBYPN-UHFFFAOYSA-N 340.408 2.830 50 40 EFGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc([N+](=O)[O-])ccc1Cl 2500723 DUXRWCAYEDSCKM-CQSZACIVSA-N 333.731 2.919 50 40 EFGB O=C(Cc1cccs1)NNC(=O)c1ccc(C(F)(F)F)cc1 4680735 YTVBDCQSYHRYLI-UHFFFAOYSA-N 328.315 2.771 50 40 EFGB N#C/C(=C\c1cccc(OCC(=O)O)c1)C(=O)Nc1ccccc1F 408805287 FVTHVEMVAHMVNI-MDWZMJQESA-N 340.310 2.835 50 40 EFGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(C)=O)c2C)cc1 5585797 SOEKWMOHFVSJRT-YBFXNURJSA-N 327.384 2.741 50 40 EFGB C/C(CC(=O)Nc1ccc(F)cc1F)=N\NC(=O)c1ccc(O)cc1 15133490 CPKDAMAQSCPQRU-UFFVCSGVSA-N 347.321 2.805 50 40 EFGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccc(C)cc1 494598 FIFLWKSVDBEXSG-AWEZNQCLSA-N 332.787 2.859 50 40 EFGB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)c1ccco1 7539567 HUXOPNBJVCETFF-GFCCVEGCSA-N 330.384 2.806 50 40 EFGB N#C/C(C(=O)CSc1cccc[n+]1[O-])=C1\Nc2ccccc2S1 3222834 WGVQAZRASKWJBD-WJDWOHSUSA-N 341.417 2.934 50 40 EFGB O=C(CCC(=O)c1ccc2c(c1)OCCO2)NNc1ccc(F)cc1 45970159 HRXRRNNWCAUKOD-UHFFFAOYSA-N 344.342 2.703 50 40 EFGB O=C(NNC(=O)C1CC1)c1cn(-c2ccccc2)nc1-c1ccccc1 14244387 IVOYJKNEWRRKOZ-UHFFFAOYSA-N 346.390 2.710 50 40 EFGB CCc1ccc(-c2cc(C(=O)NN)nn2-c2ccc(OC)cc2)cc1 59472501 DWRLMKQQHOWTTK-UHFFFAOYSA-N 336.395 2.714 50 40 EFGB CCC(CC)=NNC(=O)C(=O)Nc1ccc(Br)cc1 59515741 CZWHRFWOMJQNGK-UHFFFAOYSA-N 326.194 2.680 50 40 EFGB C/C(=N\NC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)s1 5163661 CTFJWBYGWBACIN-DJKKODMXSA-N 346.799 2.752 50 40 EFGB Cc1ccccc1NCC(=O)N/N=C/C=C/c1ccc2c(c1)OCO2 13942929 VFQKMGDFOHNTBV-RQVUTRMESA-N 337.379 2.951 50 40 EFGB COC(=O)COc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc1 408871250 YMAGBIGFAWAOLL-GDZOKYCISA-N 344.411 2.515 50 40 EFGB COc1ccc(C(=O)n2cc(C(=O)NN)c3ccccc32)cc1Cl 216958981 XMHFERINTSQCAI-UHFFFAOYSA-N 343.770 2.595 50 40 EFGB CN(C(=O)CCl)[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 79392660 RKVBHPCFXVMRBC-GJZGRUSLSA-N 338.835 2.921 50 40 EFGB CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC 555585 DHIMHGSPBKCEHL-QGZVFWFLSA-N 340.379 2.909 50 40 EFGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C[C@@H]1C1CC1 19203632 CQTYXSGRDPSVHK-ZBFHGGJFSA-N 333.351 2.878 50 40 EFGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])s1 491577 WUNUBEJCQCOMSS-LZYBPNLTSA-N 333.369 2.802 50 40 EFGB Cc1nc([N+](=O)[O-])c(SC[C@H](O)CCl)n1Cc1ccccc1 227185 ZXIUPKJAIQGOLV-GFCCVEGCSA-N 341.820 2.840 50 40 EFGB CCc1cc2ccccc2nc1SCC(=O)NNC(=O)C(C)C 4849228 LZVXPHVJNNJAET-UHFFFAOYSA-N 331.441 2.693 50 40 EFGB Cc1cnc(NC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)s1 106251854 MJKQPQBEEFMCCG-UHFFFAOYSA-N 344.318 2.937 50 40 EFGB O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)Nc1ccccc1F 12548099 GQNVUTVYDOBNSE-UHFFFAOYSA-N 339.330 2.682 50 40 EFGB CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(B(O)O)c(F)ncc21 953107776 PVUJCANRUVVUHU-UHFFFAOYSA-N 336.292 2.879 50 40 EFGB CCOc1cc(Br)c(/C=N/NC(C)=O)cc1OCC 563778 VVAZAGSHLGEKQD-OVCLIPMQSA-N 329.194 2.717 50 40 EFGB COc1cc2c(cc1OC(C)=O)C(=O)[C@H](Br)CCC2 5369164 ZDUZWQUVDVEEOT-LLVKDONJSA-N 327.174 2.903 50 40 EFGB COc1ccc(N[C@@H]2SC(=O)N(CCBr)C2=O)cc1 12113026 VCQJVPWQWDZIGS-SNVBAGLBSA-N 345.218 2.524 50 40 EFGB CC(=O)N1[C@H](c2ccccc2)C(C#N)=C(O)N1c1nc(C)cc(C)n1 17070594 XQKRZNVXHNWUSA-MRXNPFEDSA-N 335.367 2.711 50 40 EFGB COC(=O)/C(C#N)=C(\SC)C1=C([C@H](C#N)C(=O)OC)CCCCC1 5526255 WZMCMQDFQFPAQU-YCPJBFQXSA-N 348.424 2.874 50 40 EFGB Cc1ccc(OCC(=O)N/N=C/c2c(C)cc(O)c(C)c2O)cc1 58839 GAXHYXPTSSQBNF-DJKKODMXSA-N 328.368 2.552 50 40 EFGB Cc1cc2c(c(=O)o1)[C@H](c1ccc(OC(F)F)cc1)C(C#N)=C(N)O2 67062 OSPNQBTUIOZZKO-CYBMUJFWSA-N 346.289 2.768 50 40 EFGB Cc1ccc(NCC(=O)N/N=C/c2ccc(C)c([N+](=O)[O-])c2)cc1 7009358 XIMSWKPFYRDKMJ-VXLYETTFSA-N 326.356 2.774 50 40 EFGB CCOC(=O)N/N=C/c1ccc(OCc2cn3ccccc3n2)cc1 8376806 MUNATKVOOTWIDZ-YBFXNURJSA-N 338.367 2.993 50 40 EFGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(N)=O)cc2Cl)cc1 408881440 LCRVHIFQQNFRBG-DJKKODMXSA-N 347.758 2.570 50 40 EFGB CC(C)Oc1ccc(C(=O)n2cc(C(=O)NN)c3ccccc32)cc1 216958018 LWZXSSXISFULKR-UHFFFAOYSA-N 337.379 2.721 50 40 EFGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OC)cc1OC 6355558 MTMWEOPNNRCDKZ-UNOMPAQXSA-N 328.368 2.866 50 40 EFGB Cc1ccccc1OCCC(=O)N/N=c1/sc2ccccc2n1C 3375439 NBSZSWXURLWAKC-CZIZESTLSA-N 341.436 2.949 50 40 EFGB C/C(CCC(=O)O)=N\NC(=O)COc1ccc(Cl)cc1Cl 5217775 XQPRMLRTRGGGKN-LZYBPNLTSA-N 333.171 2.729 50 40 EFGB N[C@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1cccc2ccccc12 1576698 ADVXAPOTWUUMTF-PPRFWAEMSA-N 333.391 2.566 50 40 EFGB O=C(N/N=C/c1ccccc1OC(F)F)c1ccc2c(c1)OCO2 3383463 FDDSGLLNWQTUPS-UFWORHAWSA-N 334.278 2.781 50 40 EFGB COc1ccc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)c(OC)c1 409385341 HSPUJSWYTSRUKQ-DHDCSXOGSA-N 325.368 2.799 50 40 EFGB CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1O 566403 GPYDYFVZYTXMHU-VXLYETTFSA-N 348.786 2.973 50 40 EFGB COc1ccccc1NC(=O)Cc1csc(NC(=O)CCl)n1 12493621 VLICTRDJGFYHDM-UHFFFAOYSA-N 339.804 2.510 50 40 EFGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(N)=O)cc1 33408344 KXJGGEWICFGDOA-PTNGSMBKSA-N 344.374 2.940 50 40 EFGB CCC/C(=N/NC(=O)c1nc2nc(C)cc(C)n2n1)c1ccccc1 4812717 OEEUEONJPWXQAC-QNGOZBTKSA-N 336.399 2.675 50 40 EFGB CN(NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1ccccc1 58382133 QHGRVGQSKUZXAV-KRWDZBQOSA-N 349.434 2.696 50 40 EFGB O=C(Cc1ccccc1)N/N=C/c1cccn1-c1ccc(C(=O)O)cc1 4747616 KJMRHIKUTGVLPK-KGENOOAVSA-N 347.374 2.868 50 40 EFGB COc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccc(O)cc1)OCO2 33618371 JOPGZFIFWUJGTO-SDQBBNPISA-N 338.319 2.675 50 40 EFGB N#C/C(=C/c1ccc(C(=O)O)cc1)C(=O)Nc1cccc(C(=O)O)c1 33422173 PIPWCROLKIKGMB-ZSOIEALJSA-N 336.303 2.629 50 40 EFGB COc1ccc(OC)c(/C=N/NC(=O)COc2ccccc2C)c1 5422439 JTXXGWLSTDVQAQ-YBFXNURJSA-N 328.368 2.541 50 40 EFGB O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)c3cccnc3)o2)c1 345090 OGLMZOJADQEBTA-RGVLZGJSSA-N 335.319 2.804 50 40 EFGB Cc1cccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1C 565491 FQMXYJIODJQKPI-VCHYOVAHSA-N 327.340 2.741 50 40 EFGB CC(C)(C)OC(=O)NNC(=O)c1cc(Cl)c2c(c1)OCCCO2 61475681 RISDSBVMUKYBAD-UHFFFAOYSA-N 342.779 2.671 50 40 EFGB Cc1cc(C(=O)NNC(=O)c2cccn2Cc2cccs2)c(C)o1 72272804 IXIVLXWXIDDAAN-UHFFFAOYSA-N 343.408 2.883 50 40 EFGB COc1ccc(NC(=O)C(=O)NN=C2CCCCCCC2)c(OC)c1 59515791 QKVIARGGHVUYEB-UHFFFAOYSA-N 347.415 2.859 50 40 EFGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)cc1 7068626 FIHGHJIRAQZTHG-NVNXTCNLSA-N 336.347 2.647 50 40 EFGB Cc1ccc(N2C[C@H](C(=O)N/N=C\c3sccc3C)CC2=O)cc1 13142640 AGHJQXVGJCDFDT-SAGYFLTASA-N 341.436 2.868 50 40 EFGB CC(=O)N1[C@H](C(=O)NNc2ccccc2)CS[C@@H]1c1ccccc1 1643133 BLKAUWDHKQFPLR-FUHWJXTLSA-N 341.436 2.792 50 40 EFGB COC(=O)COc1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc1 408871244 YMAGBIGFAWAOLL-DWKWTICRSA-N 344.411 2.515 50 40 EFGB O=C(OCc1ccccc1)N1CC(CI)C1 306997107 VCAFQWMLGHDLHW-UHFFFAOYSA-N 331.153 2.690 50 40 EFGB Cc1cc(=O)c(C(=O)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)c[nH]1 585127950 NPVDYCZBJRADTP-CYBMUJFWSA-N 336.508 2.920 50 40 EFGB COc1ccc(C(=O)N/N=C/c2cccc(OC3CSC3)c2)cc1 59472895 CUSWKKYPTRZBEB-VXLYETTFSA-N 342.420 2.953 50 40 EFGB O=C(Cc1cccc2ccccc12)NNC(=O)NC(C1CC1)C1CC1 45437728 DQZZXAQKGBHHRH-UHFFFAOYSA-N 337.423 2.901 50 40 EFGB Cc1cc(O)nc(Sc2ccc([N+](=O)[O-])cc2C=C(C#N)C#N)n1 409100152 STWXBOHGUUFBLR-UHFFFAOYSA-N 339.336 2.981 50 40 EFGB COc1cccc(C(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)c1 5381952 DGXWMDSUGSMAGZ-XDHOZWIPSA-N 328.368 2.866 50 40 EFGB Cc1cc(C)c([N+](=O)[O-])c(C)c1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21 2843450 OWLISYQDZDLOAV-AWEZNQCLSA-N 339.355 2.770 50 40 EFGB CC(C)(C)OC(=O)N/N=C/c1ccc(I)o1 4600120 INXWUVNRFZEDIU-WUXMJOGZSA-N 336.129 2.743 50 40 EFGB N#CCC(=O)N/N=C/c1cccn1-c1ccc(Br)cc1 59678648 ZSYZQPQWHJCPAR-LICLKQGHSA-N 331.173 2.604 50 40 EFGB CCOc1ccc(/C=N/NC(=O)CNc2ccc(C)cc2)cc1OC 12364045 JFBXFVYTBYUQIK-CIAFOILYSA-N 341.411 2.965 50 40 EFGB COc1cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)ccc1O 59720874 KTDZDYLHWURDEY-KEBDBYFISA-N 327.384 2.580 50 40 EFGB N[C@H](CCCCCP(=O)(c1ccccc1)c1ccccc1)C(=O)O 2316101 GOAPNQZJEWYVEH-GOSISDBHSA-N 345.379 2.973 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2)cc1OC 260044 GUFMVTHJYUSUGO-YBFXNURJSA-N 328.368 2.541 50 40 EFGB O=C(O)COc1cccc(/C=N/NC(=O)c2cccc(Cl)c2)c1 5632750 MYEOEIAUEBRQMN-GIJQJNRQSA-N 332.743 2.567 50 40 EFGB CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1cc(C)cc(C)c1 59101433 DEMLMLTXOAITBG-UDWIEESQSA-N 339.395 2.791 50 40 EFGB CC(C)[C@H](NC(=O)Cc1cccs1)C(=O)N/N=C/c1ccccc1 3766154 BOCODLODJVBYOK-DAQNXSASSA-N 343.452 2.582 50 40 EFGB Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1 6382606 VSHXHSCUVSMUNW-BAPRJRNISA-N 336.395 2.587 50 40 EFGB Cc1ccc(C(=O)N/N=C2\C(=O)N(C)c3ccccc32)c(Cl)c1 9190619 ITZJRPVOOAYKOB-CYVLTUHYSA-N 327.771 2.759 50 40 EFGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])c(O)cc1O 408745170 PQTOUKYOGBYOHN-SDQBBNPISA-N 339.307 2.860 50 40 EFGB O=S1(=O)C[C@H](Cl)[C@H](NC(c2ccccc2)c2ccccc2)C1 575419570 SGCCJRUSCMPECT-JKSUJKDBSA-N 335.856 2.770 50 40 EFGB O=C(N/N=C/c1ccc(Br)cc1)[C@H](O)c1ccccc1 3024912 ZKUCDFJDAPTQRJ-NGWPFTMJSA-N 333.185 2.633 50 40 EFGB COc1ccc(/C(C)=N\NC(=O)c2cccc([N+](=O)[O-])c2)c(OC)c1 13305592 FTOPXHYYWCJXKD-WQRHYEAKSA-N 343.339 2.766 50 40 EFGB COc1ccccc1C(=O)NNC(=O)c1ccc(Br)cc1 290231 BFXAIJNTCHJFEH-UHFFFAOYSA-N 349.184 2.533 50 40 EFGB N[C@H](CCCc1ccc(N(CCCl)CCCl)cc1)C(=O)O 1763088 YSSSVODKUJTKAF-CQSZACIVSA-N 333.259 2.705 50 40 EFGB CCOc1cccc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2OC)c1 408586018 AJWWJGYGSTWOBL-WQRHYEAKSA-N 343.339 2.766 50 40 EFGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc([N+](=O)[O-])c1O 37390773 VMRRQULNTQESIW-VCHYOVAHSA-N 343.339 2.771 50 40 EFGB O=C(Oc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 198484667 XXDLVLISGVGLJK-GFCCVEGCSA-N 326.308 2.553 50 40 EFGB C/C(=N\NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccc(C)cc1 4405550 UNEBDXLGWAAGLO-FYJGNVAPSA-N 343.814 2.919 50 40 EFGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc([N+](=O)[O-])o1 261412 CBXUTJMCUCDJGD-VXLYETTFSA-N 338.323 2.903 50 40 EFGB O=C(N/N=C/c1ccc(N2CCCC2)o1)c1cccc([N+](=O)[O-])c1 59138217 CICUWADKPGJLEZ-GZTJUZNOSA-N 328.328 2.552 50 40 EFGB Cc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2)c(C)c1 3236958 KTEUOIDFLNLVID-KGENOOAVSA-N 337.423 2.904 50 40 EFGB COc1c(O)ccc(/C=N\NC(=O)c2ccc(Cl)cc2)c1[N+](=O)[O-] 4775410 MQCFNDFBQNWWBM-IUXPMGMMSA-N 349.730 2.726 50 40 EFGB N#CC1=C(N)Nc2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1 4813204 HUNFVSFPWDLSTR-HNNXBMFYSA-N 332.323 2.653 50 40 EFGB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc2cccnc12 15974899 SHZSSADKVQINHU-ZICWZVMQSA-N 342.399 2.598 50 40 EFGB CCOc1cc2ccccc2cc1C(=O)NNC(=O)c1ccccn1 9336105 NUDKECSLVYIOOO-UHFFFAOYSA-N 335.363 2.708 50 40 EFGB CC1(C)[C@@H](O)[C@@]2(Br)CC[C@]1(CC#N)[C@@H]2Br 85398933 SNSPGLYSSKESNT-GISOBZBCSA-N 337.055 2.978 50 40 EFGB CC1=CC(=O)[C@H](Cl)[C@H](Cl)/C1=N\S(=O)(=O)c1ccccc1 4167629 GIZIGXWXHHNROK-OEEGZLJJSA-N 332.208 2.560 50 40 EFGB CNC(=O)/C(C#N)=C\c1cccn1-c1ccc(Br)cc1 5569909 HXXFPPAIIJCULX-LUAWRHEFSA-N 330.185 2.893 50 40 EFGB C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1cc(O)ccc1O 4534548 CEUFFZOXRRBCRY-VCHYOVAHSA-N 334.759 2.670 50 40 EFGB Cc1cnc(C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)cn1 30858666 KCGYLBMQUIDDTC-UHFFFAOYSA-N 344.440 2.580 50 40 EFGB CN(NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 31224436 OUOJQODDZTUWKT-UHFFFAOYSA-N 337.339 2.562 50 40 EFGB COc1ccc(C(=O)NNC(=O)CNc2ccccc2)c2ccccc12 8729385 VGALOXHOYDWSPV-UHFFFAOYSA-N 349.390 2.722 50 40 EFGB O=[P@](c1ccccc1)(c1nc2ccccc2s1)N1CCOCC1 3185872 TUTWZUUKVRUGBB-JOCHJYFZSA-N 344.376 2.857 50 40 EFGB COc1ccc([C@@H](Br)[C@H](Br)C(=O)O)cc1 6484495 MWJORQFVICKTJV-BDAKNGLRSA-N 337.995 2.979 50 40 EFGB in-vitro O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N/N=C/C1CCCCC1 59384083 BBCBZYOQUZFHLF-MHWRWJLKSA-N 334.332 2.728 50 40 EFGB CCN(CC)c1ccc(/C=N/NC(=O)CNC2CCCCC2)cc1 409377161 GIXYZKNXGTYOLV-KGENOOAVSA-N 330.476 2.905 50 40 EFGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 481934 MBSOHFWCHVPSTH-OAHLLOKOSA-N 333.322 2.885 50 40 EFGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)Cc1ccccc1 5730114 UZPQNNANJSYRQG-DEDYPNTBSA-N 334.379 2.579 50 40 EFGB COc1ccc(C(=O)NNC2=CC(=O)C[C@@H](c3ccco3)C2)cc1 408751530 UAWZYGPAKPDWPU-ZDUSSCGKSA-N 326.352 2.553 50 40 EFGB COc1cc(C)c(/C=N/NC(=O)c2cccc(N(C)C)c2)cc1OC 408548846 MAFLBOPJDCNAPZ-UDWIEESQSA-N 341.411 2.842 50 40 EFGB COC(=O)c1ccc(OCC(=O)N/N=C\c2ccccc2Cl)cc1 33325768 SDRWETJFTYIGTK-GRSHGNNSSA-N 346.770 2.656 50 40 EFGB Cc1cccc(O[C@@H](C)C(=O)N/N=C\c2ccc(N(C)C)cc2)c1 32109257 AGTQVAFLKQXZKB-HYTQYMIGSA-N 325.412 2.979 50 40 EFGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccnc2)C(C#N)=C(N)O1 5482494 BWUSQKASXDDKBT-KRWDZBQOSA-N 332.363 2.802 50 40 EFGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Br)o1 482752 LTLWUCUHVNLOPT-VGOFMYFVSA-N 338.117 2.714 50 40 EFGB CCn1c(C)nc2cc(C(=O)NNC(=O)C3CCCCC3)ccc21 2661805 KYZODRIMJWBKBN-UHFFFAOYSA-N 328.416 2.706 50 40 EFGB CCOc1ccccc1/C=N/NC(=O)c1c(C)nc2sccn12 59435656 BXRYBWSDSBRQNK-LICLKQGHSA-N 328.397 2.867 50 40 EFGB CN(C)c1ccc(/C=N/NC(=O)c2ccncc2)cc1Br 59426253 FIZAPNFSHAQFCJ-VCHYOVAHSA-N 347.216 2.674 50 40 EFGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1 59386513 GVFNJMMCLKWRAL-UDWIEESQSA-N 339.395 2.907 50 40 EFGB COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc([N+](=O)[O-])c1O 409044478 CRSIUBANARKHCP-UOERNUDTSA-N 347.371 2.585 50 40 EFGB N#Cc1ccc(/C=N\NC(=O)c2cc(Br)ccc2O)cc1 408971815 QNFGHUDLRSNCPR-NVMNQCDNSA-N 344.168 2.790 50 40 EFGB N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)c1[nH]nc(N)c1C#N 1505840665 NGCNAEQRBKQKPW-KPKJPENVSA-N 345.318 2.886 50 40 EFGB C/C(=N\NC(=O)CSCc1ccccc1)c1ccc(O)cc1O 409353290 IPLDOEDCHFLPMX-LDADJPATSA-N 330.409 2.871 50 40 EFGB C[C@@H](C(=O)N/N=C/c1ccc(F)s1)n1cc(Br)cn1 252481418 CKYUNNVFNCVAKT-ZKHZFVRRSA-N 345.197 2.558 50 40 EFGB COc1ccc(C(=O)[C@H](Cl)[C@@H](SCCCl)C(=O)O)cc1 5513622 LJFLRVNETZRAHB-CMPLNLGQSA-N 337.224 2.911 50 40 EFGB CCc1ccc(OCC(=O)NNC(=O)/C=C/c2cccs2)cc1 6419331 UPMUWCLPJNFBEV-MDZDMXLPSA-N 330.409 2.550 50 40 EFGB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)NNC(=O)c1ccccc1O)C2 102390353 GSZLSRGNXZHWBW-FVMIAERFSA-N 331.416 2.551 50 40 EFGB CN(C)/N=N\c1ccc(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])cc1 104189293 QQFXBPGVISSOCW-PJNNMMJDSA-N 340.343 2.919 50 40 EFGB COC(=O)NNC(=O)NCCC(c1ccccc1)c1ccccc1 24638007 PEJSYXPVZFJDRG-UHFFFAOYSA-N 327.384 2.779 50 40 EFGB CC(C)Oc1ccccc1/C=N/NC(=O)COc1ccc(C#N)cc1 3247765 OIHWWDFZZHDGDD-CIAFOILYSA-N 337.379 2.875 50 40 EFGB COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCC(C)C 3335081 OTAYFKKEPCFLAF-KEBDBYFISA-N 327.384 2.889 50 40 EFGB CC(C)CC[C@H](C[C@@H](C)O)C(=O)NNC(=S)Nc1ccccc1 13656027 URZRFPBVFCXZCC-ZIAGYGMSSA-N 337.489 2.828 50 40 EFGB CC(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 409017604 VHGUQBBECORVPK-RGVLZGJSSA-N 339.395 2.791 50 40 EFGB O=C(COc1ccccc1)N/N=C\c1ccc(Br)cc1 33296486 JMZIARLQEKJGBJ-YVLHZVERSA-N 333.185 2.978 50 40 EFGB Cc1ccc(S[C@H](C)C(=O)NNC(=O)c2cccc(O)c2)cc1 9604176 CFENONCTNYPGGF-GFCCVEGCSA-N 330.409 2.642 50 40 EFGB COc1cc(-c2cc3ccccc3oc2=O)c(Cl)cc1C(=O)NN 216935532 ZIXADQJAPVRYPI-UHFFFAOYSA-N 344.754 2.726 50 40 EFGB CCCCCCCCCC(=O)NNC(=S)NC[C@@H]1CCCO1 97941842 BARMOOVETWBQRQ-AWEZNQCLSA-N 329.510 2.801 50 40 EFGB Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(N(C)C)cc2)c1 81783 QSYOTRKZJDPXCY-UDWIEESQSA-N 325.412 2.899 50 40 EFGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2cccnc2)o1 8205843 MJCZSINIVRFKJY-CIAFOILYSA-N 349.346 2.892 50 40 EFGB CCC[C@@H](Br)C(=O)NCCC(=O)Nc1ccccc1 8733003 XRKLOWUYHHWRCP-GFCCVEGCSA-N 327.222 2.695 50 40 EFGB CC(C)NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCC#N 408782481 HKQKEPBYMWGJGB-GHXNOFRVSA-N 348.200 2.783 50 40 EFGB COc1ccc(OC)c(/C=N\NC(=O)COc2cccc(C)c2C)c1 30843225 HFOAQDTXHPCMIJ-JAIQZWGSSA-N 342.395 2.850 50 40 EFGB COc1ccc(O)c(/C=N/NC(=O)[C@@H](C)Nc2cccc(C)c2)c1 234285 OTIRQGUKERWETN-OTGIAGGSSA-N 327.384 2.660 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)c2cc(OC)cc(OC)c2)cc1 8339573 CRCHWNXDEWTHIY-XDHOZWIPSA-N 328.368 2.866 50 40 EFGB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccn1)C(C#N)=C(N)O2 43687 UTNLZACHEUVEQA-KRWDZBQOSA-N 329.363 2.794 50 40 EFGB Cc1ccc(SCC(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 8515544 HGEFLSYQZNOGQB-VCHYOVAHSA-N 328.393 2.936 50 40 EFGB Cc1cc(C)nc(NNC(=O)CCc2c(C)nn(CC(C)C)c2C)n1 12775988 FEBLXASJUPAPNG-UHFFFAOYSA-N 344.463 2.639 50 40 EFGB COc1cc2c(cc1/C=N\NC(=O)c1cccc(Cl)c1)OCO2 409069779 AEQFVJSYWJNDER-LSCVHKIXSA-N 332.743 2.841 50 40 EFGB CC[C@@H](C)NC(=O)C/C(C)=N/NC(=O)OCc1ccc(OC)cc1 5247708 MATWUUMDSXXRTA-MCMJHOFTSA-N 335.404 2.602 50 40 EFGB COc1ccc(/C=N/OCC(=O)N/N=C(\C)c2cccs2)cc1 5447274 CXDMUPSYBAUQIV-VZRGJMDUSA-N 331.397 2.648 50 40 EFGB COc1ccc(C(=O)N/N=C/c2cccc(Br)c2)c(O)c1 409393397 WWBVSRBGUSESCI-RQZCQDPDSA-N 349.184 2.927 50 40 EFGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(Cl)s1 408965565 IWMFYETTWHBTDI-CHHVJCJISA-N 339.760 2.839 50 40 EFGB CC(C)(C)OC(=O)N[C@@H](CBr)C(=O)OC1CCCC1 606241497 LCFNCGRUWOIDIH-JTQLQIEISA-N 336.226 2.760 50 40 EFGB Cc1c(C(=O)NNC(=O)c2ccco2)cnn1-c1ccc(Cl)cc1 12891400 XDSQOUVYGGECKG-UHFFFAOYSA-N 344.758 2.502 50 40 EFGB O=C(NNC(=O)c1nc(Cl)ccc1Cl)c1ccc(F)cc1 12936397 LOLHKSGVZAAGED-UHFFFAOYSA-N 328.130 2.602 50 40 EFGB Cc1cccc(C(=O)NNC2=CC(=O)C[C@H](c3ccco3)C2)c1O 408751522 SRZRSYGQZVTYNQ-GFCCVEGCSA-N 326.352 2.559 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)COc2ccccc2)cc1[N+](=O)[O-] 408526198 AYZVZWXEKNOWEP-LDADJPATSA-N 343.339 2.523 50 40 EFGB O=S(=O)(O)c1cccc(CCBr)c1C(F)(F)F 228953618 XRDVGBIUBUBYJP-UHFFFAOYSA-N 333.125 2.890 50 40 EFGB COc1ccc(N[C@H]2SC(=O)N(CCBr)C2=O)cc1 12113027 VCQJVPWQWDZIGS-JTQLQIEISA-N 345.218 2.524 50 40 EFGB O=C(Cc1ccc(OC(F)(F)F)cc1)NNC(=O)c1cccs1 47935101 GLLBXZJZAPWLQP-UHFFFAOYSA-N 344.314 2.650 50 40 EFGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCC#N)c(Br)c1 408770997 DAPOVFKXGJEIIR-GHXNOFRVSA-N 348.200 2.783 50 40 EFGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])c(O)cc2O)c1 408744323 DXMWEJBFFTXADU-SDQBBNPISA-N 339.307 2.860 50 40 EFGB C/C(=N/NC(=O)CSc1nc2ccccc2n1C)c1ccco1 55628 RDDUREABGITKAC-WQRHYEAKSA-N 328.397 2.799 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2cccc(C)c2)c(OC)c1 135231 JALROVUMXGLBFW-YBFXNURJSA-N 328.368 2.541 50 40 EFGB CC/C(=N\NC(=O)c1ccccc1O)c1ccc(OC)c(OC)c1 6377928 SCAFXWYVCODJGC-XMHGGMMESA-N 328.368 2.954 50 40 EFGB Cc1cccc(O[C@H](C)C(=O)NN=Cc2ccc3c(c2)OCO3)c1 8955301 PQFYZDDWOCBJBU-CYBMUJFWSA-N 326.352 2.641 50 40 EFGB Cc1cc(C)nc(NNC(=O)c2ccc(OC(F)(F)F)cc2)n1 11334005 RSBJBRKVLRKWRA-UHFFFAOYSA-N 326.278 2.749 50 40 EFGB CCCCC(O)(CCCC)C(=O)N/N=C1\C(=O)Nc2ccccc21 5244417 IWVLTUCYTJQCJA-UHFFFAOYSA-N 331.416 2.571 50 40 EFGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(N)=O)c2C)cc1 32138818 XGOIJYPIJULKME-YBEGLDIGSA-N 337.379 2.663 50 40 EFGB CCCOc1ccc(C(=O)n2cc(C(=O)NN)c3ccccc32)cc1 216958392 VQLQVGKIQISXID-UHFFFAOYSA-N 337.379 2.722 50 40 EFGB COC(=O)CS[C@H](NC(=O)c1ccc(C)cc1)C(Cl)Cl 98049003 AMURTCHSAWZBBY-ZDUSSCGKSA-N 336.240 2.761 50 40 EFGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1O 566575 PIYAVFIGYQWFAQ-VCHYOVAHSA-N 343.339 2.771 50 40 EFGB O=C(N/N=C/c1cccnc1)[C@H]1COc2cc3ccccc3cc2O1 435134 MIIGLTHHSZPJQO-PGNNWUFWSA-N 333.347 2.525 50 40 EFGB CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccsc4)[C@@H]3[C@H]1CC2 101507007 FJJCTRCHQLJSEN-VZEFYGNVSA-N 347.447 2.634 50 40 EFGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)/C=C/c2ccco2)c1 1794847 BXLMDUJJHNKSPM-VQHVLOKHSA-N 342.395 2.951 50 40 EFGB O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)NC1CCCC1 59515561 WTZZYTHSMDPXFT-CAOOACKPSA-N 328.199 2.502 50 40 EFGB CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)ccc1OC 408728374 KOXAVWSWRRZWDZ-DEDYPNTBSA-N 342.395 2.795 50 40 EFGB COc1cc([C@H]2Nc3nc4ccccc4n3C(N)=C2C#N)ccc1O 20086207 HUMSEQTYTAPZDK-MRXNPFEDSA-N 333.351 2.568 50 40 EFGB C/C(CC(=O)NCc1ccco1)=N\NC(=O)c1ccc(Cl)cc1 100510155 PNXJRKBLOWMQFS-YBFXNURJSA-N 333.775 2.745 50 40 EFGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)c(C)n1C 408786414 JNJRTCKYZAKHJW-MTRKFGIMSA-N 344.422 2.850 50 40 EFGB O=C(NNc1ccccc1[N+](=O)[O-])C1=NO[C@@H](c2ccccc2)C1 53061341 UORNALPTKIQNBR-OAHLLOKOSA-N 326.312 2.556 50 40 EFGB Cc1cc(C)n2nc(C(=O)N/N=C/c3ccc4ccccc4c3)nc2n1 131714 DEKKVYYVZKZLJM-RGVLZGJSSA-N 344.378 2.658 50 40 EFGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1O 15231268 VVKSTAFPTAASJD-YHYXMXQVSA-N 339.189 2.549 50 40 EFGB CCOC(=O)/C(C#N)=C/c1ccc(I)cc1 207252618 DSQODMDMTCCHQS-JXMROGBWSA-N 327.121 2.761 50 40 EFGB Cn1cccc1/C=N\NC(=O)[C@H]1COc2ccc(C(C)(C)C)cc2O1 31853542 SYDRAPDZDBQQQL-LELXDKESSA-N 341.411 2.613 50 40 EFGB C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C#N 70665759 JHNKMSMCNITKIH-VTPPTGSRSA-N 327.424 2.952 50 40 EFGB biogenic O=C(COc1ccccc1)N/N=C/c1cc2c(cc1Cl)OCO2 408526518 CIPMNWDIQWQQTJ-QGMBQPNBSA-N 332.743 2.598 50 40 EFGB COc1nn(-c2ccccc2)cc1/C=C(\C#N)C(=O)Nc1ccccn1 67240429 QLDYCWKFADKFKY-SDNWHVSQSA-N 345.362 2.822 50 40 EFGB Cc1ccn(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)n1 2755290 ZAZQUVDEDGRAGH-FYJGNVAPSA-N 348.406 2.921 50 40 EFGB CCn1c(C)nc2cc(C(=O)NNC(=O)Nc3ccccc3)ccc21 3207189 FYFSGFAQIFABNG-UHFFFAOYSA-N 337.383 2.831 50 40 EFGB COc1ccc(S[C@H](C)C(=O)NNc2nc(C)cc(C)n2)cc1 44974581 LXFYYRUGSYTGAA-GFCCVEGCSA-N 332.429 2.726 50 40 EFGB CN(C)c1ccc(/C=C(\C#N)C(=O)OCC(=O)OC(C)(C)C)cc1 14675367 BUEULZHGGOTGMZ-GXDHUFHOSA-N 330.384 2.544 50 40 EFGB COc1ccccc1/C(C)=N/NC(=O)CN1CCCc2ccccc21 8124718 SJZWESKZGQNMCJ-RCCKNPSSSA-N 337.423 2.988 50 40 EFGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1 408802718 GMXOGYUCXOGPDI-QGOAFFKASA-N 334.375 2.878 50 40 EFGB CC(C)(C)c1ccc(C(=O)NCC(=O)N/N=C/c2cccs2)cc1 4079628 NTLDDWVZKSRAEE-RGVLZGJSSA-N 343.452 2.926 50 40 EFGB Cc1ccc(C(=O)NNC(=O)c2cnn(-c3cccc(C)c3)c2C)cc1 12868010 MMPJNIQMPOPGKR-UHFFFAOYSA-N 348.406 2.872 50 40 EFGB C/C(=N\NC(=O)COc1cccc(Br)c1)c1ccco1 5163149 SHXBMXFDBAWHKH-MHWRWJLKSA-N 337.173 2.961 50 40 EFGB Cc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 23358603 PWLQQXLFCYZFMA-KGENOOAVSA-N 337.423 2.591 50 40 EFGB O=C(NNC1=C(C(=O)C(F)(F)F)CCCCC1)c1ccccc1O 59488999 OZPNGDKFOGGJJU-UHFFFAOYSA-N 342.317 2.976 50 40 EFGB O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1cccc(Cl)c1 409014477 PNSRDNYJJYLDCT-WOJGMQOQSA-N 333.775 2.534 50 40 EFGB C[C@@H](Sc1nc2ccccc2s1)C(=O)NN=C1CCN(C)CC1 55048512 WSJQJZOSPJSCST-LLVKDONJSA-N 348.497 2.975 50 40 EFGB C=CCOC(=O)/C(C#N)=C/c1cc(Br)c2c(c1)OCO2 28700091 WFXQBXHYDGDSFT-ONNFQVAWSA-N 336.141 2.814 50 40 EFGB COc1ccccc1/C=C\C=N\NC(=O)CCn1nnc2ccccc21 13496240 HICHQUGAMVZNPL-GDQVSMCDSA-N 349.394 2.645 50 40 EFGB Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)c3cccs3)cc2)n1 6509132 IOXOFSIHEIVWFP-UHFFFAOYSA-N 340.408 2.625 50 40 EFGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1ccsc1 4742304 RBTNMVVHXBCEEZ-ZDUSSCGKSA-N 334.356 2.889 50 40 EFGB COc1cc(/C=C(/C#N)S(C)(=O)=O)cc(Cl)c1OC(F)F 96021447 KRKCXXNUDSGAOG-BAQGIRSFSA-N 337.731 2.859 50 40 EFGB Cc1ccc(/C=N/NC(=O)CC2(C)SCCS2)cc1[N+](=O)[O-] 409223505 IDPJAWZCNWLPPB-OQLLNIDSSA-N 339.442 2.940 50 40 EFGB O=C(O)CCC(=O)Nc1ccc(C(=O)NN=C2CCCCC2)cc1 138674 KODGCCXJPSLZFU-UHFFFAOYSA-N 331.372 2.540 50 40 EFGB O=C(Cl)[C@H](Br)CC[C@@H](Br)C(=O)Cl 100051413 UMIRTQXSYVCPKO-QWWZWVQMSA-N 340.826 2.824 50 40 EFGB C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)C1C(=O)c2ccccc2C1=O 100505473 DIUYJGLUCJWLBP-JDDWRULVSA-N 346.386 2.978 50 40 EFGB Cc1n[nH]c2c1[C@H](c1ccc(Br)s1)C(C#N)=C(N)O2 5818143 HZYDTJWRKAYMHD-JTQLQIEISA-N 337.202 2.760 50 40 EFGB NNC(=O)c1ccc(OCc2ccccc2F)c(Br)c1 216819500 QHZDQJFNVOAVEP-UHFFFAOYSA-N 339.164 2.771 50 40 EFGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccccn1 361539 HOIGLIPBVHQWPV-RQZCQDPDSA-N 334.173 2.617 50 40 EFGB CCOc1ccc2ccccc2c1/C=N\NC(=O)CC1(C)OCCO1 28503381 PLMXENZVCZGCHM-MOSHPQCFSA-N 342.395 2.842 50 40 EFGB Cc1ccccc1OCC(=O)NNC1=C(C(=O)C(F)(F)F)CCC1 5027597 CFYXZTLSJMSBOF-UHFFFAOYSA-N 342.317 2.564 50 40 EFGB COc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OC)c1OC 7516698 VEQHPCJGMYFFJM-KRWDZBQOSA-N 338.363 2.931 50 40 EFGB CCOC(=O)c1ccc(NC(=O)C(=O)NN=C2CCCCCC2)cc1 59433830 HGEPDUCAFCCFJK-UHFFFAOYSA-N 345.399 2.628 50 40 EFGB Cc1ccccc1N1C(=O)CS/C1=C(/C#N)C(=O)N1CCCCC1 3318654 LHUSTXRZELPUNI-JXAWBTAJSA-N 341.436 2.823 50 40 EFGB Cc1ccccc1O[C@@H](C)C(=O)N/N=C/c1ccc(C(=O)O)cc1 4544366 QSNRVCHTOUJFQQ-MDBUFAAASA-N 326.352 2.611 50 40 EFGB COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1O 4739969 NGZXAOHWYHTFNF-VXLYETTFSA-N 340.335 2.920 50 40 EFGB Cc1ccc(N[C@H]2SC(=O)N(CCBr)C2=O)cc1 12113056 CQEJBMXEUSXPNY-JTQLQIEISA-N 329.219 2.823 50 40 EFGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 3474944 FEXNQFSKDGQKTQ-REZTVBANSA-N 347.714 2.741 50 40 EFGB N[C@@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1cccc2ccccc12 1576700 ADVXAPOTWUUMTF-MEGCXXLRSA-N 333.391 2.566 50 40 EFGB C/C(CCc1ccccc1)=N\NC(=O)CCn1nnc2ccccc21 5288172 YKXQRSGHYHFOQH-HMMYKYKNSA-N 335.411 2.946 50 40 EFGB C/C(N)=C(/C#N)C(NC(=O)c1ccco1)(C(F)(F)F)C(F)(F)F 12362086 WQPMIXVPNZZFDS-VOTSOKGWSA-N 341.211 2.629 50 40 EFGB N#C/C(=C\c1cccn1-c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 409370585 AQMVYAQRNPSXIF-SDNWHVSQSA-N 336.351 2.915 50 40 EFGB C[C@@]1(C(=O)NNC(=O)Nc2ccc(Cl)cc2)C[C@@H]1Br 4823452 GDYXQRVVOKUKDM-JOYOIKCWSA-N 346.612 2.666 50 40 EFGB COC(=O)/C(C#N)=C\c1ccc(-c2ccc(OC)c([N+](=O)[O-])c2)o1 252483667 FGTWQRZYIYGDQO-XFFZJAGNSA-N 328.280 2.943 50 40 EFGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 5945781 VGNBVOGFVFWITJ-LZYBPNLTSA-N 348.702 2.920 50 40 EFGB COc1cc(/C=C/C(=O)NN)ccc1OC(=O)c1ccc(Cl)cc1 226365592 VUIIYKVMTNUFFS-YCRREMRBSA-N 346.770 2.571 50 40 EFGB CCOc1ccc(OC)cc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 58538 JLLCAIPGXONMIF-WOJGMQOQSA-N 343.339 2.766 50 40 EFGB COc1ccc(-c2cc(C(=O)N/N=C\c3ccc(O)cc3)[nH]n2)cc1 33089295 QLNUEIZHRBTKNO-ODLFYWEKSA-N 336.351 2.555 50 40 EFGB COc1ccc(C(=O)N/N=C/c2cn(C)c3ccccc23)c(OC)c1 6045090 JTOZFXVUKPZOBM-RGVLZGJSSA-N 337.379 2.959 50 40 EFGB O=c1c2ccccc2n2c(CCl)nnc2n1-c1ccc(F)cc1 15424616 OKNUDMAREOOZJE-UHFFFAOYSA-N 328.734 2.911 50 40 EFGB Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 51720 SCAFMTIQVPMSAN-FQEVSTJZSA-N 349.390 2.552 50 40 EFGB O=C(COc1ccccc1Cl)NNC(=O)c1ccc(Cl)cc1 568886 DCUBVRJBSOBSBL-UHFFFAOYSA-N 339.178 2.833 50 40 EFGB COC(=O)[C@]1(C(F)(F)F)C=C(C)N(c2ccccc2)C(N)=C1C#N 3103027 UJXYFWQFJXIWNL-HNNXBMFYSA-N 337.301 2.826 50 40 EFGB Cc1ccc(NCC(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)c(C)c1 57382126 SZZLXOTWWJNPAT-ARFHVFGLSA-N 329.444 2.689 50 40 EFGB CC1(C)[C@@H]2CC=C(/C=N/NC(=O)[C@@H]3COc4ccccc4O3)[C@@H]1C2 102412279 QBCILAIITWHPQZ-BXNLOGAYSA-N 326.396 2.921 50 40 EFGB C#CCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1Cl 4541097 OSUBUWMQPMPDRC-HNNXBMFYSA-N 340.770 2.602 50 40 EFGB Cc1cc(Br)cc(/C=N\NC(=O)c2ccc(N)cc2)c1O 13371685 SQFRRWGGTJIGIO-LSCVHKIXSA-N 348.200 2.809 50 40 EFGB O=C(N/N=C/c1cc(Br)ccc1O)c1ccccc1O 242795 OJYRTKAXLIHPGV-LZYBPNLTSA-N 335.157 2.624 50 40 EFGB COC(=O)[C@H]1C(O)=NC(SC)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 189572 OVUVFPKUNJCVCS-VXGBXAGGSA-N 347.352 2.536 50 40 EFGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)ccc1O 505856 PSTJAJHLGNBUBT-YBFXNURJSA-N 344.367 2.572 50 40 EFGB COc1ccc(OC)c(/C=N/NC(=O)CSc2ccccc2)c1 59165604 SXGZSGOWZHPYMT-WOJGMQOQSA-N 330.409 2.946 50 40 EFGB CC(C)N1CC=C2[C@H](C1)[C@H](c1ccccc1)C(C#N)=C(N)C2(C#N)C#N 36378123 UHGQDQCGBDOXBI-PKOBYXMFSA-N 343.434 2.820 50 40 EFGB Cc1cc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)no1 56442518 LBJLOMRRMXSEEO-UHFFFAOYSA-N 336.351 2.791 50 40 EFGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)O)cc1 6209961 XEODNXMVHDNNLB-MDWZMJQESA-N 337.291 2.839 50 40 EFGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 49999 MBFPIVAZVAPGQL-CYBMUJFWSA-N 338.285 2.960 50 40 EFGB N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccc(O)cc1)Nc1ccccc12 492345 MFNITGBDWDKGCZ-KRWDZBQOSA-N 327.347 2.851 50 40 EFGB N#CCC(=O)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 567443 LZNQWKPNEOGUTR-YBFXNURJSA-N 338.323 2.538 50 40 EFGB Cc1cc(C)nc(NNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)n1 22233216 BBTVJMUBPWMVNO-LBPRGKRZSA-N 334.807 2.966 50 40 EFGB O=C1OC(=O)N(C(=O)OCc2ccccc2)[C@H]1Cc1ccccc1 100118931 XGEVCUXPCGZQLQ-HNNXBMFYSA-N 325.320 2.913 50 40 EFGB O=C(CNC1CCCCC1)N/N=C/c1cccc(Br)c1 409385092 HKWRWKXHHUEDAG-VCHYOVAHSA-N 338.249 2.822 50 40 EFGB O=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1 6338210 PCNPPCLZFDGEGM-UHFFFAOYSA-N 326.249 2.919 50 40 EFGB CCc1c(C(=O)NNC(=O)CC(C)C)cnn1-c1ccc(C)cc1 32795788 SJBIXLOPWCOHDQ-UHFFFAOYSA-N 328.416 2.550 50 40 EFGB NNC(=O)c1cc(-c2ccccc2OCc2ccc(Cl)cc2)n[nH]1 35576333 RXQZWRATICLZJE-UHFFFAOYSA-N 342.786 2.913 50 40 EFGB C=CCOc1cccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c1 8107375 AICCERVMXMREJS-BAOGCXAUSA-N 338.363 2.542 50 40 EFGB COc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1C 8336388 BEVQOYGBBVDPTF-GIJQJNRQSA-N 344.440 2.653 50 40 EFGB COc1cc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1O 573508 UZEPWYMUYHRJQG-RDTXWAMCSA-N 346.390 2.994 50 40 EFGB Cc1cccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1O 4852609 FSAPHBFDBNMQHD-UHFFFAOYSA-N 328.412 2.678 50 40 EFGB C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 408599537 VWYOBYHWYPIIFW-WOJGMQOQSA-N 341.323 2.520 50 40 EFGB CCOC(=O)NNC(=O)c1ccccc1C(=O)c1ccc(C)c(C)c1 32909259 CSLCVRULSVGLPR-UHFFFAOYSA-N 340.379 2.925 50 40 EFGB N#CC(C(=O)COC(=O)c1ccc(C#N)cc1)=C1Nc2ccccc2N1 2639865 HSPWEJXFUZLDOG-UHFFFAOYSA-N 344.330 2.557 50 40 EFGB O=C(NNC(=S)NCCCc1ccccc1)c1ccc(F)cc1 408585321 DKTOTOKEWIPCNS-UHFFFAOYSA-N 331.416 2.567 50 40 EFGB O=C(Cc1ccc(Br)cc1)N/N=C\c1ccccc1O 13595247 XUJYHKSEORWESF-YVLHZVERSA-N 333.185 2.848 50 40 EFGB CC(=O)Nc1ccc(C(=O)C(F)(F)[C@H](F)Cl)c(NC(C)=O)c1 3015402 AYMQKDRHXTYJAO-LBPRGKRZSA-N 336.697 2.956 50 40 EFGB C#CCn1c(C)c(/C=N/NC(=O)c2ccccc2N)c2ccccc21 6959731 ASLHBOMCKFXPLZ-LPYMAVHISA-N 330.391 2.929 50 40 EFGB O=C(NNC(=O)c1ccc2ccccc2n1)c1ccc(Cl)cc1 2630499 HBVRWSIEMXRSGU-UHFFFAOYSA-N 325.755 2.963 50 40 EFGB O=C(N/N=C\c1cc([N+](=O)[O-])c(O)cc1O)c1cc2ccccc2o1 408848485 QSVFWZITUVKZJY-IUXPMGMMSA-N 341.279 2.516 50 40 EFGB COc1cc(/C=C(\C#N)C(=O)Nc2nccs2)cc(OC)c1OC 3617110 SFFSKSCJSQMZOZ-IZZDOVSWSA-N 345.380 2.715 50 40 EFGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccccc2O)cc1 6539041 KXCRQPVEFBADHX-JZQBQCRLSA-N 342.395 2.755 50 40 EFGB CCOc1cc(/C=N/NC(=O)CNc2ccccc2)ccc1OC 7009255 DSLUOGCDRJSJDG-UDWIEESQSA-N 327.384 2.656 50 40 EFGB COc1cccc(C(=O)NNc2nc3ccc([N+](=O)[O-])cc3s2)c1 59417518 RDGIKTBDQTUYAU-UHFFFAOYSA-N 344.352 2.970 50 40 EFGB CC1=CC(=O)[C@](C)(Cl)[C@@H](Cl)/C1=N\S(=O)(=O)c1ccccc1 16779893 UHWRYZLXKOEAKV-RAKLLCQZSA-N 346.235 2.950 50 40 EFGB O=C(N/N=C/c1sc2ccccc2c1O)c1ccc(O)cc1O 266467 GZZWGPCRYOQUNG-CAOOACKPSA-N 328.349 2.782 50 40 EFGB O=C(c1cc2ncc(CCCl)cn2n1)N1CCc2ccccc2C1 12844947 TXOORWUPUFYNAS-UHFFFAOYSA-N 340.814 2.709 50 40 EFGB COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCC#N 3570402 XGMLWYWBLHBGLG-RVDMUPIBSA-N 339.395 2.953 50 40 EFGB COc1ccc(C(=O)NN)cc1OC(=O)c1cccc2ccccc12 226364940 LTOYTKGPUNVVCV-UHFFFAOYSA-N 336.347 2.671 50 40 EFGB CCc1ccc(NC(=O)CCNC(=O)[C@H](Br)CC)cc1 8733147 UHMPQFFSLXJXQC-CYBMUJFWSA-N 341.249 2.867 50 40 EFGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)o1 408989205 HFVBVBSGFADCOG-XDHOZWIPSA-N 345.399 2.907 50 40 EFGB COC(=O)COc1cccc(/C=N/NC(=O)c2cccc(Cl)c2)c1 408830695 NLABSHZHSSINMW-VXLYETTFSA-N 346.770 2.656 50 40 EFGB CC(=O)N/N=C/c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 408851996 PCEAQPSDULSJGI-QGMBQPNBSA-N 333.775 2.916 50 40 EFGB N#C/C(=C/c1ccc(N2CCOCC2)cc1)C(=O)NC1CCCCC1 211257805 JOLWQOJWQZCZON-VKAVYKQESA-N 339.439 2.879 50 40 EFGB CCOC(=O)N1CCN(/C=C(\C#N)c2nc3ccccc3s2)CC1 525971 HPCLOUIAKIKVOC-OUKQBFOZSA-N 342.424 2.935 50 40 EFGB O=C(NNC(=O)c1c(F)cccc1F)c1ccccc1-n1cccc1 1394335 JAKATTHEVKJQLA-UHFFFAOYSA-N 341.317 2.830 50 40 EFGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)n2c1 59444049 IFXHKWQQHBSPOP-GIJQJNRQSA-N 337.339 2.623 50 40 EFGB CCOC(=O)[C@H](c1ccc(C)cc1)[C@@H](Br)C(=O)OCC 3671613 MNVZOGWIMOUWDL-CHWSQXEVSA-N 343.217 2.968 50 40 EFGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1F 16450315 KPXJEURKGYYACA-XFFZJAGNSA-N 327.271 2.985 50 40 EFGB C#CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC 2502662 SRGZIHZIICYNKD-IBGZPJMESA-N 348.358 2.631 50 40 EFGB O=C(N/N=C(\CC(=O)C(F)(F)F)c1cccs1)c1ccncc1 103822893 ZOGTVDIQAVZLKB-VXLYETTFSA-N 341.314 2.799 50 40 EFGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1O 408541949 GTIHDNLMRKRXAR-QPEQYQDCSA-N 338.319 2.645 50 40 EFGB COc1ccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCSC[C@H]32)cc1 4631663 BHDAXIWUFDUKEG-NVXWUHKLSA-N 348.431 2.852 50 40 EFGB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C=C(C#N)C#N)o2)c1 252483694 FGZVZMYRICTYNB-UHFFFAOYSA-N 336.303 2.950 50 40 EFGB N#CC1=C(N)Oc2[nH]nc(-c3ccncc3)c2[C@H]1c1ccc(F)cc1 88998 JZHMURMCAXIXQY-AWEZNQCLSA-N 333.326 2.829 50 40 EFGB O=C(N/N=C/c1cc(Br)ccc1O)c1cccc(O)c1 322197 HGXHAXRRTXLGSN-LZYBPNLTSA-N 335.157 2.624 50 40 EFGB O=c1oc2ccccc2n1C[C@H](Br)CBr 73764 JYJATHUCXJXTKV-SSDOTTSWSA-N 334.995 2.753 50 40 EFGB Cc1ccc(Oc2ccc(OCC(=O)NNC(=O)C(C)C)cc2)cc1 25254371 CDBCZFRSIHLVOO-UHFFFAOYSA-N 342.395 2.970 50 40 EFGB O=C(O)c1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1 9668306 ROYGEJXJJKUPIA-RQZCQDPDSA-N 347.168 2.911 50 40 EFGB COc1cccc(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)c1 409106866 OZINKEKALAEWJM-ZDLGFXPLSA-N 347.758 2.950 50 40 EFGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1 33662902 MUNMNCHZRWGEDE-DEDYPNTBSA-N 337.379 2.974 50 40 EFGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3sccc3C)CC2=O)cc1 13142639 AGHJQXVGJCDFDT-VAODSVERSA-N 341.436 2.868 50 40 EFGB O=[N+]([O-])c1ccc(S(=O)(=O)/C=C(\Cl)CBr)cc1 5570143 VOJIQRMELUGRRC-SREVYHEPSA-N 340.582 2.844 50 40 EFGB O=S(=O)(C[C@H](Br)CBr)c1ccccc1 100647920 AFYOBWMWRDARIA-MRVPVSSYSA-N 342.052 2.619 50 40 EFGB CC[n+]1cccc([C@@H](O)P(=O)(c2ccccc2)c2ccccc2)c1 3100107 CZJNDQWKINMYGD-FQEVSTJZSA-N 338.367 2.999 50 40 EFGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc2c1OCCO2 54868618 LTWGVZSMOMNALR-VXLYETTFSA-N 346.770 2.640 50 40 EFGB COc1cc(C(=O)NNC(=O)c2cccc(Cl)c2)cc(OC)c1C 3555022 YASLGRLWJAGJBT-UHFFFAOYSA-N 348.786 2.740 50 40 EFGB COC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1OC 408864045 RSDAHXRVRIWUBS-VXLYETTFSA-N 346.314 2.743 50 40 EFGB CC1(C)[C@@H](C(=O)NNc2ncnc3ccccc23)CC[C@]1(C)C(=O)O 6086117 JJYRYAFWRMDCDW-KZULUSFZSA-N 342.399 2.600 50 40 EFGB CCOc1ccccc1OCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 6223743 DJKOHFKHTHHKCU-WOJGMQOQSA-N 343.339 2.523 50 40 EFGB CCOc1ccc(/C=N\NC(=O)CNc2ccccc2C)c(O)c1 16102489 XQBPPKGJIYGVHK-JAIQZWGSSA-N 327.384 2.662 50 40 EFGB O=c1c2cc(OCCBr)ccc2nc2n1CCCCC2 218788164 IKSAMXRUABVBCU-UHFFFAOYSA-N 337.217 2.897 50 40 EFGB COc1cccc([C@@H](O)CNC(=O)[C@@H](Br)C(C)(C)C)c1 96004355 ZICLAZWCSQPVEP-QWHCGFSZSA-N 344.249 2.654 50 40 EFGB CC1=CC(=O)[C@H](Cl)[C@@H](Cl)/C1=N\S(=O)(=O)c1ccccc1 4167631 GIZIGXWXHHNROK-FNZKRBGKSA-N 332.208 2.560 50 40 EFGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cccc2ccccc12 3081877 RYAHJZVISJGPFK-FSJBWODESA-N 349.365 2.859 50 40 EFGB CC1(C)[C@H]2CC[C@@]1(C)/C(=N\NC(=O)CSc1nnc(N)s1)C2 102359425 KPQWGQUYYCITLX-KBPFFPIUSA-N 339.490 2.531 50 40 EFGB CCOC(=O)NNC(=O)c1c(-c2c(F)cccc2Cl)noc1C 28636674 NNZBRVNIHKUEHF-UHFFFAOYSA-N 341.726 2.833 50 40 EFGB CCOc1cc(C(=O)N/N=C\c2cccc(OC)c2)ccc1OC 409317826 WDLONJQCGMBHEN-UNOMPAQXSA-N 328.368 2.866 50 40 EFGB O=C(NNc1cccc(Cl)c1)[C@H]1CCCN1C(=O)c1ccco1 60742405 YEQVFIPYLGBPDV-CYBMUJFWSA-N 333.775 2.681 50 40 EFGB Cc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)c1 2135453 ONQJIKRHRHYBER-UHFFFAOYSA-N 347.827 2.598 50 40 EFGB aggregator CC(C)(C)Nc1nc(Cl)nc(NNC(=O)Nc2ccccc2)n1 4016316 SKIZZUXPDMDJNX-UHFFFAOYSA-N 335.799 2.884 50 40 EFGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccccc1F 6999138 LKYSJHCUYTXBFY-DJKKODMXSA-N 333.750 2.876 50 40 EFGB COc1ccc(/C=N/NC(=O)CSc2ccccc2)cc1[N+](=O)[O-] 408831698 WKWNTRZOAKJUJT-LICLKQGHSA-N 345.380 2.846 50 40 EFGB CCOc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1O 581975 WLWKIWNVNJVBNS-YBFXNURJSA-N 341.367 2.513 50 40 EFGB C/C(=N\NC(=O)[C@H](NC(=O)c1ccccc1)C(C)C)c1ccccc1 4154758 QNTPGGVVWCGXNL-GNFOSXPUSA-N 337.423 2.981 50 40 EFGB COc1cc(/C=N/NC(=O)CSc2ccc(C)cc2)ccc1O 8515370 QFGTUMFAGZARBD-VCHYOVAHSA-N 330.409 2.952 50 40 EFGB CN(C)c1nc(N)nc(/C(C#N)=C/c2ccc(Cl)cc2Cl)n1 12601832 SWKVKKUAQUOWCL-WEVVVXLNSA-N 335.198 2.891 50 40 EFGB CCOc1ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1 4720939 RRMBZTOTZKUUIM-WOJGMQOQSA-N 343.339 2.523 50 40 EFGB Cc1ccc(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1F 7961944 CAUUYUMXVGLQLW-AWEZNQCLSA-N 344.386 2.979 50 40 EFGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OC(C)=O 409372073 LBGPYSABWRKQQQ-XNTDXEJSSA-N 328.368 2.540 50 40 EFGB COC(=O)NNC(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 47560925 LSNLDVPSTQPOHR-UHFFFAOYSA-N 338.383 2.987 50 40 EFGB C[C@@]1(CBr)CSc2n(C[C@@H]3CO3)c3ccccc3[n+]21 4868281 PISGPIGFHCSKJY-QMTHXVAHSA-N 340.266 2.543 50 40 EFGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccccc1C 9200635 WOESZNFNIQTAMH-XDHOZWIPSA-N 337.335 2.679 50 40 EFGB COCCN/C(Cc1ccc(Cl)cc1)=N\NC(=O)OC(C)(C)C 66323332 SSAHUXVZWLBMFZ-UHFFFAOYSA-N 341.839 2.957 50 40 EFGB COC(=O)c1ccccc1N/C=C(\C#N)C(=O)NC1CCCCC1 95346255 AGRYTVBMTMUJAR-OUKQBFOZSA-N 327.384 2.741 50 40 EFGB Cc1nn(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1Cl 253398814 HOUBXHPACOEKDT-LBPRGKRZSA-N 346.818 2.833 50 40 EFGB COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Cl)c1O 256305 ZYKKZVNREYQHSB-CAOOACKPSA-N 349.730 2.726 50 40 EFGB COc1cc(/C=C/C(=O)NN)ccc1OCc1ccccc1Cl 226336177 MKSTZICFKNXQER-VQHVLOKHSA-N 332.787 2.931 50 40 EFGB Cc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2F)cc1 58813 TUWBNMYKXOMFJS-GIJQJNRQSA-N 331.303 2.571 50 40 EFGB Cc1nc2ccc(C(=O)NNc3ccccc3[N+](=O)[O-])cc2nc1C 52931139 JWTWXWPFIXTJOQ-UHFFFAOYSA-N 337.339 2.912 50 40 EFGB COc1ccc(C(=O)NN=C2CC(C)(C)NC(C)(C)C2)cc1OC 4147424 SKXYKMCFVWPWTQ-UHFFFAOYSA-N 333.432 2.730 50 40 EFGB COc1cccc(C(=O)N/N=C/c2ccc(O)c(Br)c2)c1 59506939 JMDIZBRJDFLOED-RQZCQDPDSA-N 349.184 2.927 50 40 EFGB CN(C)/N=N\c1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 104189297 QQFXBPGVISSOCW-JKBITOSFSA-N 340.343 2.919 50 40 EFGB N#C/C(=C\c1ccccc1C(=O)O)C(=O)Nc1ccc(C(=O)O)cc1 408921398 ASNINNQHEZHXCF-UKTHLTGXSA-N 336.303 2.629 50 40 EFGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccccc1 342508 XZPFXEYTHSAMER-CAOOACKPSA-N 347.168 2.942 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)COc2ccccc2)c(OC)c1 5221969 YMRUMUDPIGWDSK-CPNJWEJPSA-N 328.368 2.623 50 40 EFGB N#CC(C#N)=CNc1ccc(S(=O)(=O)NC2CCCCC2)cc1 10334580 FLMDOOJRIRFFPR-UHFFFAOYSA-N 330.413 2.641 50 40 EFGB CC(C)(Oc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccccc1O 13021255 ZZHUULGDJHARDC-UHFFFAOYSA-N 348.786 2.664 50 40 EFGB COc1cccc(OCCCOc2cccc(/C=N/NC(N)=O)c2)c1 4545181 HIHAVEXGJHSADU-DEDYPNTBSA-N 343.383 2.545 50 40 EFGB CC(C)COc1ccc(/C=N/NC(=O)CSc2ncccn2)cc1 408825756 FYTFNSYTYWVHBG-KEBDBYFISA-N 344.440 2.754 50 40 EFGB COc1ccc(SCC(=O)N/N=C\c2ccc(N(C)C)o2)cc1 408999733 XMXAVCRODBYFIX-YVLHZVERSA-N 333.413 2.597 50 40 EFGB O=C(CBr)NC[C@H](OCC1CC1)c1cccc(F)c1 95097943 IYQPPZBFMQDSFX-ZDUSSCGKSA-N 330.197 2.805 50 40 EFGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cccnc1 4180435 OIBDLQPGHBFJIN-XDHOZWIPSA-N 341.371 2.600 50 40 EFGB CO[C@@]1(c2ccccc2)C[C@@H]1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 4897727 BHMIBLWITDNUHG-MFYXZRBDSA-N 339.351 2.607 50 40 EFGB O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccc[nH]1 96998404 QXCUAQFJAMJXMK-GHMZBOCLSA-N 337.301 2.598 50 40 EFGB C=CCOc1cccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 408590006 NUZOFTCJQVDUFY-CPNJWEJPSA-N 339.351 2.852 50 40 EFGB COCCN1C(N)=C(C#N)[C@H](c2ccco2)C2=C1CC(C)(C)CC2=O 409130450 HONRTPWKWNHWAK-MRXNPFEDSA-N 341.411 2.662 50 40 EFGB CCOC(=O)/C(C#N)=C1\CCCC[C@H]1/C(SC)=C(/C#N)C(=O)OC 35193614 GWAULRFDRXGSJK-KFOGPJSXSA-N 348.424 2.874 50 40 EFGB CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1 33603544 CCTRJNNKEQROQC-UDWIEESQSA-N 339.395 2.791 50 40 EFGB C/C(=N\NC(=O)COc1ccc(Cl)c(C)c1)c1ccc(O)cc1O 8183379 URNNAHOCQFMETK-YBFXNURJSA-N 348.786 2.979 50 40 EFGB CC(C)(C)OC(=O)n1cc(C[C@@H]2NC(=O)OC2=O)c2ccccc21 100637835 IFJYSCUMFBKHDJ-LBPRGKRZSA-N 330.340 2.602 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2ccccc2C)cc1OC 225714 LFNADMXYGOGANW-YBFXNURJSA-N 328.368 2.541 50 40 EFGB O=S1(=O)c2ccccc2[C@@H](Br)[C@@H]1Br 1672900 WIBNBPJBXWIBAP-HTQZYQBOSA-N 326.009 2.631 50 40 EFGB C#CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)N(C)C)cc1OCC 59334905 AOGRVDGUBVMQHA-ATVHPVEESA-N 338.407 2.821 50 40 EFGB O=C(NN=C(c1ccccc1)c1ccccc1)[C@H]1CC(=O)N(C2CC2)C1 29518570 ZCUYSVWUYPHBNE-KRWDZBQOSA-N 347.418 2.566 50 40 EFGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)COc2ccccc2C)c1 408831564 OFIJRHFVXNDTOY-KGENOOAVSA-N 339.395 2.873 50 40 EFGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc2c(c1)OCO2 5925878 ZQNGGOHSLGHJGO-WOJGMQOQSA-N 341.323 2.786 50 40 EFGB O=C(CSCCc1ccccc1)N/N=C/c1ccc2c(c1)OCO2 5603063 ZDFNBKKXWOYWLD-YBFXNURJSA-N 342.420 2.841 50 40 EFGB NNC(=O)CCc1ccc(OCc2cccc(Br)c2)cc1 226345153 XDMWANFFHVJRLZ-UHFFFAOYSA-N 349.228 2.951 50 40 EFGB C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)c1ccccc1N 15161856 WUUCSXMVMNNMBM-SRZZPIQSSA-N 328.347 2.542 50 40 EFGB Cc1ccsc1/C=N/NC(=O)c1ccc(CN2CCOCC2)cc1 44859835 VNDRMJPKIZAROV-XDHOZWIPSA-N 343.452 2.653 50 40 EFGB CC1=C(C#N)C(=O)NC(=O)/C1=C/c1ccc(-c2ccccc2C(=O)O)o1 100700546 QFSBWMPPUNFUEN-RIYZIHGNSA-N 348.314 2.525 50 40 EFGB COc1ccc2c(CC(=O)NNC(=O)c3ccccc3F)coc2c1 3402451 BVIFZIIACCFDHC-UHFFFAOYSA-N 342.326 2.584 50 40 EFGB O=C(NNC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc[nH]1 96998397 QXCUAQFJAMJXMK-QWRGUYRKSA-N 337.301 2.598 50 40 EFGB O=C(O)c1cccc(-n2cccc2/C=N\NC(=O)c2cccc(O)c2)c1 409103727 BMZPHIKTHOUDGS-NDENLUEZSA-N 349.346 2.645 50 40 EFGB COc1cc(/C=N\NC(=O)c2ccc(F)cc2)ccc1OC(C)=O 32123369 TYRNYTNNQAVRDL-GRSHGNNSSA-N 330.315 2.524 50 40 EFGB CC(C)(C)C(=O)N[C@]1(C(Cl)Cl)N=C(c2ccccc2)NC1=N 101359228 KOJJBHWESPTEBW-HNNXBMFYSA-N 341.242 2.676 50 40 EFGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(C)o2)cc1 58892927 WWXGRWPKTLDMRY-MIQLPHMESA-N 330.384 2.951 50 40 EFGB NNC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1 36724686 DMJHSXNOXBSIPX-UHFFFAOYSA-N 346.843 2.820 50 40 EFGB CC(C)c1ccc(/C=N/NC(=O)c2ccc(-n3cnnn3)cc2)cc1 6786628 UVQSJCVSCCIYOU-YBFXNURJSA-N 334.383 2.550 50 40 EFGB O=C(N/N=C/c1ccc(N2CCCCC2)o1)c1ccc2c(c1)OCO2 5945475 ZIERWTWKGZOSBQ-YBFXNURJSA-N 341.367 2.763 50 40 EFGB CN(C)c1ccc(C(=O)NNC2=C(C(=O)C(F)(F)F)CCC2)cc1 5027595 LEUIGQHTUUHCLT-UHFFFAOYSA-N 341.333 2.556 50 40 EFGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(C)cc1 169885939 HGOKRWNIOPDBAB-ZDLGFXPLSA-N 343.339 2.684 50 40 EFGB CCOC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(OC)c(OC)c1 6493476 SEHFFYSPSSIILE-KPKJPENVSA-N 327.340 2.564 50 40 EFGB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccncc2)C(C#N)=C(N)O1 59930 WFIFXEKKYXMBOT-SFHVURJKSA-N 347.374 2.907 50 40 EFGB C=CCSC1=C(C#N)[C@H](c2ccccc2OC)[C@@H](C#N)C(=O)N1 2299535 CVNYNEIMYOSITI-IUODEOHRSA-N 325.393 2.703 50 40 EFGB CC(=O)Oc1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1 408720147 UIMAGUVEWIEMIX-YBFXNURJSA-N 342.420 2.995 50 40 EFGB CCOC(=O)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12 39484958 CFNQYZMCWRKNDC-UHFFFAOYSA-N 336.351 2.688 50 40 EFGB CC(C)Oc1ccc(/C=N/NC(=O)CNc2ccccc2)c(O)c1 409375804 PKTYKRPCBLMXMM-RGVLZGJSSA-N 327.384 2.742 50 40 EFGB COc1cccc(/C=N/NC(=O)CNc2ccc(C)cc2)c1OC 4739475 ARBPYHPXEFCBAL-RGVLZGJSSA-N 327.384 2.574 50 40 EFGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(O)c1 408599691 YPDMHMFIILQHGN-VCHYOVAHSA-N 343.339 2.852 50 40 EFGB COc1ccc(Cl)cc1C(=O)n1cc(C(=O)NN)c2ccccc21 216956017 IRNSGHABBSVYTR-UHFFFAOYSA-N 343.770 2.595 50 40 EFGB C[C@@H](C(=O)NNC(=O)CSc1ccc(Cl)cc1)C(F)(F)F 72302661 DCWNSLCJJZZPGB-ZETCQYMHSA-N 340.754 2.778 50 40 EFGB O=C(N/N=C\c1c(O)ccc2ccccc12)[C@H]1COc2ccccc2O1 13563864 DOWSORIDOINJND-WVGJEZMVSA-N 348.358 2.836 50 40 EFGB Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)o1 20086103 JVGZFABXIUJIKP-OAHLLOKOSA-N 333.347 2.658 50 40 EFGB COc1cc(OC)cc(C(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)c1 6685710 NSSSKFVMXGCZKR-WOJGMQOQSA-N 343.339 2.766 50 40 EFGB NNC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 6335121 PWQAFYKLVHJNTC-UHFFFAOYSA-N 343.184 2.663 50 40 EFGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(O)c1 408890855 HLWHOXJOYTYHKP-KPKJPENVSA-N 339.307 2.855 50 40 EFGB O=C(N/N=C/c1ccc(N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 408959512 ADSWWLLUTDHJSE-CPNJWEJPSA-N 338.367 2.959 50 40 EFGB CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)OC(C)(C)C)c1O 36223298 YGEIVTLAGUBVQE-OVCLIPMQSA-N 325.321 2.558 50 40 EFGB C/C(=N\NC(=O)c1cc(C)n[nH]1)c1ccc(Br)s1 17015408 OKSQDWNRWAJTOE-VGOFMYFVSA-N 327.207 2.696 50 40 EFGB CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 58883205 IEIAMMPAJSEEBT-GRSHGNNSSA-N 345.786 2.828 50 40 EFGB Cn1c(C(=O)NNC(=O)c2cccc3cccnc23)cc2ccccc21 64500593 LHFUYAAAAJKDMU-UHFFFAOYSA-N 344.374 2.801 50 40 EFGB O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)N1CCCC1 4525746 VCEOWSONRLVNKV-ODLFYWEKSA-N 345.786 2.673 50 40 EFGB CCOc1cc(/C=N/NC(=O)c2ccccc2O)cc(Cl)c1O 6675217 NTZVNONOYRAZEA-GIJQJNRQSA-N 334.759 2.914 50 40 EFGB CCS(=O)(=O)[C@@H](Br)C(=O)c1cccc(Cl)c1 96517868 BPMGHZPTVZJACI-SNVBAGLBSA-N 325.611 2.678 50 40 EFGB CC1(C)[C@@H]2C[C@@H]1C[C@H]1OB([C@H](N)CCCBr)O[C@@]21C 196545851 FEXGWQLLVNLRTO-OJROKELRSA-N 330.075 2.756 50 40 EFGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(Cl)c2)cc1 8085943 KAKQVKDNQYOUPK-VXLYETTFSA-N 345.786 2.697 50 40 EFGB Cc1cccc(-n2ncc3c(NNC(=O)c4ccccc4)ncnc32)c1 17135609 OHFXZOCFLRZZNP-UHFFFAOYSA-N 344.378 2.881 50 40 EFGB CCN(NC(=O)[C@H]1CCCN(C(=O)NC(C)C)C1)c1ccc(C)cc1 47063912 LMDSBTWKJIFQQS-INIZCTEOSA-N 346.475 2.683 50 40 EFGB CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1 7812089 ILTLYZPPJSUMIL-YBFXNURJSA-N 345.786 2.828 50 40 EFGB O=C(CCCl)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 1703725 HFFVGEAOFDJBBN-UHFFFAOYSA-N 345.833 2.511 50 40 EFGB COc1cc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1O 23410176 UZEPWYMUYHRJQG-KBXCAEBGSA-N 346.390 2.994 50 40 EFGB O=C(N/N=C\c1c(F)cccc1Cl)C(=O)Nc1ccc(F)cc1 408895127 TWKRWPWHXPQFHS-UWVJOHFNSA-N 337.713 2.707 50 40 EFGB O=C(COc1cccc([N+](=O)[O-])c1)N/N=C/c1cccc(Cl)c1 33084 HPUPBZHOWFKJJO-RQZCQDPDSA-N 333.731 2.777 50 40 EFGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc3c(c2)OCO3)c1 565458 GQMXLCJMSDRPFY-DJKKODMXSA-N 326.352 2.561 50 40 EFGB CCc1nn2c3ccccc3n(C)c2c1C(=O)N/N=C/c1cccnc1 3173667 SGOXNFCPSYMGSX-CIAFOILYSA-N 346.394 2.547 50 40 EFGB CC1(C)[C@H](O)[C@@]2(Br)CC[C@]1(CC#N)[C@H]2Br 109275461 SNSPGLYSSKESNT-YKDSUIRESA-N 337.055 2.978 50 40 EFGB Cc1nc(-c2c[nH]c(C(=O)NNC(=O)c3ccccc3)c2)cs1 28201690 MONFEYXSMFNHNJ-UHFFFAOYSA-N 326.381 2.521 50 40 EFGB COc1cc(OC)c(/C=N/NC(=O)c2ccccc2O)cc1Cl 408592152 XVJROAXFLYYIAP-GIJQJNRQSA-N 334.759 2.827 50 40 EFGB O=C(CCC(=O)NNc1ccccc1)/N=c1\[nH]c2ccccc2s1 5769520 IBIFCBQTXLQRIY-UHFFFAOYSA-N 340.408 2.580 50 40 EFGB CC(C)c1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1 3062117 LHHBSKPSLHCIOT-HYARGMPZSA-N 337.423 2.619 50 40 EFGB O=C(N/N=C/c1ccncc1)c1ccc(COCC(F)(F)F)cc1 2750885 DNWUAUGPXPIXHP-ZVBGSRNCSA-N 337.301 2.924 50 40 EFGB Cc1ccc(OCC(=O)N/N=C/c2ccc(N(C)C)cc2)c(C)c1 220506 RMQDJOOSFGLEBM-UDWIEESQSA-N 325.412 2.899 50 40 EFGB Cc1nn([C@@H](C)C(=O)N/N=C/c2ccccc2Cl)c(C)c1[N+](=O)[O-] 537124 HBMFKKKMUNWPJD-CPWFCVNUSA-N 349.778 2.773 50 40 EFGB COc1ccc(/C=N\NC(=O)c2ccccc2Cl)cc1C(=O)O 33401996 ARDHACZKGQQXAW-NVMNQCDNSA-N 332.743 2.811 50 40 EFGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)cc1O 4453408 CUPVFPXBQITJQK-CYBMUJFWSA-N 340.383 2.640 50 40 EFGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cccs1 408910830 LPMQHVRQWJCNQP-GYZOOYGHSA-N 345.424 2.556 50 40 EFGB COc1cc(Br)ccc1N1C[C@@H](C(=O)Cl)CC1=O 218736225 LNEVWWHQVNHKDN-ZETCQYMHSA-N 332.581 2.576 50 40 EFGB O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)NC1CCCCC1 3664798 NVCRSBBUSHCRIY-GIJQJNRQSA-N 342.226 2.892 50 40 EFGB Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)o1 20086101 JVGZFABXIUJIKP-HNNXBMFYSA-N 333.347 2.658 50 40 EFGB C[C@@H](Nc1cccc(Br)c1)C(=O)N/N=C/c1ccncc1 2750449 ORFNPPVKEDFAJH-VDCVXVNISA-N 347.216 2.795 50 40 EFGB NNC(=O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1 54969024 SZWIJIQSMIKZLA-UHFFFAOYSA-N 331.419 2.558 50 40 EFGB in-vitro N#CC(C#N)=CNCc1cn(-c2ccccc2)nc1-c1ccncc1 57769962 LIIZMSIDNMTAHR-UHFFFAOYSA-N 326.363 2.955 50 40 EFGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408882553 QUADHSWJWLKOOV-UQAZEKEBSA-N 346.343 2.779 50 40 EFGB COc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1ccccc1F 40007423 RCGRGSQSTBRFAF-RIYZIHGNSA-N 326.327 2.806 50 40 EFGB COc1ccc2c3c1C(=O)C(=O)N3C(C)(C)C=C2CBr 575422429 KMJXOKBJKDILTK-UHFFFAOYSA-N 336.185 2.795 50 40 EFGB CN1C(=C(C#N)C(=O)COc2cccc(C#N)c2)N(C)c2ccccc21 40498049 BEVJPFZRXSXYSI-UHFFFAOYSA-N 344.374 2.828 50 40 EFGB O=C(NNC(=O)c1cccs1)c1csc(-c2ccccc2)n1 9512500 NVBOONGXZMMFTH-UHFFFAOYSA-N 329.406 2.946 50 40 EFGB CCOC(=O)/C(=C(/C)Nc1ccc(Cl)cc1)[C@H]1CC(=O)OC1=O 95682145 SYASXUXWOKXKDP-OJLMPMFISA-N 337.759 2.679 50 40 EFGB CCCc1n[nH]c2c1[C@@H](c1ccc(O)cc1OCC)C(C#N)=C(N)O2 5066812 MVBPOVMTXWFKKY-HNNXBMFYSA-N 340.383 2.685 50 40 EFGB COC(=O)c1ccc(C(=O)NNc2nc3ccc(F)cc3s2)cc1 251176 IBQFSYQGWUMYBB-UHFFFAOYSA-N 345.355 2.979 50 40 EFGB CC1CCN(C(=O)c2ccccc2NC(=O)CBr)CC1 35605006 UBYJXSKDHMHUNU-UHFFFAOYSA-N 339.233 2.892 50 40 EFGB COc1ccc(OC)c(C(=O)NNc2ccc(F)c(F)c2F)c1 60381965 YGKIZYBBSLQKFD-UHFFFAOYSA-N 326.274 2.878 50 40 EFGB C#CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1Cl 4541098 OSUBUWMQPMPDRC-OAHLLOKOSA-N 340.770 2.602 50 40 EFGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(Cl)c1 4525736 KGEIXYDRENEBSW-YBFXNURJSA-N 345.786 2.828 50 40 EFGB COc1ccc(CNC(=O)/C(C#N)=C/c2cccc(OC)c2O)cc1 408818742 YTHWMMWIZGZLMQ-XNTDXEJSSA-N 338.363 2.633 50 40 EFGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc([N+](=O)[O-])ccc1O 409043893 BHNNEXAFDQUSHM-GIJQJNRQSA-N 338.323 2.854 50 40 EFGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(O)cc2O)[C@H]2CCCC=C12 33374671 JAHTWFDUIDEBRM-GUYCJALGSA-N 332.363 2.691 50 40 EFGB CCOC(=O)Cn1cc(/C=N/NC(=O)c2ccccc2)c2ccccc21 495834 XXHPTSXSDBMWQY-CIAFOILYSA-N 349.390 2.968 50 40 EFGB CCCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(O)cc2O)cc1 60272 VQSKQVPYCAMVSX-YBFXNURJSA-N 341.367 2.600 50 40 EFGB CCc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCCOC)cc1 36646324 BRORZRFCIHDBSN-QGZVFWFLSA-N 342.395 2.520 50 40 EFGB C[C@@H](CC(=O)[C@H]1[C@@H](C)C=CCC1(C)C)NNC(=O)c1ccncc1 2368199 DFOMBGOIZRDJAG-GRDNDAEWSA-N 329.444 2.902 50 40 EFGB CC1=Nc2ccccc2[C@H](c2ccc(Cl)cc2)N1CC(=O)NN 97165219 CRIJAWJNUMNANF-KRWDZBQOSA-N 328.803 2.785 50 40 EFGB CC(C)Oc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1 43914935 VWYJJRKCSYGSOV-PQFHHTBUSA-N 340.379 2.764 50 40 EFGB Cn1ncc(Cl)c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253396770 FANNTPDWAPFQFA-LBPRGKRZSA-N 332.791 2.524 50 40 EFGB COC(=O)CSC1=C(C#N)[C@@H](c2cccs2)C(C(C)=O)=C(C)N1 4638565 XNIDMGXMIKQIPI-HNNXBMFYSA-N 348.449 2.939 50 40 EFGB CC[C@H](Br)C(=O)NCCC(=O)Nc1cccc(C)c1 8733105 OOGSVFMJSPFHOF-LBPRGKRZSA-N 327.222 2.613 50 40 EFGB COc1cccc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)c1O 12859299 OWVOKQHAWSWDMP-KEBDBYFISA-N 342.395 2.855 50 40 EFGB CCc1ccc2c(CC(=O)NNC(=O)c3ccc(O)cc3)coc2c1 8327676 SCRHPGWABLNFLZ-UHFFFAOYSA-N 338.363 2.705 50 40 EFGB O=C(N/N=C\c1ccc(O)c([N+](=O)[O-])c1)c1cc2ccccc2o1 36092239 BXCALBTUIGFYOD-MFOYZWKCSA-N 325.280 2.811 50 40 EFGB CCO[Si](OCC)(OCC)c1ccc(O[C@H]2CCCCO2)cc1 207752826 KWYRUTMHMLTVRS-KRWDZBQOSA-N 340.492 2.847 50 40 EFGB CC(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 21289879 OYASORUTKNVEAA-UHFFFAOYSA-N 340.408 2.636 50 40 EFGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(N(C)C)cc1 345242 ILFWGMHZUPVAHS-DEDYPNTBSA-N 341.411 2.680 50 40 EFGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1cccc(F)c1 481935 PZXCDQDUDYJMLI-HNNXBMFYSA-N 333.322 2.885 50 40 EFGB CC(C)(C)[C@H](Br)C(=O)NCCC(=O)Nc1ccccc1 8733004 VBZRDBFSWNORJK-CYBMUJFWSA-N 341.249 2.941 50 40 EFGB CC/C(=N\NC(=O)[C@H]1CCCO1)c1cc(Br)ccc1O 43972586 OJLOGXJUHSGIJH-KWWJGWKXSA-N 341.205 2.564 50 40 EFGB COc1ccccc1/C=C/C=N/NC(=O)COc1ccc(C#N)cc1 3277536 LRIOYNAYQSOZPL-DIULEBGUSA-N 335.363 2.761 50 40 EFGB Cc1ccc(-n2ncc3c(NNC(=O)c4ccco4)ncnc32)c(C)c1 13496868 FMLSUVSSOOVPLO-UHFFFAOYSA-N 348.366 2.782 50 40 EFGB O=C(CCCCCc1ccc(O)cc1)NNC(=O)c1cccc(O)c1 65567810 BGZVINFAAQWRGK-UHFFFAOYSA-N 342.395 2.662 50 40 EFGB CC(C)N1C(=O)/C(=C(\C#N)C(=O)Nc2cccnc2)c2ccccc21 409146724 SUJOBIYIVXVZDU-BMRADRMJSA-N 332.363 2.752 50 40 EFGB Cc1ccc(COc2ccc(C(=O)NN)cc2Br)cc1 216819603 PPOIBBXVWXLHTK-UHFFFAOYSA-N 335.201 2.940 50 40 EFGB CC(=O)Nc1ccc(NC(C#N)=C2C(=O)c3ccccc3C2=O)cc1 150415 CZBTYLOZZSGADL-UHFFFAOYSA-N 331.331 2.914 50 40 EFGB O=C(NNC(=O)c1cccnc1)Nc1ccc(Cl)c(Cl)c1 256383 UDMYSEBNVFWWII-UHFFFAOYSA-N 325.155 2.855 50 40 EFGB Cc1ccc2[nH]c(=O)c([C@@H]3C(C#N)=C(N)Oc4cc(O)ccc43)cc2c1 421236 JPNUBMIXLOMWGM-GOSISDBHSA-N 345.358 2.760 50 40 EFGB N#CCn1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c2ccccc21 408966478 LWUBKGUIOPULTC-FOKLQQMPSA-N 345.337 2.940 50 40 EFGB CCOc1ccc(C(=O)N/N=C\c2cccc(O)c2)cc1OCC 409324289 SWHYELPOXYYMFQ-UNOMPAQXSA-N 328.368 2.954 50 40 EFGB Cc1cc(OCC(=O)NNc2ncc(Cl)cn2)ccc1Cl 72427704 AJMJYNOQBVXCHT-UHFFFAOYSA-N 327.171 2.614 50 40 EFGB COc1cccc(/C=N/NC(=O)[C@H](OC)c2ccccc2)c1OC 3167197 HCUPJKJWDVILOP-MIQLPHMESA-N 328.368 2.542 50 40 EFGB CC(C)CC[C@H](C(=O)O)[C@@H](C)CC(=O)NNC(=O)c1ccccc1 2250609 LCUWJBCVSJTRGG-ZFWWWQNUSA-N 334.416 2.611 50 40 EFGB CCOC(=O)N1CCC(=NNC(=O)c2ccc3ccccc3n2)CC1 6497443 ZTHDHQONHAEFOK-UHFFFAOYSA-N 340.383 2.573 50 40 EFGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(O)cc2O)c1C 18209518 FZSGJKBRSFMZBX-DJKKODMXSA-N 328.368 2.552 50 40 EFGB COc1cc(OC)c(/C=N/NC(=O)CNc2ccccc2)cc1Cl 409383117 RREVQDHJBWKILN-KEBDBYFISA-N 347.802 2.919 50 40 EFGB COc1cc(OC)cc([C@@H]2C(C#N)=C(N)Oc3cc(OC)ccc32)c1 34029144 FDNDSIRQZMJIDA-SFHVURJKSA-N 338.363 2.931 50 40 EFGB CN(C(=O)CCl)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 242522164 IJVQGZRVBWYUKE-SHTZXODSSA-N 338.835 2.921 50 40 EFGB Cc1ccc(NCC(=O)N/N=C/c2ccc(Br)o2)cc1 223108 PYBPWXIKMOTXAT-CAOOACKPSA-N 336.189 2.913 50 40 EFGB Cn1c2[n+](c3ccccc31)[C@@](C)(CI)CS2 500996 NEZJYNKLGKOYKC-LBPRGKRZSA-N 345.229 2.722 50 40 EFGB C=CCc1cc(/C=N/NC(=O)c2cccnc2)cc(OCC)c1O 566189 ZIKVYGNHRCQQHO-RGVLZGJSSA-N 325.368 2.678 50 40 EFGB Cc1nn(C)c(C)c1[C@@H]1[C@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 2769534 PTYGVKYRDGUFHC-YOEHRIQHSA-N 332.411 2.631 50 40 EFGB O=C(NNC(=O)c1cc2ccccc2s1)c1ccc2c(c1)OCO2 26690429 GTXYHLPJHWJJQO-UHFFFAOYSA-N 340.360 2.705 50 40 EFGB CSc1ccc(/C=N\NC(=O)CC(=O)NC2CCCCC2)cc1 59444510 QKSNJMXNGQPYHD-PDGQHHTCSA-N 333.457 2.698 50 40 EFGB O=C(N/N=C/c1ccc2c(c1)OCO2)Nc1ccc2nsnc2c1 338460 ICXPDLFBLXAHFI-FRKPEAEDSA-N 341.352 2.576 50 40 EFGB Cc1onc(-c2ccccc2)c1C(=O)N/N=C1\C(=O)Nc2ccccc21 5730191 AWNUAESFZOIBEP-UHFFFAOYSA-N 346.346 2.736 50 40 EFGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)/C=C/c1ccccc1 5960600 GUOHTKGSELPVRI-JXMROGBWSA-N 344.798 2.888 50 40 EFGB CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1 5383834 VJJFVRRWMMKPGN-HYARGMPZSA-N 337.423 2.751 50 40 EFGB N#CC1=C2CCCN2c2cc(N3CCCCC3)ccc2S1(=O)=O 67240378 DJUZGJDFWHRNQB-UHFFFAOYSA-N 329.425 2.800 50 40 EFGB Cc1nccn1CC(=O)NN=Cc1ccc(OCc2ccccc2)cc1 2210584 ZGFXAUQPRZGVEN-UHFFFAOYSA-N 348.406 2.921 50 40 EFGB C/C(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)=N\NC(=O)c1ccco1 4550689 HFTMYQVPFVCYBC-WOJGMQOQSA-N 344.327 2.631 50 40 EFGB COc1cccc2cc(C(=O)N/N=C/c3ccc(C(=O)O)cc3)oc12 408971651 KUBMZWMCNSMPQP-VXLYETTFSA-N 338.319 2.904 50 40 EFGB O=C(O)c1cccc(-n2cccc2/C=N/NC(=O)c2ccccc2)c1 409106773 UGESMDYSHVJMTG-DEDYPNTBSA-N 333.347 2.939 50 40 EFGB CCOC(=O)C1=C(C)NC(=C(C#N)C#N)[C@H](C#N)[C@H]1c1ccc(C)cc1 85409478 JTATXROTGXINLB-SJLPKXTDSA-N 346.390 2.960 50 40 EFGB CCOC(=O)c1cc(-c2ccc(/C=N\NC(N)=O)o2)ccc1Cl 6956160 MXGBKPJCVFAOQN-LSCVHKIXSA-N 335.747 2.779 50 40 EFGB CCOC(=O)c1sc(N)c(C(=O)OCC)c1CBr 3195600 GICWCMSFGJCNHW-UHFFFAOYSA-N 336.207 2.579 50 40 EFGB CC(C)NC(=O)C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 58914329 UMOOHRWAEQFUGL-NVMNQCDNSA-N 333.775 2.575 50 40 EFGB Cc1cc2c(c(=O)n1C)[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 2212594 GDZDASLNRFHVTB-CYBMUJFWSA-N 345.761 2.704 50 40 EFGB COc1ccc2cc(C(=O)N/N=C/c3cccc(OC)c3O)[nH]c2c1 2341301 QLZAVLPOTNZKBI-VXLYETTFSA-N 339.351 2.655 50 40 EFGB COc1ccc(CC(=O)N/N=C/c2ccc(OC(C)C)cc2O)cc1 408586011 AINLBWGEHXWXGK-UDWIEESQSA-N 342.395 2.881 50 40 EFGB CN(C)c1nc(N)nc(/C(C#N)=C/c2cnc(-c3ccccc3)s2)n1 78737183 OXZCUIOMKLDIQA-XYOKQWHBSA-N 349.423 2.707 50 40 EFGB Cc1nn(C)c(F)c1/C=N/NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 252481101 CHSWUIWJUISIQD-VCCQXKBGSA-N 334.782 2.775 50 40 EFGB CC1=CC(=O)[C@](C)(Cl)[C@H](Cl)/C1=N\S(=O)(=O)c1ccccc1 16779897 UHWRYZLXKOEAKV-GJRBHXFNSA-N 346.235 2.950 50 40 EFGB Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1cccnc1 6389943 DVCBDJVYEVEBCO-CIAFOILYSA-N 326.375 2.893 50 40 EFGB O=C(NNc1nc2c(F)cccc2s1)c1ccc2c(c1)OCCO2 5025716 JOHHDVULZUPKBI-UHFFFAOYSA-N 345.355 2.964 50 40 EFGB O=C(NNc1cccc(Cl)c1)[C@H]1CCCN(C(=O)c2ccco2)C1 30615478 HTZPRVYRHCQUJB-LBPRGKRZSA-N 347.802 2.929 50 40 EFGB Cc1cccc(/C=N/NC(=O)CCC(=O)Nc2cccc(Cl)c2)n1 2750255 PTONXJDCUWXHCQ-YBFXNURJSA-N 344.802 2.912 50 40 EFGB CNC(=O)CCCCC(=O)N/N=C/c1ccc(Cl)cc1Cl 3080377 UXPMASONAQEQIF-GIJQJNRQSA-N 330.215 2.750 50 40 EFGB O=C(NNC(=O)C1CCC1)c1cc(-c2cccnc2)nc2ccccc12 12553584 LLSBUEKTKZQDOQ-UHFFFAOYSA-N 346.390 2.858 50 40 EFGB Cc1cc(C)nc(NNC(=O)c2cc(F)ccc2Br)n1 11334537 JGBNNXQVPUZUQQ-UHFFFAOYSA-N 339.168 2.752 50 40 EFGB C/C(=N\NC(=O)c1cccnc1)c1cc2cc(Cl)ccc2oc1=O 4599090 GXXHAAPHQMEIJU-KEBDBYFISA-N 341.754 2.995 50 40 EFGB COC(=O)Cn1cc(-c2ccccc2)c(N=C=S)c1C(=O)OC 67172897 DFPJBTDRKVNITL-UHFFFAOYSA-N 330.365 2.849 50 40 EFGB N#C/C(=C\c1ccccc1C(=O)O)C(=O)Nc1ccccc1C(=O)O 408925329 RAGDAWCAQJSUAS-FMIVXFBMSA-N 336.303 2.629 50 40 EFGB COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1 59640 ZYTSXXSFOCKLQW-RQZCQDPDSA-N 349.184 2.927 50 40 EFGB Cc1ncsc1C(=O)NNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 104641390 FVZIRLQOCRMVMH-NWDGAFQWSA-N 335.816 2.670 50 40 EFGB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=O)c1ccccc1 1479729 ZZLSFVLZLJDCHE-LBPRGKRZSA-N 332.787 2.877 50 40 EFGB CC(C)CC[C@H](C(=O)O)[C@H](C)CC(=O)NNC(=O)c1ccccc1 2250611 LCUWJBCVSJTRGG-HIFRSBDPSA-N 334.416 2.611 50 40 EFGB C=CCc1cccc(/C=N/NC(=O)COc2ccc(F)cc2)c1O 3174789 SGPMGLWZLITZQV-RGVLZGJSSA-N 328.343 2.789 50 40 EFGB CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)NC2CC2)c1C 5870167 QWLIZBHABKHOHE-DWKHYPNZSA-N 343.427 2.632 50 40 EFGB COc1cc(O)ccc1/C=N/NC(=O)c1ccc(Br)cc1 226054 CXNITZOMQPSYRB-RQZCQDPDSA-N 349.184 2.927 50 40 EFGB Cc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)s1 525496 KCNUZIAKHUHBSE-HVOBPNNYSA-N 327.409 2.560 50 40 EFGB CCCSC1=C(C#N)[C@H](c2ccccc2)[C@H](C(=O)OC)C(=O)N1 103319514 PSRTYEFFPKOQPD-KBPBESRZSA-N 330.409 2.568 50 40 EFGB COc1ccc(OC)c(NC(=O)C(=O)NN=C2CCCCCCC2)c1 59515796 SEXZSONFHLGYCB-UHFFFAOYSA-N 347.415 2.859 50 40 EFGB O=C(/C=C/c1ccc2c(c1)OCCO2)NNc1ccccc1[N+](=O)[O-] 15502619 ZZBKDBSZAVCCKN-SOFGYWHQSA-N 341.323 2.523 50 40 EFGB O=C(NNC(=S)NCCc1ccccc1)c1c[nH]c2ccccc12 8326139 PSAXMJDMIUBTIQ-UHFFFAOYSA-N 338.436 2.520 50 40 EFGB CC(C)(O)C(=O)N/N=C/c1ccccc1OCc1ccccc1F 32578390 VYXAQPKSLVDNAT-RGVLZGJSSA-N 330.359 2.626 50 40 EFGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\c1ccc[nH]1)CO2 31849117 CISVJPXUQJEUAP-OBLBUWMUSA-N 327.384 2.602 50 40 EFGB COc1cccc(-c2n[nH]c3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)c1 5817956 YAZBRXCIFCILRG-HNNXBMFYSA-N 345.362 2.698 50 40 EFGB O=C(N/N=C/c1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 5603911 ROMQLVKRCZFMEH-HXJASHHUSA-N 341.798 2.843 50 40 EFGB Cc1cc(/C=N\NC(=O)c2ccccc2O)c(C)n1-c1ccncc1 12364061 XZAMJQLLTXYXSP-MTJSOVHGSA-N 334.379 2.959 50 40 EFGB COc1cccc(C(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)c1 408865088 BMZKPEDXFUATKN-UDWIEESQSA-N 325.368 2.808 50 40 EFGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)ccc1OCC#N 408805733 LDHUUIRGMPGAHD-QQFZQELXSA-N 327.384 2.809 50 40 EFGB COc1cc(/C=N\NC(=O)c2cccc(C)c2)c([N+](=O)[O-])cc1OC 33297700 GACZWDHKPBWDFF-ZDLGFXPLSA-N 343.339 2.684 50 40 EFGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCC#N 3572355 HODXHGZNIWIAKD-RGVLZGJSSA-N 327.315 2.501 50 40 EFGB O=C(NNC(=O)c1ccncc1)Nc1cc(Cl)ccc1Cl 1668574 KJZALFOCGMWYGZ-UHFFFAOYSA-N 325.155 2.855 50 40 EFGB COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)cc1O 4453407 CUPVFPXBQITJQK-ZDUSSCGKSA-N 340.383 2.640 50 40 EFGB CCc1ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1 4721083 MJEPVGWCXJZKBB-WOJGMQOQSA-N 327.340 2.686 50 40 EFGB N#CC1=C(N)Oc2ncnc(O)c2[C@H]1c1ccc(Cl)c(Cl)c1 9419330 ZARXGIUNRKUEMX-JTQLQIEISA-N 335.150 2.707 50 40 EFGB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NN 118924287 VVTXMFGLOIFEKN-VUJKKSPKSA-N 332.488 2.916 50 40 EFGB Cc1ccc(CC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1C 408567696 PIAPCFMGJAYTIO-VCHYOVAHSA-N 327.340 2.610 50 40 EFGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(O)cc2O)[C@H]2CCCC=C12 33374673 JAHTWFDUIDEBRM-SUMWQHHRSA-N 332.363 2.691 50 40 EFGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(N(C)C)cc2)c1 581712 VOFBFVQAPUCFEF-XDHOZWIPSA-N 327.384 2.534 50 40 EFGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1O 186309 GGRUVZCVGNSFQX-RQZCQDPDSA-N 326.381 2.511 50 40 EFGB CN(C)S(=O)(=O)c1ccc(-c2ccc(C=C(C#N)C#N)o2)cc1 16186289 DQVHSQREXJQJIE-UHFFFAOYSA-N 327.365 2.627 50 40 EFGB COc1ccc(/C=N/NC(N)=O)cc1OCc1ccc(Cl)cc1 566051 GBGHAPJAMHJTAU-DJKKODMXSA-N 333.775 2.930 50 40 EFGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(C)cc2)CC(=O)N1 9110519 CNDDFAJGSLBTQM-ZDUSSCGKSA-N 330.409 2.630 50 40 EFGB COc1ccc(C(=O)N/N=C/c2cn(CC#N)c3ccccc23)cc1 6027267 KLGNJJNJRMYISF-CIAFOILYSA-N 332.363 2.937 50 40 EFGB O=C(N/N=C\c1cccc(OCc2ccccc2)c1)c1cnccn1 30732488 KGSYWWKEFFKRRJ-UUYOSTAYSA-N 332.363 2.820 50 40 EFGB Cc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)CCl)cc1 30822901 LFBJDEUKLMOPKC-UHFFFAOYSA-N 338.816 2.973 50 40 EFGB C/C(CC(=O)Nc1cc(C)ccn1)=N\NC(=O)c1ccc(F)cc1 4697905 WCHJWJDNTAOTPJ-CIAFOILYSA-N 328.347 2.664 50 40 EFGB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/NNC(=O)CC(C)C 105984387 AKMYUAMRXBNKBO-NTEUORMPSA-N 334.807 2.613 50 40 EFGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2cccc(O)c2)cc1 59434276 YFTUYZYWLWCEQO-YBFXNURJSA-N 325.368 2.604 50 40 EFGB O=C(N/N=C/c1ccc(O)c(Br)c1)c1ccc(O)cc1 3574538 BFELAOUSWCVCRU-LZYBPNLTSA-N 335.157 2.624 50 40 EFGB Cc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1N1CCCC1 5818183 WRCVJTVNNLUOFU-QGZVFWFLSA-N 335.411 2.845 50 40 EFGB CN(C(=O)CCl)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 79392665 RKVBHPCFXVMRBC-CABCVRRESA-N 338.835 2.921 50 40 EFGB CCn1cc(-c2cc(C(=O)N/N=C/c3ccc(F)s3)no2)c(C)n1 252502795 UTCNYVXQQOTLNN-REZTVBANSA-N 347.375 2.831 50 40 EFGB COc1cccc(OCCCOc2ccc(/C=N/NC(N)=O)cc2)c1 4615035 LGXMPEVFRXHRPY-DEDYPNTBSA-N 343.383 2.545 50 40 EFGB O=C(CSc1ccccc1F)NNC(=O)c1ccc(F)c(F)c1 22647918 SYXWSISKHXJRJE-UHFFFAOYSA-N 340.326 2.657 50 40 EFGB COC(=O)c1ccc(C(=O)NNc2nc3c(F)cccc3s2)cc1 4121342 WGRZFNBYKZCUDK-UHFFFAOYSA-N 345.355 2.979 50 40 EFGB C/C(=N/NC(=O)c1ccc(CN2CCOCC2)cc1)c1cccs1 23382550 NMXWDFUSNSRSCX-RGEXLXHISA-N 343.452 2.734 50 40 EFGB O=C(NC[C@H]1CCCO1)NNC(=S)Nc1ccc2ccccc2c1 84605951 ILANVPAKWPFUCR-OAHLLOKOSA-N 344.440 2.519 50 40 EFGB O=C(CC(=O)Nc1cccc(Cl)c1)N/N=C\c1ccc(O)cc1 32923277 GVWIMFWDUSYRJX-ZDLGFXPLSA-N 331.759 2.525 50 40 EFGB CCOC(=O)[C@@H](/C(C)=N\NC(=O)Cc1ccc(OC)cc1)C(C)C 4508698 QZXZCCNDTXTMLL-MCRQTXEHSA-N 334.416 2.565 50 40 EFGB COc1ccc2nc(NNC(=O)COc3ccccc3)sc2c1 4121405 RDAXIHTWERGHHS-UHFFFAOYSA-N 329.381 2.827 50 40 EFGB Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 51719 SCAFMTIQVPMSAN-HXUWFJFHSA-N 349.390 2.552 50 40 EFGB C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C#N 118918423 SWAJIWWXRRYRDI-QMNUTNMBSA-N 329.440 2.744 50 40 EFGB COc1ccc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)c(OC)c1 408720163 VCQUOTKPKCCICZ-DAQNXSASSA-N 328.368 2.542 50 40 EFGB C[C@@H](CC(=O)[C@@H]1[C@@H](C)C=CCC1(C)C)NNC(=O)c1ccncc1 13777175 DFOMBGOIZRDJAG-ZQIUZPCESA-N 329.444 2.902 50 40 EFGB COC(=O)c1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1 5355401 HAOXFZQXUAIYPD-YBFXNURJSA-N 342.420 2.857 50 40 EFGB C/C(N)=C(/C#N)C(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 4485755 JFBRHXWAAWOOPA-NBVRZTHBSA-N 334.375 2.765 50 40 EFGB COC(=O)c1cc(-c2ccc(/C=C(/C#N)C(N)=O)o2)ccc1Cl 284900 PVCYOFKHQWILHY-POHAHGRESA-N 330.727 2.779 50 40 EFGB CCc1cc2c(C)cc(C)cc2nc1SCC(=O)NNC(C)=O 416753 FVAKRHPOLPBCOP-UHFFFAOYSA-N 331.441 2.673 50 40 EFGB CCCN(CCC)c1ccc(/C=N\NC(=O)c2cnccn2)cc1 28616257 KKTQQDNRHBKHOA-BKUYFWCQSA-N 325.416 2.867 50 40 EFGB COCc1[nH]nc2c1[C@@H](c1ccc(OC(C)C)cc1)C(C#N)=C(N)O2 4168086 QACJHTHTDPXXQB-HNNXBMFYSA-N 340.383 2.561 50 40 EFGB Cc1cc(C(=O)N/N=C\C=C\c2ccc(Cl)c([N+](=O)[O-])c2)[nH]n1 4679181 KBDILKOCHHABQY-UDZHYFPLSA-N 333.735 2.709 50 40 EFGB COc1cc(Cl)c(/C=N/NC(=O)c2ccccc2N)cc1OC 408591856 VRLBPCRNFSWEGW-DJKKODMXSA-N 333.775 2.703 50 40 EFGB Cc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1 5942905 VCHSTNXFNJXQBW-UHFFFAOYSA-N 340.404 2.772 50 40 EFGB CC(C)N(C(=O)CCl)[C@H]1CCN(C(=O)OCc2ccccc2)C1 79392701 RPCLHRABNSPQJY-HNNXBMFYSA-N 338.835 2.873 50 40 EFGB COc1cccc([C@@H](O)CNC(=O)[C@H](Br)C(C)(C)C)c1 96004356 ZICLAZWCSQPVEP-STQMWFEESA-N 344.249 2.654 50 40 EFGB Cc1nn(C)c(F)c1/C=N/NC(=O)COc1ccc(C(C)(C)C)cc1 252486143 HICCFJPRAUVSBY-KEBDBYFISA-N 346.406 2.694 50 40 EFGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 493315 KOWFEHKGHQIYAR-YBFXNURJSA-N 341.367 2.513 50 40 EFGB O=C(NNC(=O)c1ccccn1)c1cccc(OCc2ccccc2)c1 12746971 KPRXUGSJJQURMK-UHFFFAOYSA-N 347.374 2.735 50 40 EFGB CCc1ccc(/C(C)=N/NC(=O)CNC(=O)/C=C/c2ccco2)cc1 4587416 IQCYVFPSUWKQDB-QQQPHYRHSA-N 339.395 2.512 50 40 EFGB COCc1nn2c(=O)cc(CCl)[nH]c2c1-c1ccc(OC)cc1 100237498 WPTSOBDQPDBXFD-UHFFFAOYSA-N 333.775 2.583 50 40 EFGB CCN(CC)Cc1ccc(C(=O)NNC(=O)c2sccc2C)o1 48285607 COLILKGYGGBDLJ-UHFFFAOYSA-N 335.429 2.566 50 40 EFGB CCOc1ccc(CC(=O)N/N=C\c2cccc(OC)c2OC)cc1 408711916 QOMOIACGNPDMBD-MOSHPQCFSA-N 342.395 2.795 50 40 EFGB CN(C[C@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)CCl 79392650 JWCFVNKIKZBAKK-OAHLLOKOSA-N 338.835 2.875 50 40 EFGB Cc1ccc(OCC(=O)N/N=C/c2ccc(F)s2)c([N+](=O)[O-])c1 252494654 OBBBPAYYSSUDFN-FRKPEAEDSA-N 337.332 2.633 50 40 EFGB CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)o1 582006 MLCHEKOXDNOMFW-XDHOZWIPSA-N 342.399 2.848 50 40 EFGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccccc1C 369412 BVFDMDODONTGEE-YBFXNURJSA-N 328.368 2.785 50 40 EFGB C=CCn1c(SCC(=O)/C(C#N)=C(/C)N)nnc1C1CCCCC1 104353122 OWDRJQGIDJLXRQ-OWBHPGMISA-N 345.472 2.929 50 40 EFGB COC(=O)COc1cc(Br)c(/C=C/C#N)cc1OC 6735518 WMSRXPUHNNHGAL-ONEGZZNKSA-N 326.146 2.546 50 40 EFGB Cc1cc2ccccc2n1CC(=O)NNC(=O)c1ccccc1F 4677142 CLBQRUVTNFDSLI-UHFFFAOYSA-N 325.343 2.550 50 40 EFGB O=C(NN=C1CCCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1 6674136 INJBTZAGZGZDRS-UHFFFAOYSA-N 349.456 2.521 50 40 EFGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNc1ccc([N+](=O)[O-])cc1)CC2=O 4981679 QIMGWNHCXOHOAH-SJORKVTESA-N 331.372 2.823 50 40 EFGB CSCC(=O)NNC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 89995355 NYFNVOKYSNHRJZ-WDEREUQCSA-N 333.240 2.607 50 40 EFGB O=C1O[C@H]2[C@H]3[C@H]1[C@@H](C1CCCCC1)[C@H]3[C@H]2I 31667083 BFBGTVKDEVGNES-OJEYFTNHSA-N 332.181 2.788 50 40 EFGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1O 44292 ZLRQEUUDSUDAQT-YBFXNURJSA-N 336.351 2.555 50 40 EFGB Cc1ccc(N[C@@H]2SC(=O)N(CCBr)C2=O)cc1 12113055 CQEJBMXEUSXPNY-SNVBAGLBSA-N 329.219 2.823 50 40 EFGB CS(=O)(=O)SCCCCCCCCSS(C)(=O)=O 1606739 QJELQMUTDNOWHY-UHFFFAOYSA-N 334.550 2.713 50 40 EFGB in-vitro C/C(CC(=O)Nc1c(C)cc(C)cc1C)=N\NC(=O)c1cnccn1 4713828 UMTBHNWBYRUQQR-HYARGMPZSA-N 339.399 2.536 50 40 EFGB CNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccc(C)cc1 408706543 BBVVHJYPLBRCJX-KEBDBYFISA-N 344.802 2.588 50 40 EFGB O=C1[C@@H](Cl)O[C@](O)(Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]12Cl 37246285 BZGQLKJNISWUDN-WNJXEPBRSA-N 346.808 2.694 50 40 EFGB COc1cccc(CC(=O)N/N=C\c2cccn2-c2ccc(O)cc2)c1 409024061 SWWYEERIUVXVLP-STZFKDTASA-N 349.390 2.884 50 40 EFGB Cc1cccc(C)c1OCC(=O)n1cc(C(=O)NN)c2ccccc21 218737567 NLQRPJBFAGHKRP-UHFFFAOYSA-N 337.379 2.581 50 40 EFGB O=C(N/N=C/c1ccc(O)cc1)C(O)(c1ccccc1)c1ccccc1 115017 GNVNXZHZTNARFZ-PXLXIMEGSA-N 346.386 2.778 50 40 EFGB Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3cccs3)CC2=O)cc1 60557 CNBGSSMOLCPUGI-SGPNVBEDSA-N 327.409 2.560 50 40 EFGB CCO[Si](Cc1cc(OC)c(OC)c(OC)c1)(OCC)OCC 200523653 UEYQVSMWKXLBGB-UHFFFAOYSA-N 344.480 2.843 50 40 EFGB CCCc1n[nH]c2c1[C@@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 806424 NMMCSZJDTNJTNF-ZDUSSCGKSA-N 330.775 2.939 50 40 EFGB Cc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1 6504630 OZAVSZIYQNXBTK-UHFFFAOYSA-N 347.827 2.598 50 40 EFGB N#C/C(=C/c1ccccc1)C(=O)OCC(=O)NC1CCCCCC1 3270372 JPDLWSOZUKVCTH-VBKFSLOCSA-N 326.396 2.976 50 40 EFGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc[nH]1 58250090 TUNAPTWJAUNCCJ-UHFFFAOYSA-N 326.381 2.521 50 40 EFGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\c1ccc[nH]1)CO2 31849119 CISVJPXUQJEUAP-HSGPEQJXSA-N 327.384 2.602 50 40 EFGB O=C(N/N=C/c1ccc(Br)c([N+](=O)[O-])c1)c1ccccn1 32041 OXBNLBGFNTVNIM-LZYBPNLTSA-N 349.144 2.516 50 40 EFGB Cc1cc(Br)cc(/C=N/NC(=O)c2ccncc2)c1O 54611 UCZQULYDKGPBTI-CAOOACKPSA-N 334.173 2.622 50 40 EFGB CCOc1ccccc1OCC(=O)N/N=C/c1cccc(OC)c1 3310133 OAKVTTXOMMBOFF-XDHOZWIPSA-N 328.368 2.623 50 40 EFGB CCCOc1ccc(/C=N/NC(=O)c2sc(N)nc2C)cc1OC 13042863 XLEIDWFYGYVQSX-GIJQJNRQSA-N 348.428 2.595 50 40 EFGB COC(=O)COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1 408877304 UNAVOYOTCNAPON-VXLYETTFSA-N 346.770 2.656 50 40 EFGB NNC(=O)c1cc(-c2cccc(OCc3ccc(Cl)cc3)c2)n[nH]1 40217060 GJOWLYGTGMANNB-UHFFFAOYSA-N 342.786 2.913 50 40 EFGB CS(=O)(=O)[C@H](Br)[C@H](O)c1ccc(Cl)cc1Cl 96519044 PJXIQQOTULEVNB-BDAKNGLRSA-N 348.045 2.792 50 40 EFGB Cc1nc(N)sc1C(=O)N/N=C\c1c(O)ccc2ccccc12 4468255 HKCXMYPSEIWLJO-LSCVHKIXSA-N 326.381 2.656 50 40 EFGB CC[C@@H](Oc1ccccc1)C(=O)NNC(=O)c1cccc(Cl)c1 6541534 GCBUGTXKESAARH-OAHLLOKOSA-N 332.787 2.959 50 40 EFGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NC2CCCCCC2)cc1 6614033 NIMVJXLXZOQXOM-XSFVSMFZSA-N 343.427 2.541 50 40 EFGB O=C(Cn1c(-c2ccccc2)cc2ccccc21)NNC(=O)C1CC1 57485727 MHYVHAFZLAVLPF-UHFFFAOYSA-N 333.391 2.866 50 40 EFGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NNc1ccc([N+](=O)[O-])cc1)CC2=O 100834601 QIMGWNHCXOHOAH-IRXDYDNUSA-N 331.372 2.823 50 40 EFGB CC1(CC(=O)N/N=C/c2c(O)ccc3ccccc23)OCCCO1 408720199 ZHLXFPBYKUEJMS-XDHOZWIPSA-N 328.368 2.539 50 40 EFGB N#C/C(=C\c1cccc2c1OCCCO2)C(=O)Nc1nccs1 53103701 FGFORWMTHMMVRS-FMIVXFBMSA-N 327.365 2.850 50 40 EFGB COc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1 15225918 DWMRKRTXPGCGPW-SDXDJHTJSA-N 347.418 2.951 50 40 EFGB CCc1cccc(C(C)(C)C)c1NC(=S)N/C=C(/C#N)C(N)=O 102938615 KYFOIAWKPSURFK-BENRWUELSA-N 330.457 2.726 50 40 EFGB C/C(CCc1ccc2c(c1)OCO2)=N\NC(=O)c1sc(N)nc1C 42675931 WBOPHMAHXIVEDH-DJKKODMXSA-N 346.412 2.501 50 40 EFGB COc1ccc2ccccc2c1/C=C(\C#N)c1nc(N)nc(N(C)C)n1 10032753 YMCLPPHUNXXXSW-JLHYYAGUSA-N 346.394 2.746 50 40 EFGB CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2F)CC(=O)N1 9014837 ATYPCJBLKCMMQL-GFCCVEGCSA-N 348.399 2.851 50 40 EFGB CC(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)Cc1cccn1C 4505326 GAXWECDEWXSLDU-QDGYYMFPSA-N 325.368 2.502 50 40 EFGB COc1cc2c(cc1/C=N\NC(=O)c1ccc(C)cc1OC)OCO2 409103091 AJRDOJHQCSBNKT-OCKHKDLRSA-N 342.351 2.505 50 40 EFGB COc1cc(OC)c(/C=C(/C#N)C(=O)NC2CCCC2)c(OC)c1 409192147 UYNYOVXCXSBJTO-WQLSENKSSA-N 330.384 2.678 50 40 EFGB C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](C(=O)NNC(=O)c1ccncc1)(C3)C2 217771788 ZTSHSSNDOHFIHR-WPZIDLPSSA-N 327.428 2.839 50 40 EFGB COc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1cccc(F)c1 265932 IZVPKAYEILKXOK-VGOFMYFVSA-N 326.327 2.806 50 40 EFGB CN(C)c1ccc(/C=N/NC(=O)CCCc2ccc(O)cc2)cc1 5879015 INMWIRSJBPGKPF-XSFVSMFZSA-N 325.412 2.931 50 40 EFGB Cc1ccsc1[C@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)CCC2 109159 UATOIQQAKKKGEC-AWEZNQCLSA-N 328.441 2.633 50 40 EFGB CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccnc2)C(C#N)=C(N)O1 33057 UUGLDDDLQIXDDH-GOSISDBHSA-N 347.374 2.907 50 40 EFGB CCOc1ccccc1[C@@H]1C(C#N)=C(N)OC(CC)=C1C(=O)OC 1476116 MSZPFNZGJDFISN-OAHLLOKOSA-N 328.368 2.730 50 40 EFGB C=CCOc1ccc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)c(O)c1 4714596 QFAABZIKRYUSLO-ACRNLXFHSA-N 340.379 2.795 50 40 EFGB CC1(C)CC(=O)[C@@H](C(=O)/C=C/c2ccco2)C(=O)[C@H]1Br 104832379 UMCMRJQFKGPVLH-HGIUVPSYSA-N 339.185 2.810 50 40 EFGB O=C(Nc1ccc2c(c1)OCCO2)[C@@H](Cl)C(=O)c1ccccc1 100746084 LMNCJAHIESJBQC-HNNXBMFYSA-N 331.755 2.887 50 40 EFGB O=C(NNC1=Nc2cc([N+](=O)[O-])ccc2OC1)c1ccccc1Cl 6226958 NXGBXZUGIWYBGY-UHFFFAOYSA-N 346.730 2.605 50 40 EFGB C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)c1ccc(Cl)cc1 4844247 FVOFKRJEXYZNOJ-FYJGNVAPSA-N 343.814 2.805 50 40 EFGB C=CCOc1ccc(/C=N\NC(=O)COc2ccccc2)cc1OC 83318697 CAYLJMXERDUDPB-MOSHPQCFSA-N 340.379 2.789 50 40 EFGB Cc1cccc(OCC(=O)N/N=C/c2ccc(C(=O)O)cc2)c1C 565511 GUDUGZPBVUCXEA-VXLYETTFSA-N 326.352 2.531 50 40 EFGB CCCc1ccc(S(=O)(=O)NNC(=O)Nc2ccccc2)cc1 14116358 LGUSWKVUODPNCV-UHFFFAOYSA-N 333.413 2.654 50 40 EFGB CC(C)c1cc(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)n[nH]1 69706390 PFKSDZJWSSAXFM-UHFFFAOYSA-N 346.778 2.993 50 40 EFGB Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1Cl 409054301 ULQJLKPHCGMSFK-DJKKODMXSA-N 346.770 2.876 50 40 EFGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccc(Cl)cc1 409361592 HQGBRJFXNVUHDD-YBFXNURJSA-N 330.771 2.804 50 40 EFGB COc1cccc(C(=O)N/N=C\c2cc3c(cc2Cl)OCO3)c1 408880288 HBTQTROHCHXRIT-LSCVHKIXSA-N 332.743 2.841 50 40 EFGB CCN1CC=C2[C@@H](C1)[C@H](c1ccccc1F)C(C#N)=C(N)C2(C#N)C#N 33936202 VNTXAFWZFKDMMH-CRAIPNDOSA-N 347.397 2.571 50 40 EFGB Cc1cccc(N2C[C@H](C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2=O)c1 7929055 BFSNWBWRFUAEJU-CYBMUJFWSA-N 340.335 2.862 50 40 EFGB COC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(Br)ccc1F 13135430 XEOYYLQEIIZMPT-JTTRITNRSA-N 341.180 2.646 50 40 EFGB CCOC(=O)[C@H]1CCC/C1=N\NC(=O)CSCc1ccccc1 408719592 GWYQEGYMVMEIPA-ZWPWWNDZSA-N 334.441 2.755 50 40 EFGB COc1ccc2cc(/C=C/C(=O)NNC(=O)c3ccco3)ccc2c1 8238777 IOGYPFHAUOEUPA-WEVVVXLNSA-N 336.347 2.916 50 40 EFGB COc1cc2c(cc1/C=C(\C#N)C(=O)NCc1ccccc1)OCO2 409095963 DZXZSPHZZAOEEU-VIZOYTHASA-N 336.347 2.647 50 40 EFGB COc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)c(OC)c1OC 7067018 BZXGQWOHMJHEAB-RAXLEYEMSA-N 330.384 2.678 50 40 EFGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccccc1C 58558 HLWXUCVAGBFSHU-AWEZNQCLSA-N 332.787 2.859 50 40 EFGB O=C(C[C@@H]1Sc2ccccc2NC1=O)NNc1ccc(F)cc1 1652275 HWUGMQFMAKVBQO-AWEZNQCLSA-N 331.372 2.772 50 40 EFGB CCOC(=O)c1c(CC(C)C)csc1N/C(C)=C(/C#N)C(N)=O 105145322 RFVAPXGNTYSQBF-BENRWUELSA-N 335.429 2.818 50 40 EFGB C=CCOc1cccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c1 408598552 DEYLDBPQDCELQO-LDADJPATSA-N 325.324 2.924 50 40 EFGB Cn1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c2ccccc21 8144681 JBTBBNXPVQORDR-UHFFFAOYSA-N 341.798 2.835 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 75286503 BQACHJYGMYRHNU-VCHYOVAHSA-N 331.303 2.897 50 40 EFGB COc1ccc(O)c(/C=N/NC(=O)CNc2ccc(Cl)cc2)c1 223423 PYDWCWUDOLIOQQ-DJKKODMXSA-N 333.775 2.616 50 40 EFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1 8783661 FCHAMVWMYBGRNN-SFHVURJKSA-N 349.390 2.757 50 40 EFGB COC(=O)CSC1=C(C#N)[C@H](c2ccc(SC)cc2)CC(=O)N1 6440819 WNUDYBSQAFXDIY-LBPRGKRZSA-N 348.449 2.653 50 40 EFGB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N/N=C/c1ccc(F)cc1 3082251 GEYVGZKJZPCKPO-AYPRBGQRSA-N 343.358 2.591 50 40 EFGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(SC)cc2)cc1 59444405 AGFFCAQFONUKNT-WOJGMQOQSA-N 343.408 2.506 50 40 EFGB Cc1ccc(NCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1C 59720899 XWCJGXUCGIKCQW-VXLYETTFSA-N 326.356 2.774 50 40 EFGB C/C(CC(=O)NC(C)(C)C)=N\NC(=O)c1ccc2ccccc2c1O 100089424 RYYLOLNUJXBJIW-CIAFOILYSA-N 341.411 2.956 50 40 EFGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cccnc2)cc1OC 3335257 SBCDRLRBOKDBJV-KEBDBYFISA-N 343.770 2.520 50 40 EFGB COCc1c(C(=O)NNC(=O)Cc2cccs2)oc2ccccc12 9951187 QGAGOAUUTWIOQS-UHFFFAOYSA-N 344.392 2.644 50 40 EFGB C/C(CC(=O)Nc1cc(Cl)ccc1Cl)=N\NC(=O)CC#N 100059381 ZGXVHDYFYBVOAK-QGMBQPNBSA-N 327.171 2.728 50 40 EFGB C/C(=N\NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C)c1ccccc1 4154757 QNTPGGVVWCGXNL-LUJYGJGBSA-N 337.423 2.981 50 40 EFGB CCCCOC(=O)COC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1 96797970 DGELFWCXEWHBRT-PTNGSMBKSA-N 330.384 2.546 50 40 EFGB CCCCOC(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21 59472611 KHZIOPNOFZDUOH-UHFFFAOYSA-N 340.177 2.632 50 40 EFGB Cc1ccccc1C(=O)N1CCC(C(=O)N/N=C/c2ccccc2)CC1 409004915 GBMCYHLAJJJSHM-PXLXIMEGSA-N 349.434 2.998 50 40 EFGB O=C(CCC(=O)N/N=C/[C@H]1CC=CCC1)N/N=C/[C@@H]1CC=CCC1 17067811 NWGWLEORVGCBRU-FVRQNWKXSA-N 330.432 2.683 50 40 EFGB CCn1ncc(/C=N/NC(=O)c2ccc(Br)cc2)c1F 252482051 CXEFJERPBWKNGB-FRKPEAEDSA-N 339.168 2.569 50 40 EFGB CC[C@@H]1S/C(=C(/C#N)C(=O)NC)N(c2ccc(Cl)cc2)C1=O 2344168 LEFNURAOXRNMBB-CMHHUMAZSA-N 335.816 2.680 50 40 EFGB Cc1cc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[nH]n1 1021833 NPAWYZWGDIGHBO-RQZCQDPDSA-N 339.311 2.650 50 40 EFGB Cc1ccc(N2C[C@H](C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 100399271 QHSZZECHINCJSZ-CYBMUJFWSA-N 340.335 2.862 50 40 EFGB Cc1ccc(NNC(=O)c2cccnc2N2CCOCC2)cc1Cl 30546240 MLMMGPAFRUNFLU-UHFFFAOYSA-N 346.818 2.637 50 40 EFGB CC(C)=C(NC(=O)c1ccccc1)C(=O)N/N=C/c1ccc(O)cc1 4855225 QYHZJBJEDMAQNK-UDWIEESQSA-N 337.379 2.566 50 40 EFGB C=CCOc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 3127356 VVGFEOIIUZEGAR-LDADJPATSA-N 325.324 2.924 50 40 EFGB Cc1c(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] 58871253 NAOHTMBDFAVZLC-CXUHLZMHSA-N 328.284 2.575 50 40 EFGB N#C/C(=C\c1ccc(OCC(F)F)cc1)C(=O)NC[C@H]1CCCO1 98013309 XUZLDTQRDJALJP-XETPBLJFSA-N 336.338 2.533 50 40 EFGB COc1ccc(CC(=O)N/N=C\c2cn(CC#N)c3ccccc23)cc1 409382928 YGRIHJDFPBTKGC-XKZIYDEJSA-N 346.390 2.866 50 40 EFGB Cc1cc(/C=N/NC(N)=O)c(C)n1-c1sc2c(c1C#N)CCCC2 37507 IZVZEXIITBYABJ-AWQFTUOYSA-N 341.440 2.908 50 40 EFGB OB(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1857795124 NRFUTAIWNNLFDP-UHFFFAOYSA-N 334.180 2.524 50 40 EFGB COc1ccc(-c2n[nH]c3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)cc1 6157005 KNUFPSVBRUQPCF-OAHLLOKOSA-N 345.362 2.698 50 40 EFGB COc1cc(OC)c(/C=N\NC(=O)Cc2ccc(F)cc2)c(OC)c1 111669291 OAHQTJHVNUAXJR-JAIQZWGSSA-N 346.358 2.544 50 40 EFGB CC(C)Cn1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cn1 253400865 MBRPAJYEFCHHOR-INIZCTEOSA-N 340.427 2.990 50 40 EFGB C/C(=N\NC(=O)COc1ccccc1C)c1ccc2c(c1)OCCO2 16362992 KSRNBOYYOJJNPZ-XSFVSMFZSA-N 340.379 2.685 50 40 EFGB Cc1ccc(CSCC(=O)N/N=C2\C(=O)Nc3ccccc32)cc1 59473321 BWZTXQLYGRNUOC-UHFFFAOYSA-N 339.420 2.701 50 40 EFGB CCCCN1C(=O)/C(=N\NC(=O)Cc2ccccc2)c2ccccc21 13618127 LVLJJUGOOFDYLL-QOCHGBHMSA-N 335.407 2.896 50 40 EFGB COc1cccc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)c1 7765188 VHQNJSRZLONAQV-CQSZACIVSA-N 342.395 2.541 50 40 EFGB O=C(C[C@H]1C=CCC1)NNC(=O)c1ccc(F)cc1Br 48736398 ZOMWWLUBZFPGIE-VIFPVBQESA-N 341.180 2.706 50 40 EFGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1O 4506807 YOQPEICASGZLEE-WMZJFQQLSA-N 339.189 2.595 50 40 EFGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(-n2ccnc2)cc1 17072358 PMBZNULLJCWATA-FYJGNVAPSA-N 348.362 2.755 50 40 EFGB COc1cc(NC(=S)NNC(=O)CC(C)C)c(OC)cc1Cl 8684114 ZPLXIFFLFXTUEJ-UHFFFAOYSA-N 345.852 2.721 50 40 EFGB CCOc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccn2)ccc1O 188504 DGEVAJSNMOTKHT-ZGXHQARYSA-N 345.424 2.817 50 40 EFGB C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc2c(c1)OCO2 218607 WNLOOSQFRDALLL-LOMXTUQMSA-N 346.770 2.986 50 40 EFGB COc1ccc(O)c(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 3162125 MHQAOMRDKGVGKG-VSMYLPJWSA-N 348.786 2.972 50 40 EFGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1cccc(O)c1 20086661 YYOOLLBVAQZBIO-HNNXBMFYSA-N 344.326 2.533 50 40 EFGB Cc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] 568846 DTRIHGSSXVFGAN-UHFFFAOYSA-N 333.731 2.631 50 40 EFGB C/C(N)=C(\C#N)C(=O)COC(=O)Cc1coc2ccc3ccccc3c12 104743908 TUVCYGYYXSOAJF-VBKFSLOCSA-N 348.358 2.997 50 40 EFGB CC[C@@H](Br)C(=O)NCCC(=O)Nc1ccc(F)c(C)c1 8733239 UITQLUXRQNJVCY-LLVKDONJSA-N 345.212 2.752 50 40 EFGB C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)c2cccc(O)c2)o1 84688931 SETOCIGDGQRTFG-NHYWBVRUSA-N 328.368 2.502 50 40 EFGB O=[P@]1(N(CCCl)CCCl)NCC[C@H](C(F)(F)F)O1 101150960 KJCIGHRTQNBIGS-LWESTGQBSA-N 329.086 2.815 50 40 EFGB O=C(NNc1cccc(Cl)c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 46081174 VDJPHLKFINMUDS-CQSZACIVSA-N 343.814 2.832 50 40 EFGB COc1ccc(/C(C)=N\NC(=O)c2ccc3c(c2)OCO3)cc1OC 4739497 LGZPSQXRINTFHJ-ODLFYWEKSA-N 342.351 2.587 50 40 EFGB O=C(NNC(=O)c1c2c(nc3ccccc13)CCCC2)c1ccco1 8117984 JKLJOYIILLILAX-UHFFFAOYSA-N 335.363 2.781 50 40 EFGB CCCNC(=O)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 409123115 DWTMXEWILABMOQ-LPYMAVHISA-N 333.391 2.969 50 40 EFGB CN(C[C@@H]1CCCN(C(=O)CCl)C1)C(=O)OCc1ccccc1 79411855 FUFNBCMLEVZCEH-HNNXBMFYSA-N 338.835 2.732 50 40 EFGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1ccc(O)cc1 100213817 ZDKYVWRNATURHG-HNNXBMFYSA-N 344.326 2.533 50 40 EFGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc([N+](=O)[O-])cc1 59921483 YGVUVAKEJXJJJF-GZTJUZNOSA-N 342.311 2.965 50 40 EFGB N#CC(/C=C1\Nc2ccccc2C1=O)=C(/N)NCCc1ccccc1 57287843 GVKZFBIWLZGQEQ-SMLAIHFBSA-N 330.391 2.705 50 40 EFGB CCC[C@@H](C(=O)OCC)/C(C)=N/NC(=O)Cc1ccc(OC)cc1 4508702 NSKOHTKCQHRJCQ-CXDFQFJYSA-N 334.416 2.709 50 40 EFGB COc1cccc(C(=O)N/N=C(\CCC(=O)O)c2ccccc2)c1 4646779 TXVICVKZBCGZMF-KNTRCKAVSA-N 326.352 2.694 50 40 EFGB O=C(NNc1ncnc2c1cnn2-c1ccccc1)c1ccccc1 549237 QIFDHXXKXVYIIH-UHFFFAOYSA-N 330.351 2.572 50 40 EFGB CN1C(=O)/C(=N\NC(=O)c2cc3c(s2)CCCC3)c2ccccc21 101644237 AHPRZZJADYACOW-MNDPQUGUSA-N 339.420 2.737 50 40 EFGB C[C@H](OC(=O)c1ccccc1O)C(=O)C(C#N)=C1Nc2ccccc2N1 9155802 ZECHEHUBDCOQFT-NSHDSACASA-N 349.346 2.779 50 40 EFGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc(-c2ccccc2)n[nH]1 5323571 LHDNPUFZTLYZMT-VXLYETTFSA-N 334.335 2.569 50 40 EFGB O=C(N/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 4676054 RWGWZBZLLCBGCR-CPNJWEJPSA-N 338.367 2.959 50 40 EFGB Cc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 5618275 DVYHPDSVCLTXAX-CXUHLZMHSA-N 328.284 2.575 50 40 EFGB Cc1c(Br)c(=O)oc2c3c(ccc12)O[C@@H](Cl)C(=O)N3 3849503 IWDNMRWGISELJP-SNVBAGLBSA-N 344.548 2.760 50 40 EFGB biogenic CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc([N+](=O)[O-])ccc1Cl 62511 DUXRWCAYEDSCKM-AWEZNQCLSA-N 333.731 2.919 50 40 EFGB O=C(CCC(=O)c1cccs1)NNC(=O)c1ccccc1Cl 3612378 YCBLEVXISSYPSB-UHFFFAOYSA-N 336.800 2.826 50 40 EFGB COc1cc(C)ccc1C(=O)N/N=C/c1cccc(OC)c1OC 979567 KKXFVDGSZYACOQ-YBFXNURJSA-N 328.368 2.785 50 40 EFGB CC1(C)[C@]2(C(=O)NNc3ccc([N+](=O)[O-])cc3)CC[C@@]1(C)C(=O)C2 9012068 QIMGWNHCXOHOAH-DLBZAZTESA-N 331.372 2.823 50 40 EFGB COc1ccc2c(CC(=O)NNC(=O)c3cccs3)coc2c1 6787826 BKALGHFUTXZFIK-UHFFFAOYSA-N 330.365 2.507 50 40 EFGB Cc1oc(/C=N/NC(=O)COc2ccccc2)cc1Br 408859246 RKBPPEKCJVMIID-LZYBPNLTSA-N 337.173 2.880 50 40 EFGB O=C(N/N=C\c1ccc(Br)s1)c1cccc(O)c1 38761259 SLIWLAHVNLLTHU-AUWJEWJLSA-N 325.187 2.980 50 40 EFGB COc1cc(/C=N\NC(=O)COc2cccc(C)c2C)ccc1O 30774266 CPXXDUIPJZSORU-GRSHGNNSSA-N 328.368 2.547 50 40 EFGB Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 568844 LEWBBVWVLRQAHG-UHFFFAOYSA-N 333.731 2.631 50 40 EFGB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=O)Cc1ccccc1 12849166 PUVCGYXQIBOOLS-ZDUSSCGKSA-N 346.814 2.806 50 40 EFGB CCOC(=O)c1c(NC(C)=O)sc2c1CC[C@H](SC#N)C2=O 3901869 PKJWQXPBYWZSGK-VIFPVBQESA-N 338.410 2.595 50 40 EFGB Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)c1 409366428 UZZJNWCIMZZDQO-ZDLGFXPLSA-N 327.340 2.610 50 40 EFGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)c([N+](=O)[O-])c2)cc1 213169966 LZUCNVVLJKBQBY-WQLSENKSSA-N 339.307 2.855 50 40 EFGB CCOC(=O)/C(C#N)=C/c1ccc(N2C(=O)c3ccccc3C2=O)cc1 171049 XXNZKYNQRMMBCS-SDNWHVSQSA-N 346.342 2.957 50 40 EFGB CCOc1ccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1 581715 HWXWUCRHYBPETG-XDHOZWIPSA-N 328.368 2.866 50 40 EFGB Cc1cccc(C(=O)N[C@H](C(=O)N/N=C\c2cccs2)C(C)C)c1 4544266 AOWDGGDPOBYETC-YLRSXTQRSA-N 343.452 2.961 50 40 EFGB COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)c(OC)c1 59922490 CLHUKQPNCXSCCR-VCHYOVAHSA-N 343.339 2.684 50 40 EFGB CCCCCC(=O)NNC(=O)[C@H](C)Nc1nc2ccccc2s1 13010212 KYOILYYGBZWRAM-NSHDSACASA-N 334.445 2.824 50 40 EFGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(OCC)c1 4167789 DUZBFXLFVAQZLK-MRXNPFEDSA-N 340.383 2.734 50 40 EFGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(O)cc2O)[C@@H]2CCCC=C12 33374672 JAHTWFDUIDEBRM-DYVFJYSZSA-N 332.363 2.691 50 40 EFGB CCN(C(=O)CCl)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79392678 XOPFUXGCQQFAKA-HNNXBMFYSA-N 338.835 2.875 50 40 EFGB Cc1ccc(OCC(=O)N/N=C(\CCC(=O)O)c2ccccc2)cc1 4036712 VAZLCKCMCWZYBU-LVZFUZTISA-N 340.379 2.759 50 40 EFGB CCOc1ccc(/C=N\NC(=O)c2ccc(C)nc2)cc1OCC 30803177 WDKVUUHEYSMBSX-JAIQZWGSSA-N 327.384 2.951 50 40 EFGB C/C(=N\NC(=O)CSc1nc2ccccc2n1C)c1cccnc1 4746470 XNRXRFXOLUQNNI-UDWIEESQSA-N 339.424 2.601 50 40 EFGB C[C@@H](Oc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1)C(=O)O 5017880 NDVFHVHQMUZBJG-LKKYZFDUSA-N 342.395 2.894 50 40 EFGB CCc1ccc(OCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 5247981 RISXLHCWXRCROG-DEDYPNTBSA-N 325.412 2.844 50 40 EFGB Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)c3ccccc3)cc2)n1 2660870 GTVYPWVUGSOZED-UHFFFAOYSA-N 334.379 2.564 50 40 EFGB COc1ccc(CBr)cc1B1OC(C)(C)C(C)(C)O1 521399036 BDJMYOBPWARCTK-UHFFFAOYSA-N 327.027 2.889 50 40 EFGB CCOc1ccc(/C=N/NC(=O)CNc2ccccc2)cc1OC 5333066 YJNWMFQWYXXQEA-UDWIEESQSA-N 327.384 2.656 50 40 EFGB O=C(NNc1cccc(Cl)c1)[C@@H]1CCCN(C(=O)c2ccco2)C1 30615474 HTZPRVYRHCQUJB-GFCCVEGCSA-N 347.802 2.929 50 40 EFGB N#C/C(=C\c1cc(Br)cs1)C(=O)NC[C@H]1CCCO1 450612 BDAPDBDCDFZJJM-VCFDLTMXSA-N 341.230 2.713 50 40 EFGB CC(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 58822638 GUJJPUBBQPFZFX-CXUHLZMHSA-N 344.283 2.765 50 40 EFGB N#CC1=C(N)SC(N)=C(C#N)C1c1cccc(Br)c1 19597295 IXYXNYYALIOGRW-UHFFFAOYSA-N 333.214 2.667 50 40 EFGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cccc(Cl)c1 409082640 SYXHPVBQSWOQHG-UFWORHAWSA-N 331.759 2.631 50 40 EFGB CC(=O)Oc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 408789163 KEMZALGTOQCQGS-VCHYOVAHSA-N 341.323 2.592 50 40 EFGB COc1ccc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc1[N+](=O)[O-] 408567748 PMOYLSUWSWEKDK-YBFXNURJSA-N 341.367 2.913 50 40 EFGB CC(C)/N=C1\S[C@@H]2CS(=O)(=O)[C@H](Br)[C@]2(C)S1 100847194 LGLVMTROHNJGDS-JRNBWSBGSA-N 344.321 2.508 50 40 EFGB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccncc2)C(C#N)=C(N)O1 59931 WFIFXEKKYXMBOT-GOSISDBHSA-N 347.374 2.907 50 40 EFGB Nc1ccccc1C(=O)N/N=C/c1c(F)c(F)c(F)c(F)c1F 6896500 DSOSJTPGIKBGCR-IGCPIRJNSA-N 329.228 2.728 50 40 EFGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)N(C)C)o1 59334575 NDCGBDBKWGBCSV-FLIBITNWSA-N 341.323 2.859 50 40 EFGB Cc1cccc2sc(NNC(=O)[C@H]3COc4ccccc4O3)nc12 429756 NCQDKSXGONJCIX-CYBMUJFWSA-N 341.392 2.888 50 40 EFGB Cc1cccc(O[C@@H](C)C(=O)NN=Cc2ccc(N(C)C)cc2)c1 6632143 AGTQVAFLKQXZKB-HNNXBMFYSA-N 325.412 2.979 50 40 EFGB CCCc1[nH]nc2c1[C@@H](c1cc(OC)cc(OC)c1)C(C#N)=C(N)O2 5075343 RMBDFVAOIGVTPD-HNNXBMFYSA-N 340.383 2.598 50 40 EFGB COC(=O)c1ccc(/C=N/NC(=O)/C=C/c2ccc(OC)cc2)cc1 409061052 ZTWYXCLHYHZXSC-BDPZUMOYSA-N 338.363 2.645 50 40 EFGB O=C(N/N=C/c1ccc(-c2ccccc2C(=O)O)o1)c1cccnc1 408972913 HQNABFUYLJVZIN-RGVLZGJSSA-N 335.319 2.804 50 40 EFGB O=C(CBr)NC[C@@H](OCC1CC1)c1ccccc1F 95097948 LRPSJEHTDPFCLS-CYBMUJFWSA-N 330.197 2.805 50 40 EFGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2O)cc1OC 5351196 XRMCULGJKPQEPE-NVMNQCDNSA-N 334.759 2.827 50 40 EFGB CC1(C)CC(=O)C2=C(C1)O[C@H](c1ccc3c(c1)OCO3)C(C#N)=C2N 177354 NAKKXWNHDBUKGK-GOSISDBHSA-N 338.363 2.866 50 40 EFGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 12403592 XZHJVXDDWBHXGD-MHWRWJLKSA-N 328.284 2.657 50 40 EFGB CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2CCCc3ccccc32)c1 12539336 MQNTZBGFICTZSZ-GOSISDBHSA-N 337.423 2.634 50 40 EFGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2cccs2)cc1C 2134314 FPBHTVLPJABLAR-UHFFFAOYSA-N 345.424 2.545 50 40 EFGB Cc1c(C(=O)C(=O)NNC(=O)c2ccccc2)sc2ccccc12 65623660 YFNMHHUKLBFGPY-UHFFFAOYSA-N 338.388 2.854 50 40 EFGB Cc1cc(/C=N/NC(N)=O)c(C)n1-c1ccccc1Br 408995935 FUUISBVGYZMRLG-CAOOACKPSA-N 335.205 2.859 50 40 EFGB CCCCC(=O)NN/C=C1/C(=O)N(c2ccc(C)c(C)c2)N=C1C 98087115 BJZXRFQHBXTTSV-LFIBNONCSA-N 328.416 2.721 50 40 EFGB C#CCn1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c2ccccc21 487228 CZUQNPSWAYXBPE-SRZZPIQSSA-N 345.358 2.767 50 40 EFGB CCCCc1cc(C(=O)OC/C(C)=N\NC(N)=O)c2ccccc2n1 17312050 CACZAZICKZOMNX-MTJSOVHGSA-N 342.399 2.778 50 40 EFGB CCOC(=O)c1sc(Br)nc1CBr 167308660 FJYMCHJJYZQLFK-UHFFFAOYSA-N 329.013 2.977 50 40 EFGB COc1ccc([C@H]2[C@H]3CCC=C3C(C#N)=C(N)C2(C#N)C#N)c(OC)c1 20247344 SBIMLFLLINPJFB-KBXCAEBGSA-N 346.390 2.907 50 40 EFGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(F)cc2)[C@@H]2CSCC=C12 20026736 OWRZYFCVHSQAEN-HZPDHXFCSA-N 336.395 2.982 50 40 EFGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccccc1C 58557 HLWXUCVAGBFSHU-CQSZACIVSA-N 332.787 2.859 50 40 EFGB COc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)ccc1O 30802333 VZZGWYRWKJURFN-NVMNQCDNSA-N 334.759 2.583 50 40 EFGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)OCC(=O)N1CCCCC1 3280351 FMOYEWQIOOXNNE-GXDHUFHOSA-N 332.787 2.803 50 40 EFGB CC(C)CNC(=O)CC(=O)N/N=C/c1c(Cl)cccc1Cl 59515332 WJFTWWQHDHVRSK-QGMBQPNBSA-N 330.215 2.606 50 40 EFGB Cc1ccc(C)n1-c1sccc1C(=O)NNC(=O)c1ccco1 12814093 MQPDGUUCXCTRSM-UHFFFAOYSA-N 329.381 2.823 50 40 EFGB Cc1ccc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2O)cc1 6199279 OPEZISGFYMRDPY-UDWIEESQSA-N 334.379 2.959 50 40 EFGB O=C(NC(NC(=O)c1ccccc1)C(Cl)Cl)c1ccccc1 5515557 PPZNTOIMENCGGI-UHFFFAOYSA-N 337.206 2.976 50 40 EFGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(C)o2)c(OC)c1 408874700 FLIHYNVPCCTOHI-RIYZIHGNSA-N 326.352 2.829 50 40 EFGB CCOc1ccc(C(=O)n2c(C)c(C(=O)NN)c3ccccc32)cc1 216957816 VUDGWGXWGKWRCA-UHFFFAOYSA-N 337.379 2.640 50 40 EFGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc2c(c1)OCO2 218618 WNLOOSQFRDALLL-YXZFXQPTSA-N 346.770 2.986 50 40 EFGB COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1C 582963 HDNCMDHTVLAIKV-YBFXNURJSA-N 325.368 2.726 50 40 EFGB COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCC(N)=O 6170123 SHQDSNUGFYBQBC-JYRVWZFOSA-N 326.327 2.763 50 40 EFGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(N(C)C)cc2)c1 566329 OZTHHBUXSVNGRL-UDWIEESQSA-N 325.412 2.899 50 40 EFGB O=C(CC(=O)N/N=C/c1cccc(Cl)c1)NCCc1ccccc1 59516029 PFDBZZBNDVMDIF-FYJGNVAPSA-N 343.814 2.539 50 40 EFGB CCCSC1=C(C#N)[C@@H](c2ccccc2)[C@@H](C(=O)OC)C(=O)N1 409145015 PSRTYEFFPKOQPD-ZIAGYGMSSA-N 330.409 2.568 50 40 EFGB C#CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC 13914996 OJFUCSLIHKSYAW-PDGQHHTCSA-N 346.386 2.931 50 40 EFGB C/C(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=N/NC(=O)[C@H]1CC12CCC2 4587825 PQVDPFLEIKWYQB-AXLWCPOOSA-N 344.371 2.606 50 40 EFGB Cc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2)cc1 320293 QAVUYKKDSUJMHN-UHFFFAOYSA-N 334.375 2.988 50 40 EFGB O=C(C=C1CCCCC1)NNC(=O)c1cc(-c2ccccc2)on1 55981318 DYSWTNNTDWGUTC-UHFFFAOYSA-N 325.368 2.993 50 40 EFGB CCOC(=O)C1=C(C)OC(O)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 107722017 ZZHBVANFZFQRCM-AWEZNQCLSA-N 330.296 2.839 50 40 EFGB CCOC(=O)NNC(=O)c1ccc(N2CCc3ccccc3C2)cc1 64023188 RYOTYXMQNNJIGV-UHFFFAOYSA-N 339.395 2.640 50 40 EFGB O=C(Cc1ccc(Br)cc1)N/N=C\c1ccc(O)cc1O 13595628 FPFISLNOSCUBES-MFOYZWKCSA-N 349.184 2.553 50 40 EFGB COc1ccc(/C=N/NC(=O)CN2Cc3cc(C)c(C)cc3C2)cc1 8336793 ANZIJGWHYUGRKK-UFFVCSGVSA-N 337.423 2.778 50 40 EFGB CCOc1ccc(C(=O)NNC(=O)c2ccccc2)cc1OCC 516595 HQACWKFNXRXIPG-UHFFFAOYSA-N 328.368 2.559 50 40 EFGB COC(=O)NNC(=O)N(Cc1ccco1)c1ccc(F)cc1F 56675816 PDVHUSDEAGXWKR-UHFFFAOYSA-N 325.271 2.545 50 40 EFGB COc1cc(OC)cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)C)c32)c1 4631563 MUFJBWWUQPAZDK-AWEZNQCLSA-N 340.383 2.768 50 40 EFGB Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)Cc1ccccc1 409101680 QJNGJDKYOXEHPR-RCCKNPSSSA-N 337.423 2.524 50 40 EFGB Cc1nc(C(=O)N/N=C/c2ccc3c(c2)OCC(C)(C)CO3)co1 225370713 AWORRGICRSDUJW-CNHKJKLMSA-N 329.356 2.544 50 40 EFGB CCC[C@@H](Br)C(=O)NCCC(=O)Nc1cccc(F)c1 8733098 LMSLSNYQAXEJPS-GFCCVEGCSA-N 345.212 2.834 50 40 EFGB O=C(NNc1ccc(F)cc1)c1cn(-c2ccccc2Cl)nn1 58792225 PBPCGRBTNPBWPC-UHFFFAOYSA-N 331.738 2.817 50 40 EFGB Cc1cccc(OCC(=O)N/N=C\c2c(C)cc(O)cc2O)c1C 9195978 UOJZNDCDQGHZSA-OCKHKDLRSA-N 328.368 2.552 50 40 EFGB O=C(N/N=C/c1ccccc1Cl)[C@@H]1CC(=O)N(c2ccccc2)C1 409164857 OSGUPRRZQSHYIC-XLTHYULKSA-N 341.798 2.843 50 40 EFGB COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(C(C)C)cc1 59515509 YAPVWMFKSSXBPW-UDWIEESQSA-N 339.395 2.907 50 40 EFGB O=C(N/N=C/c1ccccc1Cl)[C@H]1CC(=O)N(c2ccccc2)C1 409164856 OSGUPRRZQSHYIC-HXJASHHUSA-N 341.798 2.843 50 40 EFGB COc1ccc(C(=O)N/N=C/c2cc(OC)c(OC)cc2C)cc1 408549664 WLRRVMBOLMPVIC-YBFXNURJSA-N 328.368 2.785 50 40 EFGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 485195 MSZWRVXXNWSFNR-WOJGMQOQSA-N 340.339 2.707 50 40 EFGB COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OC(C)C 247357 VPOZAAPJGZXFCE-HTRKUNOGSA-N 344.411 2.685 50 40 EFGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(OC(F)F)cc1 3237142 HNQILEVJXXMMEQ-ZVBGSRNCSA-N 337.301 2.989 50 40 EFGB CSc1ccc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1 59444310 YEOQTCJVMUSPNW-HCZVKUGISA-N 341.436 2.736 50 40 EFGB O=C(CC1CCCC1)NNC(=O)c1ccc(Br)cc1 3612147 NNISZKRXAPJZTB-UHFFFAOYSA-N 325.206 2.790 50 40 EFGB Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1 6382605 VSHXHSCUVSMUNW-KAKTVLCNSA-N 336.395 2.587 50 40 EFGB CC(C)NC(=O)/C(C#N)=C/c1cnc2ccc(Br)cn12 96295464 PHFDRYHEYMQSNE-BJMVGYQFSA-N 333.189 2.528 50 40 EFGB O=C(NNC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccccc1 48383681 AMFITGBRFQPASL-UHFFFAOYSA-N 349.346 2.607 50 40 EFGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1 3211509 LLXFCYBDRDKZNT-LZYBPNLTSA-N 348.702 2.920 50 40 EFGB O=C(N/N=C(/CC(=O)C(F)(F)F)C(F)(F)F)c1ccccc1O 5583581 OBLOOEHUEZLFHZ-UWVJOHFNSA-N 342.195 2.562 50 40 EFGB Cc1cc(/C=C(\C#N)C(=O)N(C)C)c(C)n1-c1ccc2c(c1)OCO2 4663070 AKROENKTNMFACB-OVCLIPMQSA-N 337.379 2.818 50 40 EFGB COc1ccccc1OCCOc1ccc(/C=C(\C#N)C(N)=O)cc1 41082789 HKBWPYZIWATKHP-NTCAYCPXSA-N 338.363 2.545 50 40 EFGB N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@H]1c1ccc(-c2ccccc2)cc1 18046665 OCZVBBSIRDUDJH-INIZCTEOSA-N 342.358 2.655 50 40 EFGB CCC[C@@]12OC(=O)C(=O)N1c1ccc(Cl)nc1S[C@H]2Cl 2274396 HPAZFOSJDKPTLM-NEPJUHHUSA-N 333.196 2.792 50 40 EFGB O=C(COc1cccc2ccccc12)NNC(=O)Cc1ccccc1 142670 PHPUEIGNTUDXKI-UHFFFAOYSA-N 334.375 2.609 50 40 EFGB C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C1/C(=O)Nc2ccccc21 2802031 IITHTBVBMHEQDM-JTQLQIEISA-N 343.770 2.580 50 40 EFGB O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])c2cccnc12)C(F)(F)F 3150019 JZWAULHICHITCF-UHFFFAOYSA-N 331.162 2.519 50 40 EFGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1 8812068 JHACBFGQXLSKMX-RGVLZGJSSA-N 344.342 2.532 50 40 EFGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1c[nH]c2ccccc12 3474188 UZSLAUWLNAFBHX-LPYMAVHISA-N 348.406 2.768 50 40 EFGB NC(=O)N/N=C1/CC[C@](C(=O)Nc2ccccc2)(c2ccccc2)C1 4752239 VPJMLDJFQZKGJQ-OSEFQUDUSA-N 336.395 2.771 50 40 EFGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)C)c32)cc1OC 34749 KIYGYXUZXZJQGS-AWEZNQCLSA-N 340.383 2.768 50 40 EFGB N[C@]1(C(=O)O)CCCc2ccc(N(CCCl)CCCl)cc21 1691288 YZYCOKZOWIFJQP-OAHLLOKOSA-N 331.243 2.546 50 40 EFGB O=C(Cc1cn2ccsc2n1)N/N=C/c1ccc2ncccc2c1 3251762 HVEYYSFUEDCYDA-VXLYETTFSA-N 335.392 2.637 50 40 EFGB Cc1cc(C(=O)NNC(=O)N[C@@H](C)CCc2ccccc2)c(C)o1 48309907 WMJXCZNJPFBYOA-LBPRGKRZSA-N 329.400 2.862 50 40 EFGB O=C(NNC(=O)c1ccc(SC(F)(F)F)cc1)c1ccncc1 12986286 XKISOIVXXFTDTC-UHFFFAOYSA-N 341.314 2.768 50 40 EFGB O=C(CCCc1nc2ccccc2s1)NNC(=O)c1ccco1 13004615 WRXDNFFLDNGEPO-UHFFFAOYSA-N 329.381 2.673 50 40 EFGB Cc1cccc(C(=O)N/N=C\c2cc(Br)c(O)cc2O)c1 408953675 MHZCXNVNISXYLF-IUXPMGMMSA-N 349.184 2.933 50 40 EFGB C/C(=N\NC(=O)CNc1ccccc1C)c1ccc([N+](=O)[O-])cc1 261634 BQSPTKOCATYXNO-CPNJWEJPSA-N 326.356 2.856 50 40 EFGB CCOC(=O)C1=C(C)OC(O)=C(C#N)[C@@H]1c1ccc(OC)c(OC)c1 6206027 CBTMSSVAEQDUJG-INIZCTEOSA-N 345.351 2.948 50 40 EFGB CCc1c(C(=O)NNC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)csc1C 102242141 OLYVILMCKRBCMW-JTNHKYCSSA-N 337.514 2.916 50 40 EFGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1cccc(O)c1 59516189 WPZKURMOYHGCEN-QGMBQPNBSA-N 328.759 2.766 50 40 EFGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc2c(c1)OCCO2 3361876 IKMHZACELHTCHM-VXLYETTFSA-N 346.770 2.640 50 40 EFGB CNc1ccc(/C=N/NC(=O)c2ccc3ccccc3n2)cc1[N+](=O)[O-] 45329886 BHRPVJXWKRZHNA-RGVLZGJSSA-N 349.350 2.949 50 40 EFGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)o1 408799592 HDEQJWJHZLUTPZ-PBYBUVHISA-N 343.427 2.718 50 40 EFGB N#C/C(=C\N1CCN(c2ccccc2)CC1)C(=O)NCc1ccccc1 7572359 PDCVLIXMHMSZSD-HTXNQAPBSA-N 346.434 2.532 50 40 EFGB Cc1ccc(/C=C/C(=O)NNC(=O)c2ccco2)c(Br)c1 8354898 UUNAJSZUMSTZGR-VOTSOKGWSA-N 349.184 2.825 50 40 EFGB C[C@@H](O)CN1CCN(SSc2nc3ccccc3s2)CC1 255187704 GGJSHWULCZFVSB-LLVKDONJSA-N 341.527 2.950 50 40 EFGB C[C@H](O)c1cn(C2CN(CCCO[Si](C)(C)C(C)(C)C)C2)nn1 1615613133 FSMLQIBSTAZZCJ-ZDUSSCGKSA-N 340.544 2.600 50 40 EFGB O=C(NNC(=O)c1cc2c(s1)-c1ccccc1CC2)c1ccncc1 12456283 ALMGRIXBOICFCS-UHFFFAOYSA-N 349.415 2.984 50 40 EFGB O=C(N/N=C/c1c(F)cccc1Cl)C(=O)Nc1ccccc1F 3080375 WUPLQOJTKZHEHB-UFWORHAWSA-N 337.713 2.707 50 40 EFGB CCOc1ccc(Cl)cc1/C=N/NC(=O)[C@@H](O)c1ccccc1 487250 VWVUDNYOUNOIJP-ZVCOJXFSSA-N 332.787 2.922 50 40 EFGB N#Cc1ccccc1OCC(=O)N/N=C/c1c(O)ccc2ccccc12 3087581 NUNYRFFFBPIMAM-WSDLNYQXSA-N 345.358 2.946 50 40 EFGB CC(C)CC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 10160339 HZRRRMSUFRWYAD-SECBINFHSA-N 333.215 2.954 50 40 EFGB C[C@@H]1Oc2ccccc2N(CC(=O)NNc2cccc(Cl)c2)C1=O 30614782 WPDLXCRNQKRIPG-NSHDSACASA-N 345.786 2.597 50 40 EFGB O=C(N/N=C/c1ccco1)c1cccc(I)c1 246582 FYCUUFPOEFLNJC-RIYZIHGNSA-N 340.120 2.648 50 40 EFGB Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@H](C)CCCC(C)C 32801801 IOACMWNBAYWIIH-CYBMUJFWSA-N 345.447 2.802 50 40 EFGB Cc1ncsc1C(=O)NNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 104641394 FVZIRLQOCRMVMH-RYUDHWBXSA-N 335.816 2.670 50 40 EFGB Cc1cc(OCCCC(=O)NNC(=O)c2ccco2)ccc1Cl 12765614 RXSIJQDTNQJTDK-UHFFFAOYSA-N 336.775 2.862 50 40 EFGB Cc1cc2c(c(=O)n1C1CC1)[C@@H](c1ccccc1F)C(C#N)=C(N)O2 2237856 REVDMHYUAYOUMV-INIZCTEOSA-N 337.354 2.849 50 40 EFGB N/C(=N\[C@@H](NC(=O)c1ccccc1)C(Cl)Cl)c1ccccc1 97946896 SIAHQEGHXNRPBE-HNNXBMFYSA-N 336.222 2.952 50 40 EFGB CCN(CC)C(=C(C#N)C#N)[C@@]1(C#N)[C@@H](c2ccccc2)C1(C#N)C#N 66087539 NRKBROKORXLXIC-FXAWDEMLSA-N 340.390 2.970 50 40 EFGB Cc1ccc(N2C[C@H](C(=O)N/N=C\c3cccs3)CC2=O)cc1 33285184 CNBGSSMOLCPUGI-CCOVPTLTSA-N 327.409 2.560 50 40 EFGB COc1ccccc1/C=C(\C#N)C(=O)NCc1ccc2c(c1)OCO2 5880534 DRAFGDTUJDBIFG-OQLLNIDSSA-N 336.347 2.647 50 40 EFGB N#CC1=C(N)N(c2ccccc2)[C@@H]([C@H]2C[C@H]3C=C[C@H]2C3)C1(C#N)C#N 100161851 LAAMVVDACMVNFP-DNUAJFIVSA-N 327.391 2.815 50 40 EFGB CCOc1ccc(/C=N/NC(=O)CNC2CCCCC2)cc1OCC 409377564 IYSURUYSJLWWEZ-FYJGNVAPSA-N 347.459 2.856 50 40 EFGB CC(C)/N=C1/S[C@@H]2CS(=O)(=O)[C@@H](Br)[C@]2(C)S1 101379376 LGLVMTROHNJGDS-STMLYWNBSA-N 344.321 2.508 50 40 EFGB CCOC(=O)/C(C#N)=C/c1ccc(/C=C(\C#N)C(=O)OCC)s1 481648 ULWSQBGJPDHECQ-MKICQXMISA-N 330.365 2.688 50 40 EFGB COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2C)cc1 59515540 MYYDBVRSPPUUOD-VXLYETTFSA-N 345.786 2.746 50 40 EFGB N#C/C(=C\c1c[nH]nc1-c1ccccc1)C(=O)NCc1ccncc1 5729083 FRJWHEZNKGNVCX-MHWRWJLKSA-N 329.363 2.695 50 40 EFGB CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C(=O)O)cc2C)c1C 408912933 IJXHITAJQYIEQE-SXGWCWSVSA-N 337.379 2.754 50 40 EFGB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CCl)cc2)c1 408925812 QOPIHIBCQBGUBN-UHFFFAOYSA-N 338.816 2.973 50 40 EFGB O=C(Cn1ccc(C(F)(F)F)n1)N/N=C1/CCCc2ccccc21 103388201 RLMJUUWLCKNLIH-MOSHPQCFSA-N 336.317 2.759 50 40 EFGB O=C(CCc1ccccc1)NNC(=O)c1ccccc1Br 60923 VAKZRWCBRLIQLS-UHFFFAOYSA-N 347.212 2.843 50 40 EFGB O=C(CSc1ccc(Cl)cc1)NNC(=O)c1cccs1 569209 BTEDWJPBTLKEIJ-UHFFFAOYSA-N 326.830 2.955 50 40 EFGB CCc1c(C(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)csc1C 6489855 OLYVILMCKRBCMW-WDMOLILDSA-N 337.514 2.916 50 40 EFGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(O)c(O)c2)cc1 3140073 OLGRKZNRVDNXFK-RGVLZGJSSA-N 342.395 2.924 50 40 EFGB Cc1cccc(C2(C(=O)NNC(=O)c3cn(C)c4ccccc34)CC2)c1 64748776 XXIMLLVNLVYVMP-UHFFFAOYSA-N 347.418 2.980 50 40 EFGB COc1ccc(C(=O)NNC(=O)/C(Cl)=C/c2ccccc2)cc1 4600473 JYDGXVADUPMLAD-PTNGSMBKSA-N 330.771 2.736 50 40 EFGB CCn1c(C)cc(/C=N\NC(=O)COc2ccc(OC)cc2)c1C 409092023 WYFGJOGLLIJBFZ-ODLFYWEKSA-N 329.400 2.663 50 40 EFGB CC(C)(C)OP(=O)(Cc1ccc(B(O)O)cc1)OC(C)(C)C 199559672 VYKWKWCZPDBUTE-UHFFFAOYSA-N 328.154 2.690 50 40 EFGB CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 3072763 LNLRCSCBCHTWNH-UDWIEESQSA-N 339.395 2.791 50 40 EFGB F[C@@H]1C[C@@H]2[C@@H](Br)[C@@H]1NC2(C(F)(F)F)C(F)(F)F 100145469 QETLGKWBLPLOEM-TXICZTDVSA-N 330.041 2.943 50 40 EFGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(O)cc1O 50584 XFEJQYGJUFFESY-SRZZPIQSSA-N 335.363 2.813 50 40 EFGB C/C(CC(=O)NCCCc1ccccc1)=N\NC(=O)c1cccs1 101504953 JTVFOIHRJMXANN-XSFVSMFZSA-N 343.452 2.993 50 40 EFGB C/C(=N\NC(=O)COc1ccccc1C)c1ccc([N+](=O)[O-])cc1 354627 POVWVUNFECDWJO-QGOAFFKASA-N 327.340 2.822 50 40 EFGB CO[C@@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 6180344 KAXINGIZPDWHPX-SJFHUFEGSA-N 342.439 2.738 50 40 EFGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)/C=C/c2ccccc2)c1C 7765129 PQMJHQWUZUVBOC-DBTPVHCXSA-N 338.407 2.932 50 40 EFGB CC(=O)Oc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 408785492 GNCACXYWABCOSI-VXLYETTFSA-N 346.770 2.794 50 40 EFGB COC(=O)c1cccc(NC(C#N)=C2C(=O)c3ccccc3C2=O)c1 149269 ZZSHEFJZWYDECV-UHFFFAOYSA-N 332.315 2.742 50 40 EFGB O=C(CN1C(=O)c2ccccc2C1=O)NNc1ccc2ccccc2c1 9191439 VGGDNSINWJTBSC-UHFFFAOYSA-N 345.358 2.579 50 40 EFGB N#C/C(=C\c1c[nH]nc1-c1ccccc1)C(=O)NCc1cccnc1 5729082 FPULETIPGNHRDY-CXUHLZMHSA-N 329.363 2.695 50 40 EFGB Cc1ccc(COc2ccccc2/C=C(/C#N)C(=O)NC(N)=O)cc1 409237418 UKPWNRIXPAAHFB-YBEGLDIGSA-N 335.363 2.676 50 40 EFGB O=C(N/N=C\c1cccc(O)c1)C(O)(c1ccccc1)c1ccccc1 33286556 UZGSPZVMFTVRLF-JCMHNJIXSA-N 346.386 2.778 50 40 EFGB COc1ccccc1C(=O)NN(C)c1cc(C)c(C#N)c(Cl)n1 12446173 UCAZUJUYLAISTE-UHFFFAOYSA-N 330.775 2.705 50 40 EFGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 112848 WIZWYSMMCVJQCW-DEDYPNTBSA-N 338.411 2.865 50 40 EFGB COc1cc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1O 23410173 UZEPWYMUYHRJQG-KDOFPFPSSA-N 346.390 2.994 50 40 EFGB COc1ccc(C(=O)NNC(=O)c2cc(C)nc3ccccc23)cc1 3432168 LUMLOHJBUILWHX-UHFFFAOYSA-N 335.363 2.627 50 40 EFGB C/C(=N\NC(=O)c1cccs1)c1ccc(N2CCOCC2)cc1 4619407 DMXIWCKOROCAME-QGOAFFKASA-N 329.425 2.739 50 40 EFGB CSCC[C@H](NC(=O)c1ccccc1)C(=O)NN=C1CCCC1 5003105 VBLBSBSRSMVRQB-HNNXBMFYSA-N 333.457 2.584 50 40 EFGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC)ccc32)c(OC)c1 7516700 KQVODHYSXREVKR-GOSISDBHSA-N 338.363 2.931 50 40 EFGB CCOC(=O)NNC(=O)c1ccc(CN2CCc3ccccc32)cc1 65521128 YIZYELNFBQZTMX-UHFFFAOYSA-N 339.395 2.640 50 40 EFGB N#C/C(=C\c1cnc2ccc(C#N)cn12)C(=O)Nc1ccc(F)cc1 96298487 ZPKZPGUKKATRIM-NTUHNPAUSA-N 331.310 2.891 50 40 EFGB Cc1cc(N2CCCC2)c(F)cc1/C=C(/C#N)C(=O)N1CCOCC1 6043973 HCJQJUCTSKMOMR-WJDWOHSUSA-N 343.402 2.500 50 40 EFGB COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1C(=O)O 5527222 ARDHACZKGQQXAW-GIJQJNRQSA-N 332.743 2.811 50 40 EFGB Cc1ccc(-c2cnc(CCC(=O)NNC(=O)c3ccco3)o2)cc1 14046672 IITVEUPMUOFJDD-UHFFFAOYSA-N 339.351 2.637 50 40 EFGB Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)c(Cl)c2)cc1 408845509 KAGQEQSRICNAQJ-DJKKODMXSA-N 346.770 2.876 50 40 EFGB O=C(CCc1c[nH]c2ccccc12)N/N=C/c1ccc2c(c1)OCO2 262462 VRVJCKHTHVSUIN-UFFVCSGVSA-N 335.363 2.980 50 40 EFGB Cc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 5618283 MHDQHRQQWNZZES-CXUHLZMHSA-N 328.284 2.575 50 40 EFGB C[C@@H](Cl)C(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 20132161 KEWVPTNDOAQMTH-SECBINFHSA-N 325.821 2.699 50 40 EFGB O=C(N/N=C/c1cccc(Cl)c1Cl)C(=O)N1CCCCCC1 59444347 OWHGRODCHAVEEP-VCHYOVAHSA-N 342.226 2.846 50 40 EFGB CCCCOc1ccc(/C=C(\C#N)C(=O)NCCOC)cc1OC 28495756 DRXACQBRTQAIFP-RVDMUPIBSA-N 332.400 2.544 50 40 EFGB N#CC1=C(N)n2ncnc2N[C@H]1c1ccc(OCc2ccccc2)cc1 18199433 WJHASJYLRLOERM-KRWDZBQOSA-N 344.378 2.675 50 40 EFGB COc1ccc(OC)c(/C=N/NC(=O)CC2(C)SCCS2)c1 409360200 DEAPXQVZJUAVJT-MHWRWJLKSA-N 340.470 2.740 50 40 EFGB O=C(NNC1=C(C(=O)C(F)(F)F)CCCCC1)c1ccncc1 32132647 ZKSZRRDOBVCFHG-UHFFFAOYSA-N 327.306 2.666 50 40 EFGB O=C(N/N=C\c1ccc(O)cc1O)c1ccc(Br)cc1 39252983 CMTNDERIIQVCSV-PXNMLYILSA-N 335.157 2.624 50 40 EFGB Cn1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C2CC2)n1 253396787 FBBZVCBKGXAGQW-OAHLLOKOSA-N 338.411 2.748 50 40 EFGB N#C/C(=C/c1ccc(N2CCOCC2)cc1)c1nnc2n1CCCCC2 96663211 QJISUEXFRRBODO-VKAVYKQESA-N 349.438 2.905 50 40 EFGB CCOC(=O)/C(=N\Nc1ccc(Br)cc1)C(=O)CCl 5709124 WKJKIPHTURHTOO-WJDWOHSUSA-N 347.596 2.588 50 40 EFGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 5494664 QPKBSOUTYRNSMB-WOJGMQOQSA-N 341.323 2.520 50 40 EFGB O=C(NNC(=S)NC1CC1)c1ccc2[nH]c3c(c2c1)CCCCC3 40511968 VKXIUXBTRHWIJM-UHFFFAOYSA-N 342.468 2.708 50 40 EFGB C/C(CCc1ccccc1)=N/NC(=O)C(=O)Nc1ccc(F)cc1 59515734 BCQAEIVPMFLCBW-BKUYFWCQSA-N 327.359 2.889 50 40 EFGB O=C(NNC(=O)c1cncn1-c1ccccc1)c1cccc(Cl)c1 12531908 ZOOFTMCFXRDVRF-UHFFFAOYSA-N 340.770 2.601 50 40 EFGB COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(C)nc1 13896267 MAFADTCFKSNFTM-NVMNQCDNSA-N 348.200 2.925 50 40 EFGB Cc1ccc(C(=O)NNC(=O)c2cncc(Br)c2)c(C)c1 14197065 BAYATHZZEBWCBE-UHFFFAOYSA-N 348.200 2.536 50 40 EFGB COc1ccc(/C=C/C(=O)N/N=C/c2cc(OC)ccc2OC)cc1 409071619 OSRYPOQZQUSZNQ-MRVXSSNZSA-N 340.379 2.876 50 40 EFGB Cc1cc(Nc2ccc(C(=O)NN)cc2)nc(-c2ccc(F)cc2)n1 223465926 BOCVXVXDJYOAAE-UHFFFAOYSA-N 337.358 2.938 50 40 EFGB CC(C)(C)[Si](C)(C)OC[C@H]1C=C[C@@H](n2cnc3c(N)ncnc32)O1 195496523 JROPDPSZZDSLDJ-NEPJUHHUSA-N 347.495 2.884 50 40 EFGB COc1ccc(OC)c([C@H]2Nc3nc4ccccc4n3C(N)=C2C#N)c1 20086211 FBNWHHNCRDMUAU-QGZVFWFLSA-N 347.378 2.871 50 40 EFGB Cc1cccc(C)c1NCC(=O)N/N=C\c1ccc([N+](=O)[O-])cc1 30791579 FXNQJCNXLWUAAQ-GRSHGNNSSA-N 326.356 2.774 50 40 EFGB Cc1cccc(OCC(=O)N/N=C\c2ccccc2[N+](=O)[O-])c1C 9195778 YSNXPONTTUUHJF-ZDLGFXPLSA-N 327.340 2.741 50 40 EFGB O=C(NNC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc[nH]1 96998401 QXCUAQFJAMJXMK-WDEREUQCSA-N 337.301 2.598 50 40 EFGB CN(C)c1ccc(/C=N/NC(=O)c2cccc(Cn3cccn3)c2)cc1 131616 DKNIIMGTARJNQX-KGENOOAVSA-N 347.422 2.761 50 40 EFGB Nc1ccc2c3c(cccc13)C(=O)N(CCCBr)C2=O 5767461 VXKUMMJJLYSYJC-UHFFFAOYSA-N 333.185 2.803 50 40 EFGB CCOc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 33341301 CMTVSXQBANRDFR-WQRHYEAKSA-N 343.339 2.766 50 40 EFGB C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)c1cccnc1 100510105 FEFGORMVNMXCMH-RGVLZGJSSA-N 330.775 2.870 50 40 EFGB Nc1ccccc1C(=O)N/N=C/c1ccc(O)c(Br)c1 1091244 WMKFDXZWZMBZMS-CAOOACKPSA-N 334.173 2.501 50 40 EFGB CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1OC 4453478 JJYNALOCBSRGFI-MRXNPFEDSA-N 340.383 2.734 50 40 EFGB CS(=O)(=O)/C(C#N)=C\c1c(-c2ccccc2)nc2sccn12 96843750 UFTYBUKURGLHAE-XFXZXTDPSA-N 329.406 2.972 50 40 EFGB Nc1ccccc1C(=O)N/N=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 408718714 AEDYJBNONKFXAD-NHDPSOOVSA-N 349.346 2.991 50 40 EFGB O=C(CNC1CCCCC1)N/N=C/c1c(O)ccc2ccccc12 409388936 YFNXJOBRFNCSCC-CIAFOILYSA-N 325.412 2.918 50 40 EFGB O=S1(=O)C=C(CNc2ccccc2Cl)[C@@H](Br)C1 575419585 UONIMPJFDXXPJW-VIFPVBQESA-N 336.638 2.828 50 40 EFGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1cc(O)c(O)c(O)c1 519920 ZHRRDCOZIVVSJG-FBCYGCLPSA-N 340.257 2.586 50 40 EFGB O=C(CSCc1ccccc1)N/N=C/c1ccc2c(c1)OCO2 12346214 COMYXOIHPFHPLR-GIJQJNRQSA-N 328.393 2.799 50 40 EFGB Cc1ccccc1N1C[C@H](C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1=O 7929303 FZFSDNDTEORFCZ-CYBMUJFWSA-N 340.335 2.862 50 40 EFGB N#CC(C(=O)C/N=C/c1cccc([N+](=O)[O-])c1)=C1Nc2ccccc2N1 12993648 JFKBRHOVPXVDII-KEBDBYFISA-N 347.334 2.856 50 40 EFGB Cc1cccc(C(=O)N[C@H](C(=O)N/N=C/c2cccs2)C(C)C)c1 6302290 AOWDGGDPOBYETC-ZVCOJXFSSA-N 343.452 2.961 50 40 EFGB Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)NC(N)=O)cc2)c1 409246802 DRUMAFBXIZQOHD-YBEGLDIGSA-N 335.363 2.676 50 40 EFGB N#C/C(=C\c1cccc(OCC(=O)O)c1)C(=O)NC1CCCCC1 408837901 PLIGDOZREAVCFA-NTEUORMPSA-N 328.368 2.506 50 40 EFGB C/C(=N\NC(=O)c1ccoc1C)c1ccc(N2CCOCC2)cc1 372892 MQHLNGJGSPLUBU-CPNJWEJPSA-N 327.384 2.579 50 40 EFGB Cc1cc(O)nc(NN2[C@@H](Cl)C(=O)[C@H]2c2cccc(Cl)c2)n1 16958248 WELQOSZRBQEHGS-DGCLKSJQSA-N 339.182 2.662 50 40 EFGB COC(=O)/C(C#N)=C(\SC)C1=C([C@@H](C#N)C(=O)OC)CCCCC1 5526288 WZMCMQDFQFPAQU-FARYLTDUSA-N 348.424 2.874 50 40 EFGB NNC(=O)c1ccc(OC[C@H]2CC(c3ccc(Cl)cc3)=NO2)cc1 545283 MKINSECEEKEMEG-OAHLLOKOSA-N 345.786 2.516 50 40 EFGB COc1cc(/C=N/NC(=O)CC#N)ccc1OCc1ccccc1F 573914 KIWWFOBUCKUQLG-SRZZPIQSSA-N 341.342 2.777 50 40 EFGB N#Cc1cc2c([n+]3c1SC[C@@H]3CBr)C1CCN2CC1 27566 MNOSTYNYXXDMOG-NSHDSACASA-N 337.266 2.585 50 40 EFGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2cccc(C)c2)cc1 6955027 KEKMSDNNFZKEEJ-UDWIEESQSA-N 340.379 2.701 50 40 EFGB O=C(NNC(=O)C1(c2cccc(Cl)c2)CCC1)c1cccnc1 24448458 LIUASSUTAWNVJD-UHFFFAOYSA-N 329.787 2.618 50 40 EFGB CC(C)c1ccc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)cc1 28632369 JMBKDMVNXBNTLQ-FOXGDKNPSA-N 349.434 2.790 50 40 EFGB N#Cc1ccccc1OCC(=O)N/N=C/c1ccc2ccccc2c1O 408563221 JPHUEJYTWNQLGM-WSDLNYQXSA-N 345.358 2.946 50 40 EFGB NC(=S)NNC(=O)c1ccccc1SCc1ccc(F)cc1 22073620 DMRHZRDXKFSECP-UHFFFAOYSA-N 335.429 2.596 50 40 EFGB O=C(Cc1nc(-c2ccccc2)n[nH]1)N/N=C/c1ccc(Cl)cc1 408729708 CCYMXEWEGIFKPV-YBFXNURJSA-N 339.786 2.818 50 40 EFGB O=C(COc1ccc(Cl)cc1)N/N=C\c1ccc2c(c1)OCO2 32186293 FNTMBZPWLDBVJB-LSCVHKIXSA-N 332.743 2.598 50 40 EFGB O=C(OCc1ccccc1)N1CC[C@H](N(C(=O)CCl)C2CC2)C1 79392744 SEUHIFVEXVJJHD-HNNXBMFYSA-N 336.819 2.627 50 40 EFGB CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)ccc1OC 487120 SMFVIVNODVYSTK-SRZZPIQSSA-N 345.374 2.795 50 40 EFGB C=CCOc1ccccc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 3174658 PJKOXHVIYQKBOZ-LDADJPATSA-N 325.324 2.924 50 40 EFGB COC[C@H](C)OC(=O)/C(C#N)=C/c1coc2ccc(C)cc2c1=O 2758959 TVOBMKFZGKKXRA-ALFJJAPYSA-N 327.336 2.587 50 40 EFGB CC[C@@H](Oc1ccc(C)cc1)C(=O)NNC(=O)c1ccccc1OC 12137399 MDPZHPRKWKWKCH-MRXNPFEDSA-N 342.395 2.622 50 40 EFGB COc1ccc(CCNC(=O)/C(C#N)=C/c2ccco2)cc1OC 2759402 ITMFYJIANYXDKS-SDNWHVSQSA-N 326.352 2.563 50 40 EFGB Cc1cc(Cl)c(C)c(S(=O)(=O)NNC(=O)C(C)C)c1Cl 9153913 FJFHKUQBBDOTDQ-UHFFFAOYSA-N 339.244 2.576 50 40 EFGB O=C(Cc1cccc(C(F)(F)F)c1)NNC(=O)c1ccc(F)cc1 4546032 OHPYKUMLPVRLKI-UHFFFAOYSA-N 340.276 2.848 50 40 EFGB C[C@]1(CBr)CSc2n(C[C@@H]3CO3)c3ccccc3[n+]21 4868279 PISGPIGFHCSKJY-YGRLFVJLSA-N 340.266 2.543 50 40 EFGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)n(C)c(=O)n3C)cc1 408899464 PPQPQCLMRKUDBJ-XNTDXEJSSA-N 346.390 2.731 50 40 EFGB Cc1ccccc1C[C@H]1CCN(C(=O)/C(C#N)=C/C(C)C)C[C@H]1O 585289238 GMAWXHAEKVARCO-KLZKLYFASA-N 326.440 2.853 50 40 EFGB Cn1cc(Br)cc1C(=O)N/N=C1\CCc2c(O)cccc21 98054236 QTBJNHWUXUZQCA-SFQUDFHCSA-N 348.200 2.574 50 40 EFGB CC[C@@H]1CCc2sc(C(=O)NNC(=O)c3ccncc3)cc2C1 5173826 FKFJVQXAKGVXET-LLVKDONJSA-N 329.425 2.733 50 40 EFGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(O)cc1O 42487 MTIXHSAAPXNPAV-OAHLLOKOSA-N 326.352 2.549 50 40 EFGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1O 59334797 SKVCFZUVGFXWKR-GHXNOFRVSA-N 335.201 2.878 50 40 EFGB CCOc1ccc(/C(C)=N/NC(=O)c2ccccc2N)cc1[N+](=O)[O-] 409039043 WAQHJRDIFDIXLF-YBFXNURJSA-N 342.355 2.730 50 40 EFGB CC(/C=N/NC(=O)Cn1nnc(-c2ccccc2)n1)=C\c1ccccc1 4702506 YTMVKWQLVGDAFL-HIBZGYDWSA-N 346.394 2.546 50 40 EFGB C#CCn1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 408598599 FJFRJJLSLUHYBW-UDWIEESQSA-N 346.346 2.947 50 40 EFGB CC1(C)[C@H](O)[C@@]2(Br)CC[C@@]1(CC#N)[C@@H]2Br 216529377 SNSPGLYSSKESNT-OINDSLJFSA-N 337.055 2.978 50 40 EFGB NN[P@@](=O)(OCc1ccccc1)N(CCCl)CCCl 6575123 ZMQKSLATAFRMCW-LJQANCHMSA-N 326.164 2.554 50 40 EFGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N(C)C)cc1OCC 59334659 AFENIHLUXHASKL-JYRVWZFOSA-N 332.787 2.746 50 40 EFGB CCc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)s1 367208 FXEXJPWSNQIZHC-INIZCTEOSA-N 342.468 2.887 50 40 EFGB COC(=O)N[C@@H]1c2ccccc2CC[C@@H]1I 4887549 FUMDWBGYZTWGQC-WDEREUQCSA-N 331.153 2.834 50 40 EFGB COc1ccc(OCC(=O)N/N=C\c2cc(C)c(O)c(C)c2)cc1 108160260 OOTNJJVSGALTBQ-GRSHGNNSSA-N 328.368 2.547 50 40 EFGB O=C(Cc1csc(-c2ccsc2)n1)NNC(=O)c1ccccc1 12908148 RAIBRIHOWOZKDD-UHFFFAOYSA-N 343.433 2.875 50 40 EFGB Cc1ccccc1C(=O)NNC(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 65987617 KWIOFTSBHXJCCC-PJPHBNEVSA-N 327.428 2.860 50 40 EFGB N#CCOc1ccc(/C=N/NC(=O)CSc2ccccc2)cc1 408864305 VJEQTQTYGBHKEI-XDHOZWIPSA-N 325.393 2.831 50 40 EFGB CCOC(=O)C1=C(CCl)Oc2ncnc(N)c2[C@H]1c1ccccc1 226759761 QOTPJVILNJJGDI-LBPRGKRZSA-N 345.786 2.639 50 40 EFGB COC(=O)c1cccc(-c2ccc(/C=C(\C#N)C(N)=C(C#N)C#N)o2)c1 100634280 FAXDYQGXAPBITN-RIYZIHGNSA-N 344.330 2.900 50 40 EFGB CCc1ccc(C(=O)NNC(=O)c2ccc(Br)o2)cc1 14819803 GHDYLRNSGJXLSK-UHFFFAOYSA-N 337.173 2.679 50 40 EFGB COC(=O)c1cccc(Cn2cc(/C=N/NC(C)=O)c3ccccc32)c1 408542368 LIHWAFQZXIVXHU-SRZZPIQSSA-N 349.390 2.946 50 40 EFGB Cc1ccccc1N[C@H]1SC(=O)N(CCBr)C1=O 36626552 GGLZBFUSSLJWPP-JTQLQIEISA-N 329.219 2.823 50 40 EFGB CC1=C[C@]2(Nc3cc(C)cc(Br)c3O2)C(C#N)=C(N)O1 40545190 RHKRCJCIJVGZMT-CQSZACIVSA-N 334.173 2.886 50 40 EFGB Cc1n[n+]2c(n1-c1ccccc1)SC[C@@]2(C)CBr 4734497 FYRDPVPGUOQBOJ-CYBMUJFWSA-N 325.255 2.684 50 40 EFGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 49998 MBFPIVAZVAPGQL-ZDUSSCGKSA-N 338.285 2.960 50 40 EFGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1 8558482 QCTHHSALVJTWJF-YBFXNURJSA-N 325.368 2.751 50 40 EFGB C[C@@H](Sc1ccccc1)C(=O)N/N=C1\C(=O)Nc2ccccc21 20248504 NQBTXJHTORQPOI-LLVKDONJSA-N 325.393 2.640 50 40 EFGB COc1cc(/C=N/NC(=O)CSCCc2ccccc2)ccc1O 408727512 QDWOLYNYRYGHCY-XDHOZWIPSA-N 344.436 2.827 50 40 EFGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)c1ccc(F)cc1 408740736 LZSMKRCFPKDSDU-MBTVCVBTSA-N 338.342 2.580 50 40 EFGB COc1cc(/C=N/NC(=O)COc2cccc(C)c2C)ccc1O 341938 CPXXDUIPJZSORU-VXLYETTFSA-N 328.368 2.547 50 40 EFGB CCOc1ccccc1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1 5475960 SWNYQTXUBONVTD-LDADJPATSA-N 327.340 2.686 50 40 EFGB C[C@H](Sc1ccccc1)C(=O)N/N=C1/C(=O)N(C)c2ccccc21 409331786 PVDJYSIDZNPNBD-NWLJZCLZSA-N 339.420 2.664 50 40 EFGB CCNC(=O)/C(C#N)=C/c1c(C)n(CC(=O)OCC)c2ccccc12 408810475 JYKKCTGGCAIHIX-GXDHUFHOSA-N 339.395 2.556 50 40 EFGB COc1ccc(OC)c(/C=C(\C#N)C(=O)NCCc2ccccc2)c1 7065842 YGEAAXQIQZAGIG-SFQUDFHCSA-N 336.391 2.970 50 40 EFGB COc1ccc([C@@H]2[C@@H]3CCC=C3C(C#N)=C(N)C2(C#N)C#N)c(OC)c1 20247336 SBIMLFLLINPJFB-KDOFPFPSSA-N 346.390 2.907 50 40 EFGB COc1cc(/C=N/NC(=O)CC#N)ccc1OCc1ccccc1C#N 59140224 OJQKOBDJDBTGDN-WSDLNYQXSA-N 348.362 2.510 50 40 EFGB CCCC/C(C)=N/NC(=O)C(=O)Nc1ccc(OC)c(Cl)c1 58885801 VYAPFSIZYBVGHQ-VCHYOVAHSA-N 325.796 2.969 50 40 EFGB Cc1cc(C)nc(NNC(=O)COc2ccc(Cl)c(Cl)c2)n1 29781541 BHTBXIBXNGVLMD-UHFFFAOYSA-N 341.198 2.922 50 40 EFGB COc1ccc(/C=C/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 38178102 FUIFBLHUACVXDY-QOQWSJPFSA-N 339.351 2.961 50 40 EFGB Cc1ccccc1C(=O)NNC(=O)CC1(CC(=O)O)CCCCC1 53490755 BYSZDPUOESNESJ-UHFFFAOYSA-N 332.400 2.571 50 40 EFGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(C(=O)O)cc2)c1 565467 FAVKZPDSKUDIIE-VXLYETTFSA-N 326.352 2.531 50 40 EFGB C/C(=N\NC(=O)COc1ccc(C)c(C)c1)c1ccc(O)cc1O 8182775 SFEIEZOJHQWVTP-CPNJWEJPSA-N 328.368 2.634 50 40 EFGB CCOC(=O)N/N=C/c1ccc(OC(=O)c2ccco2)c(OC)c1 3526524 MMZVZTJQAFGTQB-LICLKQGHSA-N 332.312 2.587 50 40 EFGB O=C(N/N=C/c1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 5603907 ROMQLVKRCZFMEH-XLTHYULKSA-N 341.798 2.843 50 40 EFGB O=S(=O)(N[C@H]1C2CCC(CC2)[C@@H]1Br)c1ccccc1 1643921 QGDAYPKMQFICSL-OQSWDALSSA-N 344.274 2.917 50 40 EFGB Cc1ccc(CNC(=O)NNC(=O)c2cc3ccccc3cc2O)cc1 24755078 QXGUSARTMPTXPC-UHFFFAOYSA-N 349.390 2.998 50 40 EFGB Cc1ccc(CNC(=O)NNC(=O)CSc2ccccc2F)cc1 58168133 SBNIVKXXOHFPAZ-UHFFFAOYSA-N 347.415 2.757 50 40 EFGB CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(C)c(C)c1 2639701 DTDJZDYKLRZEPR-UHFFFAOYSA-N 342.395 2.542 50 40 EFGB COCc1c(C(=O)NNC(=O)c2cccs2)oc2ccccc12 9253036 LNIMBVJZQBQCNV-UHFFFAOYSA-N 330.365 2.716 50 40 EFGB CCc1cccc(CC)c1N(C(=O)CCl)[C@H]1CCS(=O)(=O)C1 217378355 RRBBHIQQEKQICM-AWEZNQCLSA-N 343.876 2.570 50 40 EFGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccn1 36740 GVYPYHVIFFIFON-RQZCQDPDSA-N 328.422 2.934 50 40 EFGB COc1cccc(/C=N\NC(=O)COc2cccc(C)c2C)c1O 30843176 YOAIEFLQEBIQGT-GRSHGNNSSA-N 328.368 2.547 50 40 EFGB C#CCOc1ccc(/C=C(\C#N)C(=O)NCCCC)cc1OCC 21274514 IWSXXWXMHDDQOE-FOWTUZBSSA-N 326.396 2.921 50 40 EFGB O=C(N/N=C(\c1ccccc1)c1ccccn1)c1ccc2c(c1)OCO2 17071974 YNDDBFSEKSYOBN-ZBJSNUHESA-N 345.358 2.993 50 40 EFGB NNC(=O)c1cn(C(=O)COc2ccccc2Cl)c2ccccc12 216748114 JEVUBOWLBFZHBS-UHFFFAOYSA-N 343.770 2.617 50 40 EFGB CC(=C/c1ccccc1)/C=N/NC(=O)c1n[nH]c(=O)c2ccccc12 83812896 JLHZMKHPGNWJPH-XKSGRZMBSA-N 332.363 2.742 50 40 EFGB COc1cc(/C=C(\C#N)C(=O)NC2CCCC2)c([N+](=O)[O-])cc1OC 258415 AVXLZDXXQJXSJV-KPKJPENVSA-N 345.355 2.578 50 40 EFGB CCOC(=O)/C(C#N)=C/c1cc(Br)c(O)c(OC)c1 99988 WNFFBWIYNFSLJI-RUDMXATFSA-N 326.146 2.633 50 40 EFGB CC(=O)NNC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1 73141989 XLBRDKQTLKCAMH-VQHVLOKHSA-N 331.353 2.504 50 40 EFGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)OCC 408813649 DLIXHSIDWSHGII-XYOKQWHBSA-N 334.169 2.931 50 40 EFGB Cc1ccc(OCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(C)c1 4673225 IQGZPIBFPFHYIH-VCHYOVAHSA-N 327.340 2.741 50 40 EFGB CC(=O)c1ccc(NC(=S)NNC(=O)NC2CCCCC2)cc1 13878957 AJLLTHJQJXHYST-UHFFFAOYSA-N 334.445 2.723 50 40 EFGB Cc1ccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c(C)c1 62152 WZAOZNPNDACUKC-VCHYOVAHSA-N 327.340 2.741 50 40 EFGB CCn1c(SCC(=O)N/N=C/c2ccncc2)nc2ccccc21 186617 MMBYEIPLEXMAJX-YBFXNURJSA-N 339.424 2.694 50 40 EFGB Cc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3o2)cc1C 133163 CAHIELNGIQRKIB-UHFFFAOYSA-N 338.363 2.890 50 40 EFGB aggregator C/C(CC(=O)Nc1ccc2ccccc2c1)=N\NC(=O)c1cnccn1 100527496 HZVJOLORYIKHFI-YDZHTSKRSA-N 347.378 2.764 50 40 EFGB CCOc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 107802458 RTDJBJTYWMZFRH-PDGQHHTCSA-N 327.340 2.686 50 40 EFGB C/C(=N\NC(=O)CN1CCCCC1)c1cccc(Br)c1 20248222 FJEVAXJDXDIFTP-SFQUDFHCSA-N 338.249 2.775 50 40 EFGB O=C(NNC(=O)c1cccnc1)c1ccc(SC(F)(F)F)cc1 12916601 NEEHVZDDDFBWOO-UHFFFAOYSA-N 341.314 2.768 50 40 EFGB Cn1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 409048109 RMWMVKMWLQZDML-YBFXNURJSA-N 336.351 2.779 50 40 EFGB COc1cc(/C=N\NC(=O)c2ccco2)cc(Br)c1O 30725478 AATAXXUSARPGCX-CHHVJCJISA-N 339.145 2.520 50 40 EFGB CC(C)=NNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 20059317 HCXQRDGMKYHMDT-UHFFFAOYSA-N 345.424 2.637 50 40 EFGB O=C(NNc1ncnc2c1cnn2-c1ccccc1)c1cccs1 13496873 FHFORHFBFNNJQM-UHFFFAOYSA-N 336.380 2.634 50 40 EFGB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(C)(C)N1C(=O)CCl 4029308 YTNZJAMWMLPAQY-ZDUSSCGKSA-N 334.803 2.568 50 40 EFGB biogenic CCOC(=O)[C@@H](C)/C(C)=N/NC(=O)COc1ccc(Cl)cc1C 4523871 BFOXNUKUKDXEMQ-MSXRGENMSA-N 340.807 2.719 50 40 EFGB CCN1C(=O)/C(=N\NC(=O)c2ccccc2O)c2cc(Cl)ccc21 17288825 VORFRYCJDREYGD-CYVLTUHYSA-N 343.770 2.546 50 40 EFGB Oc1ccccc1/C=N/NC1=N[C@H]2CC[C@@H](Br)[C@@H]2S1 5583498 ZTXKTTBSRATLGU-GVNJVLJGSA-N 340.246 2.713 50 40 EFGB CCc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)s1 367207 FXEXJPWSNQIZHC-MRXNPFEDSA-N 342.468 2.887 50 40 EFGB Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1 6501898 WALPMZWXAITWSI-UHFFFAOYSA-N 347.827 2.598 50 40 EFGB C[C@]1(C(=O)OC[C@@H]2CCCN3CCCC[C@H]23)C[C@H]1Br 4061180 BXPSMNAXFOSEKJ-JLNYLFASSA-N 330.266 2.968 50 40 EFGB biogenic CCOc1ccc(OCC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c1 6196205 AQSLSTWFPOBMJN-MRXNPFEDSA-N 340.383 2.734 50 40 EFGB C/C(CCc1ccccc1)=N/NC(=O)CC(=O)NCc1ccccc1 408753879 RHQIQFVNUAJVTL-JWGURIENSA-N 337.423 2.818 50 40 EFGB Cc1ccc(C(=O)NNC(=O)CCC(=O)c2cccs2)c(C)c1 8142543 PTDKJSRCSZDZKW-UHFFFAOYSA-N 330.409 2.789 50 40 EFGB CCOc1ccc(/C=N/NC(=O)c2c(C)nc3sccn23)cc1 408722009 OBZWAOOVNGMGKO-LICLKQGHSA-N 328.397 2.867 50 40 EFGB CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)F 85210477 JGAYWOLCVLNHQD-LBPRGKRZSA-N 325.336 2.509 50 40 EFGB Cc1cc(C(=O)NN)c(C)n1-c1ccc(F)cc1Br 223708096 SEPKJRUJGPVEMW-UHFFFAOYSA-N 326.169 2.599 50 40 EFGB COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1O 59181 SZLSQKGCNXPKTK-VXLYETTFSA-N 328.368 2.547 50 40 EFGB Cc1cc2c(c(=O)o1)[C@H](c1ccnc3ccccc13)C(C#N)=C(N)O2 499244 JHZAYTWBWXJGMH-MRXNPFEDSA-N 331.331 2.715 50 40 EFGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)cc1 4679913 ZCNSNIVINDGRST-LFIBNONCSA-N 349.390 2.659 50 40 EFGB Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=C(C#N)C#N 408998131 IDDMTLXZYICRSC-UHFFFAOYSA-N 338.283 2.736 50 40 EFGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(N2CCCC2)cc1 408675877 CAYUNJBYPNHVLK-CPNJWEJPSA-N 338.367 2.959 50 40 EFGB CCn1c(C)cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)c1C 409099055 RSTPSJPSBLYKDM-NDENLUEZSA-N 342.443 2.720 50 40 EFGB CCCCSCC(=O)NNC(=O)c1cc(-c2ccccc2)on1 24789806 GFHAPEFWEKPMDC-UHFFFAOYSA-N 333.413 2.636 50 40 EFGB Cc1c(/C=N/NC(=O)CNC2CCCCC2)c2ccccc2n1C 409388700 WJVJLVUKMDIEID-CIAFOILYSA-N 326.444 2.859 50 40 EFGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1cccc(Cl)c1 216953786 POUWSJHOIUPLRH-UHFFFAOYSA-N 327.771 2.895 50 40 EFGB CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 19597384 SNVPOJGNINTOIL-CQSZACIVSA-N 345.380 2.784 50 40 EFGB Cc1ccc([C@H]2C[C@H]2C(=O)NNC(=S)NCc2ccccc2)cc1 374374 ONKXCYLTHNMQFV-IAGOWNOFSA-N 339.464 2.794 50 40 EFGB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CCCCl)c1 6784455 XNDAGANTCIFTRK-UHFFFAOYSA-N 346.880 2.983 50 40 EFGB C/C(CC(=O)Nc1cccc(C)n1)=N\NC(=O)Cc1cccs1 4090625 QQWGQISWVNSQMO-XDHOZWIPSA-N 330.413 2.515 50 40 EFGB C/C(=N/NC(=O)CNC(=O)Cc1ccccc1)c1ccc(Cl)cc1 5032531 YSKSFEBGYCZUDM-BKUYFWCQSA-N 343.814 2.539 50 40 EFGB C/C(=N\NC(=O)CNC(=O)c1ccccc1F)c1ccc(Cl)cc1 4815184 LSQWVVLMQJLGPC-SRZZPIQSSA-N 347.777 2.749 50 40 EFGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H]([C@H]3C=CCCC3)[C@@H]2C1 17143709 BITFYVBSUMUQPK-BMGDILEWSA-N 333.439 2.621 50 40 EFGB N#C/C(=C\c1ccc(OCC(F)F)cc1)C(=O)NC[C@@H]1CCCO1 98013308 XUZLDTQRDJALJP-NRUITVPNSA-N 336.338 2.533 50 40 EFGB Cc1cc(=O)c(C(=O)N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)c[nH]1 585127951 NPVDYCZBJRADTP-ZDUSSCGKSA-N 336.508 2.920 50 40 EFGB COc1ccc(/C=N/NC(=O)c2cccnc2)cc1Br 231122 YRBAZIHMKXHECJ-CAOOACKPSA-N 334.173 2.617 50 40 EFGB C[C@]12CC3CC(C(=O)NNC(=O)c4cccnc4)(C1)C[C@](C)(C3)C2 102961195 ULXDPWZOQIWDNR-HSOIFAIESA-N 327.428 2.839 50 40 EFGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2F)[C@H]2CSCC=C12 23410405 KNMJCTMQJHUUHV-GOEBONIOSA-N 336.395 2.982 50 40 EFGB Cc1cccc(OCC(=O)NNC(=O)c2cc3c(s2)CCCC3)c1 14239447 ZCTDYLTUGNPLRY-UHFFFAOYSA-N 344.436 2.775 50 40 EFGB N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)NC1CCCCC1 6888938 VHIAPRIVLZEZAU-GXDHUFHOSA-N 328.368 2.506 50 40 EFGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 104353342 OVGQKKHXVVKBIM-XFXZXTDPSA-N 347.831 2.553 50 40 EFGB O=C(Cc1ccc(F)cc1)NNC(=O)NCCc1cccc(Cl)c1 10410368 SLVGMQRYVVMJLT-UHFFFAOYSA-N 349.793 2.595 50 40 EFGB COC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccco2)c(OC)c1 144525 MYSREEZFSIUXEK-XYOKQWHBSA-N 327.292 2.587 50 40 EFGB O=C(COc1cccc(Cl)c1)N/N=C/c1ccccc1[N+](=O)[O-] 3167175 BISSQNQHGOQPCO-RQZCQDPDSA-N 333.731 2.777 50 40 EFGB COc1ccc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)cc1OC 59502275 NXOQHEXTJMLVJC-DAQNXSASSA-N 328.368 2.542 50 40 EFGB Cc1occc1C(=O)NNC(=O)c1cc(F)ccc1Br 14187658 AUBWQNPTNHTWHU-UHFFFAOYSA-N 341.136 2.564 50 40 EFGB CCN(CC)C(=C(C#N)C#N)[C@]1(C#N)[C@H](c2ccccc2)C1(C#N)C#N 66087533 NRKBROKORXLXIC-XLIONFOSSA-N 340.390 2.970 50 40 EFGB C/C(=N\NC(=O)NC1CCCC1)c1ccc(N2CCOCC2)c(F)c1 96298100 INCQBYKEXQBZGN-FYJGNVAPSA-N 348.422 2.628 50 40 EFGB CSc1ccc(/C=N/NC(=O)C(=O)NC2CCCCCC2)cc1 409005743 KTRAPVCKMFQPCB-LDADJPATSA-N 333.457 2.698 50 40 EFGB CNC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2C)cc1 409008613 YSFWIBHINDOUOY-WJDWOHSUSA-N 349.390 2.666 50 40 EFGB CCS(=O)(=O)[C@@H](Br)[C@H](O)c1cccc(Cl)c1 96519077 SRQSZUHDYUWLOX-NXEZZACHSA-N 327.627 2.529 50 40 EFGB O=C(N/N=C\c1ccc(N2CCCCC2)o1)c1ccc2c(c1)OCO2 4524196 ZIERWTWKGZOSBQ-ODLFYWEKSA-N 341.367 2.763 50 40 EFGB Cc1c(N/C=C(\C#N)C(=O)C(C)(C)C)c(=O)n(-c2ccccc2)n1C 100942709 UNYZFCCPTZWCMZ-WYMLVPIESA-N 338.411 2.919 50 40 EFGB O=C(CCC(=O)Nc1ccccc1)NNC(=O)c1ccccc1Cl 2132137 MZMZOSINVUKKMG-UHFFFAOYSA-N 345.786 2.520 50 40 EFGB COc1ccc(C(=O)NNC(=O)CCc2c[nH]c3ccccc23)cc1 3395119 DTRXSLNRAPLOHZ-UHFFFAOYSA-N 337.379 2.570 50 40 EFGB Cc1cc(O)nc(NN2[C@@H](Cl)C(=O)[C@H]2c2ccc(Cl)cc2)n1 16958247 UKZGBTCOHPEUIE-DGCLKSJQSA-N 339.182 2.662 50 40 EFGB CC(C)CCN1C(=O)/C(=N/NC(=O)c2ccco2)c2ccccc21 103552990 KDRVRABVBABRNR-KNTRCKAVSA-N 325.368 2.806 50 40 EFGB Cc1ccccc1C(=O)NNc1ncnc2c1cnn2-c1ccccc1 4355129 WQNUKKIZNQTPIX-UHFFFAOYSA-N 344.378 2.881 50 40 EFGB CC1=CC(=C(C#N)C#N)C=C(C)N1CCc1ccc([SH](=O)=O)cc1 1554502457 AVUYUHPTCJPKBI-UHFFFAOYSA-N 339.420 2.666 50 40 EFGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2O)cc1OC 6324539 XWTMSHHVVBSSRO-UNOMPAQXSA-N 328.368 2.954 50 40 EFGB CC(=O)Nc1ccc(/C=N/NC(=O)c2ccc3ccccc3n2)cc1 3242279 PJYKWCCSPKUSEL-UDWIEESQSA-N 332.363 2.957 50 40 EFGB C/C(=N\NC(=O)CN1CCCC1=O)c1ccc2c(c1)Cc1ccccc1-2 46590596 UARCIXMOHSJOSM-HYARGMPZSA-N 347.418 2.720 50 40 EFGB Cc1ccc(N[C@@H](C)C(=O)N/N=C/c2ccc(O)cc2O)c(C)c1 2750925 WGWDZRGWBJKMLT-UZPSYVQNSA-N 327.384 2.665 50 40 EFGB CC(C)=NNC(=O)c1nc2ccccc2c(=O)n1Cc1ccccc1 28218263 CZEKHXCSWUMPQO-UHFFFAOYSA-N 334.379 2.570 50 40 EFGB C[C@H](Oc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1)C(=O)O 32189255 NDVFHVHQMUZBJG-JMRXEAOASA-N 342.395 2.894 50 40 EFGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccccc1Cl 216952948 PIRXXQMWEXMWOX-UHFFFAOYSA-N 327.771 2.895 50 40 EFGB CCCn1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cn1 253401584 NINMGHZKIQUFRW-HNNXBMFYSA-N 326.400 2.744 50 40 EFGB Oc1ccccc1/C=N/NC1=N[C@@H]2CC[C@@H](Br)[C@H]2S1 257346820 ZTXKTTBSRATLGU-CTPAVUBMSA-N 340.246 2.713 50 40 EFGB Cc1ccccc1COc1ccccc1/C=N/NC(=O)C(C)(C)O 32578392 ZJGRMJXLADSPNV-UDWIEESQSA-N 326.396 2.795 50 40 EFGB CC1=Nc2ccc(Cl)cc2[C@@H](c2ccccc2)N1CC(=O)NN 287285 FTIVKYCZADABAJ-QGZVFWFLSA-N 328.803 2.785 50 40 EFGB C/C(CC(=O)Nc1ccccn1)=N\NC(=O)Cc1ccc(Cl)cc1 101430657 GMCIRPYWOYBIOW-CIAFOILYSA-N 344.802 2.798 50 40 EFGB COc1ccccc1OCCCOc1cccc(/C=N/NC(N)=O)c1 4600180 ZUBKXQDPULJUIK-DEDYPNTBSA-N 343.383 2.545 50 40 EFGB CN(C(=O)/C(C#N)=C/c1ccccc1OCC(=O)O)C1CCCCC1 96298447 SYEIUHQURITCTI-RVDMUPIBSA-N 342.395 2.848 50 40 EFGB COc1ccccc1/C=C(/C#N)C(=O)N1CCN(c2ccccc2)CC1 255292753 SFQGQWJZYQHYCM-SDXDJHTJSA-N 347.418 2.951 50 40 EFGB CCC[C@]12OC(=O)C(=O)N1c1ccc(Cl)nc1S[C@@H]2Cl 2274395 HPAZFOSJDKPTLM-NWDGAFQWSA-N 333.196 2.792 50 40 EFGB O=C(CCBr)N1CCN(c2ccc3ccccc3n2)CC1 3152467 CAZIICUNSZFSKJ-UHFFFAOYSA-N 348.244 2.668 50 40 EFGB CCCCSC1=C(C#N)[C@H](c2ccccc2)[C@H](C(=O)OC)C(=O)N1 409137855 YJYCQWDKSGTFKZ-GJZGRUSLSA-N 344.436 2.958 50 40 EFGB C/C(CC(=O)NC1CCCCCCC1)=N\NC(=O)c1ccncc1 100090524 SYISLWDCJSDKAB-KGENOOAVSA-N 330.432 2.807 50 40 EFGB CCOc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c(OCC)c1 409266062 WANPQXPSUNLEPX-ACRNLXFHSA-N 342.395 2.668 50 40 EFGB Cc1cc(C(=O)N/N=C/c2ccc(F)s2)c2c(C)nn(C)c2n1 252492421 MLRGWWXBOPOSMC-REZTVBANSA-N 331.376 2.550 50 40 EFGB CC/C(=N\NC(=O)[C@@H]1CCCO1)c1cc(Br)ccc1O 43972583 OJLOGXJUHSGIJH-XDUBLRSXSA-N 341.205 2.564 50 40 EFGB O=C(NNC(=O)c1c[nH]cc1-c1ccc(Cl)s1)c1cccnc1 44980068 GXCWVKZMOQLXFV-UHFFFAOYSA-N 346.799 2.866 50 40 EFGB O=C1OC(=O)[C@@]23Cc4ccccc4C[C@@]12Cc1cc2c(cc1C3)CC2 68568731 QLDWFMDDXWSKCQ-SZPZYZBQSA-N 330.383 2.739 50 40 EFGB N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(=O)O)c1 408543368 QPSCNOHHFNUTCN-QPEQYQDCSA-N 337.291 2.839 50 40 EFGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccccc1[N+](=O)[O-] 17070839 SYVPKSIEUVKBBQ-KPKJPENVSA-N 337.291 2.869 50 40 EFGB N#C/C(=C/c1cn(CC(=O)O)c2ccccc12)C(=O)NC1CCCC1 409192072 UJGOXBSTPQAUQW-LCYFTJDESA-N 337.379 2.692 50 40 EFGB C/C(=N/NC(=O)CSc1nc2ccccc2o1)c1ccccn1 35242833 WSAOXYAUTDBMNI-ODLFYWEKSA-N 326.381 2.855 50 40 EFGB C/C(=N\NC(=O)CNc1ccc(C)cc1)c1ccc2c(c1)OCCO2 36270125 YPQPKGIQYFFKPY-KGENOOAVSA-N 339.395 2.719 50 40 EFGB O=S(=O)(OCCBr)c1ccc(C(F)(F)F)cc1 199753220 OLOLHFCCXPOHBI-UHFFFAOYSA-N 333.125 2.806 50 40 EFGB O=C(NNC(=O)c1ccccn1)c1ccc(OCc2ccccc2)cc1 8197818 HBFAKWDRKORIEM-UHFFFAOYSA-N 347.374 2.735 50 40 EFGB CCn1c(C)cc2c(c1=O)[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2 2363843 CESOEVQFJBTVDR-OAHLLOKOSA-N 325.343 2.534 50 40 EFGB Cc1ccc(OCC(=O)NNC(=S)NC2CCCCC2)c(C)c1 2550064 IBPOFVSSJMLRBW-UHFFFAOYSA-N 335.473 2.510 50 40 EFGB CSc1ccc(C(=O)NNC(=O)c2ccccc2C)cc1[N+](=O)[O-] 13141427 XKTVJKUQPYDCAG-UHFFFAOYSA-N 345.380 2.700 50 40 EFGB CN(C)c1cccc(C(=O)NNC(=O)Cc2cccc3ccccc23)c1 7783187 MWEYLWPJGRFGCX-UHFFFAOYSA-N 347.418 2.910 50 40 EFGB CC1(C)CC(=O)[C@@H](C(=O)/C=C/c2ccco2)C(=O)[C@@H]1Br 104832372 UMCMRJQFKGPVLH-LJXRPBPOSA-N 339.185 2.810 50 40 EFGB Cc1ccc(C(=O)N/N=C\c2cc(Br)c(O)cc2O)cc1 408867637 MCHUCORVZHVXGP-IUXPMGMMSA-N 349.184 2.933 50 40 EFGB COc1cccc2c1OCC/C2=N\NC(=O)COc1ccccc1C 376707 NFAGPNTXRPSVMI-HMMYKYKNSA-N 340.379 2.685 50 40 EFGB COc1ccc(N2C(S)=C(C#N)C(=O)N[C@H]2c2ccccc2)cc1 818295 VKNUKWJBTGJASX-MRXNPFEDSA-N 337.404 2.995 50 40 EFGB N#C/C(=C\c1cccn1-c1ccc(Cl)cc1)C(=O)N1CCOCC1 1096952 AMRHIJSZWYCOET-WYMLVPIESA-N 341.798 2.896 50 40 EFGB N#Cc1cccc(NNC(=O)Nc2cccc(N3CCOC3=O)c2)c1 58392226 HENGWQFBVIGUHC-UHFFFAOYSA-N 337.339 2.663 50 40 EFGB O=C(NNC(=O)c1cc2ccccc2oc1=O)c1ccc(Cl)cc1 2358375 WTHSYUZOHQPVDZ-UHFFFAOYSA-N 342.738 2.521 50 40 EFGB O=C(NNC(=O)c1ccccc1F)c1ccc(C(F)(F)F)cc1 3412130 ZJRXCCDNUSXLSG-UHFFFAOYSA-N 326.249 2.919 50 40 EFGB N#CC1=C(N)n2c(nc3ccccc32)N[C@H]1c1cccc([N+](=O)[O-])c1 3907202 HVCVJZXJCBTEAH-HNNXBMFYSA-N 332.323 2.762 50 40 EFGB Cn1cccc1/C=N\NC(=O)CSc1nc2ccccc2s1 33293288 VORANSNEGYIJMH-SXGWCWSVSA-N 330.438 2.877 50 40 EFGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccnn1-c1ccccc1 253403820 QMGLTLAVHUFHSM-QGZVFWFLSA-N 332.363 2.687 50 40 EFGB Cn1nc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1-c1ccccc1 253397332 FNZZGQXDMIXDMM-GOSISDBHSA-N 346.390 2.902 50 40 EFGB C=CCc1ccccc1OCC(=O)N/N=C/c1ccc2c(c1)OCO2 3169125 CKJWAEBJVWHDHH-RGVLZGJSSA-N 338.363 2.673 50 40 EFGB C=CCOc1ccccc1/C=N/NC(=O)COc1ccc(F)cc1 3131124 QWQUKMLSVCYYGE-UDWIEESQSA-N 328.343 2.920 50 40 EFGB CCC[C@@H](Br)C(=O)NCCC(=O)Nc1ccc(F)cc1 8733181 DFDCGZDCWNJKIY-GFCCVEGCSA-N 345.212 2.834 50 40 EFGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1cccs1 59197668 XHDBJLABRPEKQW-LICLKQGHSA-N 326.381 2.712 50 40 EFGB C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C#N 118918408 JHNKMSMCNITKIH-GECNCUIPSA-N 327.424 2.952 50 40 EFGB O=C(CSc1cccc(C(F)(F)F)c1)NNC(=O)c1ccco1 9376390 PBBVKVXLLLRVQQ-UHFFFAOYSA-N 344.314 2.852 50 40 EFGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc2c(cc1Cl)OCO2 409245448 SZHQZGHKUAYXJQ-UWVJOHFNSA-N 334.734 2.901 50 40 EFGB COc1cc(/C=N/NC(=O)CCc2ccccc2)cc(OC)c1OC 498070 XKOYXKNNMBIVKD-DEDYPNTBSA-N 342.395 2.795 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)cc1O 12859308 MFFHZPVJHRMPEW-KEBDBYFISA-N 342.395 2.855 50 40 EFGB CCc1c(C(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)csc1C 102603425 OLYVILMCKRBCMW-COPLHBTASA-N 337.514 2.916 50 40 EFGB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Cl)cc1 2565167 KISOIDIHUAPEON-OAHLLOKOSA-N 337.828 2.650 50 40 EFGB COc1cccc(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)c1 18148608 MYICZGNPQNELPQ-CIAFOILYSA-N 346.390 2.948 50 40 EFGB CCCN1C(=O)/C(=N\NC(=O)c2ccccc2O)c2cc(C)ccc21 5925474 INMGHBKIMNUVDE-JZJYNLBNSA-N 337.379 2.591 50 40 EFGB COCc1n[nH]c2c1[C@H](c1cccc3ccccc13)C(C#N)=C(N)O2 34924 HOGXKYZNBQHFQC-MRXNPFEDSA-N 332.363 2.927 50 40 EFGB CCO[Si](OCC)(OCC)c1cccc(O[C@@H]2CCCCO2)c1 575182181 CGJRYALFGOOZKO-QGZVFWFLSA-N 340.492 2.847 50 40 EFGB C/C(=N\NC(=O)COc1ccccc1C)c1cccc([N+](=O)[O-])c1 260073 JOEPNHHJLJDWLN-QGOAFFKASA-N 327.340 2.822 50 40 EFGB CCCCCC(=O)NNC(=O)[C@@H](C)Nc1nc2ccccc2s1 13010210 KYOILYYGBZWRAM-LLVKDONJSA-N 334.445 2.824 50 40 EFGB Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 9332011 WJYTYBNIZHLXFQ-ZDUSSCGKSA-N 347.296 2.920 50 40 EFGB CCOc1ccccc1OCC(=O)N/N=C(\C)c1ccc(C#N)cc1 36270189 NSTCHQADDHHICB-KGENOOAVSA-N 337.379 2.876 50 40 EFGB CN(CC1CCN(C(=O)CCl)CC1)C(=O)OCc1ccccc1 79411880 BTDLBJJSQPDNRM-UHFFFAOYSA-N 338.835 2.732 50 40 EFGB COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)c1 4629472 AVBFPHCHBIBEQB-INIZCTEOSA-N 345.358 2.755 50 40 EFGB CCn1c(NNC(=O)/C=C/c2cccs2)nc2ccccc2c1=O 40489510 AVWVLNKXESBFIC-MDZDMXLPSA-N 340.408 2.634 50 40 EFGB O=C(N/N=C/c1ccccn1)c1cc(-c2c[nH]c3ccccc23)[nH]n1 1869159 BJLMIGIOKUUYOJ-UFFVCSGVSA-N 330.351 2.717 50 40 EFGB CC(C)(C)OC(=O)NNC[C@@H](O)c1ccc(F)c(C(F)(F)F)c1 1615787127 FPMMKRMOYNZKGF-LLVKDONJSA-N 338.301 2.907 50 40 EFGB COc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1O 234119 KWKHCHNCJOBPCB-RQZCQDPDSA-N 349.184 2.927 50 40 EFGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)Cc2ccccc2)c1 358640 BTPFMHKLVRTXJH-UHFFFAOYSA-N 340.423 2.887 50 40 EFGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc2c1OCO2 7931850 PUMLKNITDFADQH-QGMBQPNBSA-N 332.743 2.841 50 40 EFGB O=C(Cc1ccc(-c2ccccc2)cc1)NNC(=O)c1cccnc1 12913271 MCGQBDMFANILQM-UHFFFAOYSA-N 331.375 2.752 50 40 EFGB CC(C)c1noc2ncc(C(=O)NNC(=O)c3ccc(F)cc3)cc12 14183238 HXDJWNXAZJVMNJ-UHFFFAOYSA-N 342.330 2.560 50 40 EFGB CCOC(=O)/C(C#N)=C/Nc1sc2c(c1C(=O)OCC)CCC2 6850287 BPLUXQOIDXYOGB-MDZDMXLPSA-N 334.397 2.796 50 40 EFGB CC(C)[C@@H](C(=O)NNc1ccccn1)[C@H](C)NC(=O)OC(C)(C)C 496626284 SZMNTWZWJIJUHE-GXTWGEPZSA-N 336.436 2.710 50 40 EFGB Cc1ccc(C)c(NCC(=O)NNC(=S)Nc2ccccc2)c1 13522536 NLAZRZKKNKYTRJ-UHFFFAOYSA-N 328.441 2.733 50 40 EFGB Cc1cc(/C=N/NC(=O)CC2(C)OCCO2)c(C)n1-c1ccccc1 58927212 NFNAFXDIBIEPLU-DEDYPNTBSA-N 341.411 2.697 50 40 EFGB CC(=O)Oc1ccccc1/C=N/NC(=O)COc1ccc(C)c(C)c1 4694195 XNZVRXFHHJRCFX-RGVLZGJSSA-N 340.379 2.758 50 40 EFGB O=C(CNc1ccccc1)NNC(=O)CC12CC3CC(CC(C3)C1)C2 8705592 MWEIIHLPJFIEOJ-UHFFFAOYSA-N 341.455 2.852 50 40 EFGB Cc1ccn2c(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)c(C)nc2c1 409013219 MIPDYDUWBZIESN-VCHYOVAHSA-N 337.339 2.623 50 40 EFGB C[C@H]1C=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3)[C@]2(C)CN1C 35366023 XDCMOLBWROZGKQ-ADLFWFRXSA-N 343.434 2.820 50 40 EFGB C[C@@H](Oc1ccc(/C=N\NC(=O)Nc2ccccc2)cc1)C(=O)O 208350268 DHMOCDLGEKRKJF-OTWJJXBCSA-N 327.340 2.694 50 40 EFGB COc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1OC 7158682 KGMNBURNDFUNCA-SFQUDFHCSA-N 336.391 2.970 50 40 EFGB COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1O 253392 JEVNLXMWWMECDI-RQZCQDPDSA-N 349.184 2.927 50 40 EFGB O=C(NNc1ncnc2c1cnn2Cc1ccccc1)c1ccccc1 546487 QHKFQKCJMKLSNQ-UHFFFAOYSA-N 344.378 2.632 50 40 EFGB CCC[C@@H](Oc1ccc(OC)cc1)C(=O)NNCc1ccccc1O 2711791 NHDLAVGPVFKCBX-GOSISDBHSA-N 344.411 2.769 50 40 EFGB CCc1n[nH]c2c1[C@@H](c1cc3c(cc1Cl)OCO3)C(C#N)=C(N)O2 8382601 KCQLLBUQGJHNCT-ZDUSSCGKSA-N 344.758 2.572 50 40 EFGB COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2ccc(F)cc2)cc1 17070971 QAMIDIFGIFMKNP-NHDPSOOVSA-N 338.342 2.988 50 40 EFGB CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)C[C@@H]2COC(=O)C2)C1 521394936 BFCWXKAZHOKDGM-UONOGXRCSA-N 341.524 2.952 50 40 EFGB C/C(=N/NC(=O)c1cc(-c2cccs2)n[nH]1)c1ccc(O)cc1 4312737 OZVOEUQBEJSUEB-YVLHZVERSA-N 326.381 2.998 50 40 EFGB COc1ccc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)cc1[N+](=O)[O-] 100377354 OUKPYGIDMBTLKE-OCSBOJLYSA-N 331.372 2.880 50 40 EFGB O=C1C=C(NNC(=O)COc2ccc(Cl)cc2Cl)CCC1 408948746 DPEAMSCBFGZBCU-UHFFFAOYSA-N 329.183 2.630 50 40 EFGB COc1ccc(OC)c(/C=N/NC(=O)COc2ccc(C)c(C)c2)c1 5547081 WDBYLOOXMUOCIX-RGVLZGJSSA-N 342.395 2.850 50 40 EFGB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)[C@H]1COc2ccccc2O1 245284044 QBCILAIITWHPQZ-LSOSBCFRSA-N 326.396 2.921 50 40 EFGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc([N+](=O)[O-])c1O 12418404 BJMHIOZPTURLJF-KPKJPENVSA-N 339.307 2.855 50 40 EFGB BrC[C@H]1CN[C@](Br)(N2CCCCC2)S1 19318694 KEGOIUYZGLTPNT-DTWKUNHWSA-N 344.116 2.578 50 40 EFGB O=[N+]([O-])c1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2Cl)c([N+](=O)[O-])c1 1598690 GQLQCMKDSNJDKL-GXSJLCMTSA-N 348.764 2.827 50 40 EFGB CCc1sc(C(=O)NNC(=O)[C@H](OC)c2ccccc2)cc1C 61308216 XFFIQYRIFIIEMO-OAHLLOKOSA-N 332.425 2.768 50 40 EFGB CN(C)c1cccc(C(=O)NNC(=O)[C@H]2CCCc3ccccc32)c1 12539339 MQNTZBGFICTZSZ-SFHVURJKSA-N 337.423 2.634 50 40 EFGB COc1ccccc1Nc1ncccc1C(=O)NNC(=O)CC(C)C 24608394 FONTVVMARUZZHD-UHFFFAOYSA-N 342.399 2.641 50 40 EFGB Cc1cc(/C=N\NC(=O)c2ccccc2O)c(C)n1-c1ccccn1 107567561 FVVIPMVUMWHCEP-MTJSOVHGSA-N 334.379 2.959 50 40 EFGB O=C(/C=C/c1cccc(Br)c1)NNC(=O)c1ccco1 8354958 MUVUPSRKGTUMAP-VOTSOKGWSA-N 335.157 2.517 50 40 EFGB COc1ccc(C(=O)N/N=C/c2ccc(O)c(Br)c2)cc1 408726367 NGGRGKHBQRUDSF-RQZCQDPDSA-N 349.184 2.927 50 40 EFGB COc1cccc(/C=N/NC(=O)CSc2ccccc2C)c1O 58610 SWKRNLPZWKDQIV-VCHYOVAHSA-N 330.409 2.952 50 40 EFGB CSc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1 3475617 LRMPTSJJALHPLZ-HKJBKDEOSA-N 328.393 2.699 50 40 EFGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(C)=O)c2C)c1 408966847 NUGNHJYHPADYPA-YBFXNURJSA-N 327.384 2.741 50 40 EFGB CC[C@H]1CCc2sc(C(=O)NNC(=O)c3ccncc3)cc2C1 5173827 FKFJVQXAKGVXET-NSHDSACASA-N 329.425 2.733 50 40 EFGB C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)c1cccc(C)c1O 4550569 MSNZNVZJSBZGGP-CIAFOILYSA-N 343.358 2.974 50 40 EFGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CSc1ccccc1 8238522 CGBNMRKVJXMEHI-GFCCVEGCSA-N 348.399 2.533 50 40 EFGB O=C(N/N=C/c1cccc(Br)c1)[C@H](O)c1ccccc1 487392 PSHNTMVJTLMNKQ-NGWPFTMJSA-N 333.185 2.633 50 40 EFGB O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1cc(-c2ccccc2)on1 103316795 RNPUSSBCPKCDJN-FPMFFAJLSA-N 325.368 2.539 50 40 EFGB O=C1Nc2ccccc2/C1=N\NC(=O)c1ccccc1-n1cccc1 6962248 OVUIILZBIHEJJU-UHFFFAOYSA-N 330.347 2.564 50 40 EFGB COc1cc(OC)cc([C@H]2C(C#N)=C(N)Oc3cc(OC)ccc32)c1 34029143 FDNDSIRQZMJIDA-GOSISDBHSA-N 338.363 2.931 50 40 EFGB COc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1Br 16438067 OHJSEFHLMXSORH-XYOKQWHBSA-N 335.201 2.987 50 40 EFGB CCOc1ccc(/C=N/NC(=O)c2ccc(O)c(OC)c2)cc1OC 1754379 NDXJKZMDIVZLNG-YBFXNURJSA-N 344.367 2.572 50 40 EFGB CCc1cc2ccc(C)c(C)c2nc1SCC(=O)NNC(C)=O 410758 RHBRWNHZWGQQCY-UHFFFAOYSA-N 331.441 2.673 50 40 EFGB Cn1ncc(Br)c1C(=O)N/N=C/c1ccccc1Cl 482906 DPSQIWIKULGZGG-GIDUJCDVSA-N 341.596 2.600 50 40 EFGB COc1cccc(/C=N/NC(=O)COc2cc(C)cc(C)c2)c1O 3578080 VOVSZYPGRZEQGG-VXLYETTFSA-N 328.368 2.547 50 40 EFGB Cn1cc(C(=O)NNC(=O)N2CCc3ccccc3C2)c2ccccc21 9798226 WSQDLXUYMHTJNO-UHFFFAOYSA-N 348.406 2.591 50 40 EFGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(Br)o1 487128 KYDWRWFDWSICMG-REZTVBANSA-N 340.152 2.743 50 40 EFGB CO[C@@H](C(=O)N/N=c1/sc2ccccc2n1C)c1ccccc1 102157058 JUWWFOPAQCAEBM-QFPXGYFVSA-N 327.409 2.559 50 40 EFGB Cc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 59503407 MAKJPZXIYGFENI-RHLNUJDMSA-N 335.407 2.807 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)CNc2ccccc2)cc1[N+](=O)[O-] 59419176 VEZWWHSTUJEOSM-XDHOZWIPSA-N 342.355 2.556 50 40 EFGB COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C#N)cc3)[nH]n2)cc1 5696243 LMTOVIIALCLEHW-CIAFOILYSA-N 345.362 2.721 50 40 EFGB O=C(CBr)Nc1c2c(nn1-c1ccccc1)CSC2 4223291 UVYKHQVJLYPQHW-UHFFFAOYSA-N 338.230 2.953 50 40 EFGB O=C(NNS(=O)(=O)c1ccccc1-c1ccccc1)C1CCCC1 29048582 LALSJCHSENBRKB-UHFFFAOYSA-N 344.436 2.853 50 40 EFGB O=C(NN=C(c1ccccc1)c1ccccc1)[C@@H]1CC(=O)N(C2CC2)C1 29518568 ZCUYSVWUYPHBNE-QGZVFWFLSA-N 347.418 2.566 50 40 EFGB Cc1cc(N2CCOCC2)ccc1/C=N\NC(=O)Nc1ccccc1 409111212 AWAUKKYFLQWHOP-ZHZULCJRSA-N 338.411 2.987 50 40 EFGB N#Cc1ccc(C(=O)N/N=C/c2cccn2-c2ccc(O)cc2)c(F)c1 408968849 ZRTDOTIRMJEDSI-WSDLNYQXSA-N 348.337 2.958 50 40 EFGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc2c(c1)OCO2 239341 FNTMBZPWLDBVJB-QGMBQPNBSA-N 332.743 2.598 50 40 EFGB CC(/C=C/c1ccccc1)=N/NC(=O)Cn1nnc(-c2ccccc2)n1 5369601 RXHMJZGFAABYFN-WMHIFLFESA-N 346.394 2.546 50 40 EFGB O=C(CBr)Nc1ccccc1C(=O)CCBr 4551410 MTOUCLHQIBYYSS-UHFFFAOYSA-N 349.022 2.988 50 40 EFGB O=C(NNC(=O)c1cc2c(s1)CCC2)c1ccc2ccccc2n1 15938693 PZKSEVPDWMOUBW-UHFFFAOYSA-N 337.404 2.860 50 40 EFGB COc1ccc(/C=C/C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1 409060581 UXNDVNOFSGGOAU-OYZPYISSSA-N 340.379 2.876 50 40 EFGB Cc1cccc(O[C@@H](C)C(=O)N/N=C\c2ccc3c(c2)OCO3)c1 32109251 PQFYZDDWOCBJBU-GJUHEBOISA-N 326.352 2.641 50 40 EFGB COCCOC(=O)/C(C#N)=C/c1cccn1-c1ccc(OC)cc1 408954272 SGILHMJLBOXSQJ-WYMLVPIESA-N 326.352 2.582 50 40 EFGB Cc1cc(C)n2nc(C(=O)N/N=C/c3ccc(C(C)C)cc3)nc2n1 131852 HKLZVEAXWSWHLA-VXLYETTFSA-N 336.399 2.628 50 40 EFGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cccc(F)c2)c1C 12812687 DBCPSCDSAXCENG-CYBMUJFWSA-N 330.359 2.671 50 40 EFGB NNC(=O)c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 226306066 BKYFFHMXYZTJKO-UHFFFAOYSA-N 325.151 2.816 50 40 EFGB CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1 2332370 JBLCATSGDYQKLJ-OAHLLOKOSA-N 339.420 2.634 50 40 EFGB Cc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1-n1cncn1 98013809 NSOPLTWXMHXQRF-MHWRWJLKSA-N 345.410 2.958 50 40 EFGB N#Cc1ccc(C(=O)N/N=C/c2ccc(Br)o2)c(F)c1 37462 QBMVUXHRQOIEFE-REZTVBANSA-N 336.120 2.817 50 40 EFGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1ccc2ccccc2c1 3081791 DQCZVVLIJANBAB-FSJBWODESA-N 349.365 2.859 50 40 EFGB Cc1ccc(OCC(=O)N/N=C/c2ccc(Br)o2)cc1 361607 ISJFRUMVLIBJMV-LZYBPNLTSA-N 337.173 2.880 50 40 EFGB CCOc1ccc(/C=N\NC(=O)COc2cc(C)ccc2C)c(O)c1 13575997 HEXXEHFABFAARL-JAIQZWGSSA-N 342.395 2.937 50 40 EFGB CCOc1cc(/C=C(\C#N)C(=O)NCCOC)ccc1OCC(C)C 5953494 VUKUQBXRCCQMMN-MHWRWJLKSA-N 346.427 2.790 50 40 EFGB COc1ccccc1CSC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1 32824242 WWNSSHOORSONLR-LBPRGKRZSA-N 327.409 2.959 50 40 EFGB CCCC(=O)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 3139950 JRHODAVKSVXWJJ-UHFFFAOYSA-N 339.395 2.808 50 40 EFGB CCOC(=O)/C(C#N)=C/Nc1ccc(I)cc1 100206134 RDUQQNNXNJINGT-CMDGGOBGSA-N 342.136 2.674 50 40 EFGB CC(C)OC(=O)COc1ccc(/C=N\NC(=O)c2cccs2)cc1 409186533 DJNMLOPWVNMGJU-ZDLGFXPLSA-N 346.408 2.842 50 40 EFGB COc1cc(C)c(/C=N/NC(=O)c2ccccc2OC)cc1OC 408548596 JJHSVXQWIHMJNM-YBFXNURJSA-N 328.368 2.785 50 40 EFGB CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)C[C@H]2COC(=O)C2)C1 521394937 BFCWXKAZHOKDGM-ZIAGYGMSSA-N 341.524 2.952 50 40 EFGB Cc1cc(C)c(S(=O)(=O)NNC(=O)Nc2ccccc2)c(C)c1 32811033 DKBSRJBCQRLYKV-UHFFFAOYSA-N 333.413 2.627 50 40 EFGB CCO[C@H]1c2sc3nc[nH]c(=O)c3c2CC[C@@H]1Br 126463 ZNNJIQIYDOTXDM-IONNQARKSA-N 329.219 2.772 50 40 EFGB O=C(N/N=C/c1ccccc1)C1CCN(C(=O)c2ccccc2)CC1 409005436 IPBWTQWPSJOGHU-RCCKNPSSSA-N 335.407 2.689 50 40 EFGB C=CCOc1cccc(/C=N/NC(=O)c2ccc(OC)cc2O)c1 409390537 FAXGSEHWGKHOGE-XDHOZWIPSA-N 326.352 2.730 50 40 EFGB O=C(COc1ccccc1)N/N=C/c1cccc(OC2CSC2)c1 408858775 PLZYXNGHOJWSJD-VXLYETTFSA-N 342.420 2.710 50 40 EFGB N#C/C(=C/c1cccc(OCc2ccc(F)cc2)c1)C(=O)NC(N)=O 409245414 SKQBCZRQVHJCDR-ZSOIEALJSA-N 339.326 2.507 50 40 EFGB COc1ccc(NC(=O)C(=O)N/N=C(\C)CCc2ccccc2)cc1 35129156 PBRMMHDYJVBABI-KGENOOAVSA-N 339.395 2.759 50 40 EFGB Cc1ccc(C(=O)NNc2nc(NC(C)C)nc(NC(C)C)n2)cc1 32604268 MGMAXFVNZFJHRV-UHFFFAOYSA-N 343.435 2.578 50 40 EFGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@@H]2[C@H]1c1ccc(Cl)cc1 5570073 FTVQTJNIFPGIEH-KWBADKCTSA-N 342.708 2.611 50 40 EFGB N#C/C(=C\c1ccc(Br)s1)C(=O)NC[C@@H]1CCCO1 16049911 SYYSNMGUFWWWKI-ZKXNXJMVSA-N 341.230 2.713 50 40 EFGB C[C@@H]1C=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3)[C@]2(C)CN1C 35366017 XDCMOLBWROZGKQ-LXGCGDOSSA-N 343.434 2.820 50 40 EFGB CCOC(=O)[C@H](/C(C)=N\NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 101418892 OAFMMMKCPXLOEZ-FMNVXAMXSA-N 335.360 2.536 50 40 EFGB N#CC1=C(N)n2c(nc3ccccc32)N[C@@H]1c1cccc([N+](=O)[O-])c1 3907203 HVCVJZXJCBTEAH-OAHLLOKOSA-N 332.323 2.762 50 40 EFGB Cc1n[nH]c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 6664007 BPYGIGABSSTCPT-GFCCVEGCSA-N 349.163 2.838 50 40 EFGB CCOc1cc(O)cc(/C=N/NC(=O)CN(CC)c2ccccc2)c1 5866025 UFUWYTLKGQUWEO-DEDYPNTBSA-N 341.411 2.768 50 40 EFGB O=C(Cc1ccc(OC(F)F)cc1)NNc1ccccc1[N+](=O)[O-] 32747743 CLQXYZORVRNXLJ-UHFFFAOYSA-N 337.282 2.882 50 40 EFGB C/C(=N\NC(=O)CN1CCCc2ccccc21)c1scnc1C 41699884 FVNLDYZJJRVSNJ-CPNJWEJPSA-N 328.441 2.745 50 40 EFGB O=C(O)CC[C@]1(Br)CCCC[C@@H](Br)C1=O 1622288 CRVUUUNYECMFEJ-GMSGAONNSA-N 342.027 2.892 50 40 EFGB COc1cc(/C=C(\C#N)C(N)=S)cc(Br)c1OC 408542421 ISAXMDBKHKEANI-FPYGCLRLSA-N 327.203 2.659 50 40 EFGB N[C@@H](Cc1ccc(O)cc1)C(=O)N/N=C\c1cccc2ccccc12 31769487 ADVXAPOTWUUMTF-CVHFWEDTSA-N 333.391 2.566 50 40 EFGB Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 4600249 WZXVCIBDPGZTQQ-UHFFFAOYSA-N 332.787 2.797 50 40 EFGB COc1ccc(/C=N/NC(=O)c2ccc(N(C)C)cc2)cc1OC 17067013 UPVLXAHNFVSTMS-XDHOZWIPSA-N 327.384 2.534 50 40 EFGB CCOc1cc(/C=N/NC(=O)COc2ccccc2)cc(Cl)c1O 408526841 HGIJKQOMXNNWEO-VXLYETTFSA-N 348.786 2.973 50 40 EFGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(N)=O)cc2)cc1C 408810017 HZKSSUITTHKKSL-MHWRWJLKSA-N 349.390 2.713 50 40 EFGB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2/C(Cc1ccccc1)=N\NC(N)=O 245240370 PNTISAYRPWEGBH-BADFJMHTSA-N 327.428 2.895 50 40 EFGB COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1O 487272 OLQAOTRMPRESST-CNHKJKLMSA-N 348.742 2.547 50 40 EFGB Cc1cc(C)cc(OCC(=O)N/N=C/c2ccccc2C(=O)O)c1 3578213 UBKHCYDIYKMYMO-VXLYETTFSA-N 326.352 2.531 50 40 EFGB COCCOC(=O)/C(C#N)=C/c1cccn1-c1ccc(N(C)C)cc1 408954641 UHGPCMSJINZHRS-FYWRMAATSA-N 339.395 2.640 50 40 EFGB Cc1nn(C)c(F)c1/C=N/NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 252481105 CHSWUIWJUISIQD-VIBUVZDWSA-N 334.782 2.775 50 40 EFGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cnn(-c2ccccc2)c1 253395471 BXYHVHNWZYDJCP-KRWDZBQOSA-N 332.363 2.687 50 40 EFGB CC1(C)CC(=O)C/C(=N\NC(=O)c2ccc(NC(=O)C3CC3)cc2)C1 100014986 VSDNPJLYZXJDTL-RCCKNPSSSA-N 341.411 2.900 50 40 EFGB O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 244459 MZBWOGPLJGJAGC-UHFFFAOYSA-N 345.207 2.617 50 40 EFGB CSc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1 59444363 VQNIMYXCNBDXSS-VCHYOVAHSA-N 331.372 2.636 50 40 EFGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1C)c1cccc([N+](=O)[O-])c1 59921092 VFJIUUAVOZTPCG-GZTJUZNOSA-N 342.311 2.965 50 40 EFGB C=CCNC(=O)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 6303771 ULSPUVBIBICZKJ-LPYMAVHISA-N 331.375 2.745 50 40 EFGB CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OC(C)C 370308 JTIZJOHNBCLMBZ-FRKPEAEDSA-N 344.209 2.637 50 40 EFGB CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)CSc1nnc(N)s1)C2 102446738 KPQWGQUYYCITLX-KPVKLQLKSA-N 339.490 2.531 50 40 EFGB CCOc1cc(SCC)ccc1C1C(C#N)=C(N)OC(N)=C1C#N 125734 FSEXTNVYJUISBX-UHFFFAOYSA-N 342.424 2.699 50 40 EFGB O=C(CCc1cccs1)NNC(=O)Cc1c[nH]c2ccccc12 9503708 IUEAPNOHBJAPHE-UHFFFAOYSA-N 327.409 2.552 50 40 EFGB N/C(=N\[C@H](NC(=O)c1ccccc1)C(Cl)Cl)c1ccccc1 97946895 SIAHQEGHXNRPBE-OAHLLOKOSA-N 336.222 2.952 50 40 EFGB C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 5920256 HHSZRCQDGVWDNM-FRBCETDXSA-N 345.355 2.600 50 40 EFGB CC[C@H]1S/C(=C(/C#N)C(=O)NC)N(c2ccc(Cl)cc2)C1=O 2344172 LEFNURAOXRNMBB-QJMZJAKPSA-N 335.816 2.680 50 40 EFGB COc1ccc(N2C(S)=C(C#N)C(=O)N[C@@H]2c2ccco2)cc1 352240 LBVCPVJJTNENHT-AWEZNQCLSA-N 327.365 2.588 50 40 EFGB CN(C)c1cccc(OCC(=O)N/N=C/c2ccc(Cl)s2)c1 563976 RHQHRONJDZVQLT-RQZCQDPDSA-N 337.832 2.997 50 40 EFGB COc1cc(Br)ccc1C(=O)N/N=C/c1cccnc1 126260 IFVPFFRMZGPIPS-RQZCQDPDSA-N 334.173 2.617 50 40 EFGB CCCCC(=O)N/N=C/c1ccc(I)cc1 1704801 XGECHZBRBLZNPZ-NTEUORMPSA-N 330.169 2.932 50 40 EFGB Cc1ccc(OCC(=O)N/N=C/C=C/c2ccco2)c([N+](=O)[O-])c1 1952804 SUKYZDRQGNFEGQ-RJMXLKIRSA-N 329.312 2.690 50 40 EFGB CCn1cc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)n1 2758559 BDJZAFHGXFNFFT-WMLDXEAASA-N 332.411 2.805 50 40 EFGB O=C(Cl)c1cc([N+](=O)[O-])c(NCc2cccnc2)c([N+](=O)[O-])c1 26508948 WMVXYONZYWMZGD-UHFFFAOYSA-N 336.691 2.889 50 40 EFGB CCn1ncc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)c1F 252490707 KZHJLPWVJZSOIO-DJKKODMXSA-N 340.362 2.505 50 40 EFGB CCOC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N1CCCC1 6674918 PTCNTVGCMJYNJA-CPNJWEJPSA-N 341.415 2.861 50 40 EFGB Cc1ccc(NCC(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c(C)c1 107325496 SZZLXOTWWJNPAT-HRCADAONSA-N 329.444 2.689 50 40 EFGB COC(=O)N/N=C/c1ccc(OCCOc2ccccc2OC)cc1 4525966 RLBYMLVZRUOPHU-CPNJWEJPSA-N 344.367 2.843 50 40 EFGB O=C(N/N=C/c1cccc(Cl)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 409272494 ZFNYCBJZYOKTMA-XLTHYULKSA-N 341.798 2.843 50 40 EFGB COC(=O)c1ccc([C@@H]2NC(=S)NC(C(C)(C)C)=C2C#N)cc1 409371013 AFXHHUWGYVXMEV-ZDUSSCGKSA-N 329.425 2.816 50 40 EFGB CCOc1cc2c(cc1/C=N\NC(=O)Cc1ccc(F)cc1)OCO2 409251213 UBKULTYOBSMGAT-JMIUGGIZSA-N 344.342 2.646 50 40 EFGB CCCOc1cccc(C(=O)n2cc(C(=O)NN)c3ccccc32)c1 216957021 AKFLQEBFPFJOEB-UHFFFAOYSA-N 337.379 2.722 50 40 EFGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1OC 8228896 NEEBGGNZKMYOOF-XDHOZWIPSA-N 328.368 2.866 50 40 EFGB CCOc1cc(/C=N/NC(=O)CNc2ccccc2C)ccc1O 60457 OAZKCFFHZFUOEH-RGVLZGJSSA-N 327.384 2.662 50 40 EFGB CC(C)/N=C1/S[C@@H]2CS(=O)(=O)[C@@H](Br)[C@@]2(C)S1 17209029 LGLVMTROHNJGDS-AQQXQQAISA-N 344.321 2.508 50 40 EFGB CC[C@]1(C)Cc2ccccc2C(NC(=O)N2CCOCC2)=C1C#N 27534138 FTTGWZZTGUJBLY-LJQANCHMSA-N 325.412 2.935 50 40 EFGB Cc1csc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n1 2616889 UPAHOHLPFSZYIF-UHFFFAOYSA-N 341.845 2.658 50 40 EFGB COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccccc2Cl)c1O 13896968 JMWJYFVATJFSTC-IUXPMGMMSA-N 349.730 2.726 50 40 EFGB CSc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1 32181179 RCCDSDNVBBVHHA-WOJGMQOQSA-N 327.409 2.806 50 40 EFGB CCCCC(=O)NN/C=C1/C(=O)N(c2cccc(Cl)c2)N=C1C 98087110 NBVACJDUFVHOBC-GXDHUFHOSA-N 334.807 2.757 50 40 EFGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C[C@H]1C1CC1 19203634 CQTYXSGRDPSVHK-HOCLYGCPSA-N 333.351 2.878 50 40 EFGB C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 5620655 HNVZDCOBFDUYGI-BOPFTXTBSA-N 342.311 2.586 50 40 EFGB COc1cccc(C[C@H](C)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1 59208 GIHDOZHAGXITGG-HCZVKUGISA-N 341.367 2.932 50 40 EFGB C/C(=N/NC(=O)c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 206104 OMALIOVWYOMVRR-WQRHYEAKSA-N 341.323 2.520 50 40 EFGB Cc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)s1 525494 KCNUZIAKHUHBSE-SGPNVBEDSA-N 327.409 2.560 50 40 EFGB N#CC(C#N)=C(C#N)N(CC(F)(F)C(F)F)CC(F)(F)C(F)F 3202308 NCJPPBLCLBABFQ-UHFFFAOYSA-N 346.181 2.914 50 40 EFGB CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4cccs4)[C@@H]3[C@H]1CC2 72336278 VCWFGDAOTFYHFQ-ISGYEWALSA-N 347.447 2.634 50 40 EFGB O=C(CC1(C(=O)O)CCCCC1)NNC(=O)c1ccc(Cl)cc1 13255638 VUXYNQMJEALRJL-UHFFFAOYSA-N 338.791 2.526 50 40 EFGB CCOc1cc(/C=N/NC(=O)CNc2cccc(C)c2)ccc1O 223616 XDJHABBFJFWJCL-RGVLZGJSSA-N 327.384 2.662 50 40 EFGB O=C(COc1cccc([N+](=O)[O-])c1)N/N=C/C=C/c1ccccc1 3131218 XPMPOYHEHWROSV-OKSYWBHRSA-N 325.324 2.789 50 40 EFGB C[N+](C)(C)CCOCCP(=O)(c1ccccc1)c1ccccc1 1866818 CEPXJLVLNYCLKB-UHFFFAOYSA-N 332.404 2.723 50 40 EFGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)NC(C)C)cc1OC 4602973 JTNRMPYZOJEATM-NTUHNPAUSA-N 332.787 2.792 50 40 EFGB NNC(=O)c1ccc2nc(-c3cncc(Br)c3)sc2c1 73635232 XJGJYUYPTWACMT-UHFFFAOYSA-N 349.213 2.724 50 40 EFGB Cc1cc(C)cc(OCC(=O)n2cc(C(=O)NN)c3ccccc32)c1 218738817 RCWVOGGBFHYDFD-UHFFFAOYSA-N 337.379 2.581 50 40 EFGB COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1Br 562568 UVAFSAUICANJQE-RQZCQDPDSA-N 349.184 2.927 50 40 EFGB CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CI 72233749 NDQMDDFCALTAFE-YUMQZZPRSA-N 329.153 2.769 50 40 EFGB Cc1cc(C(=O)NNC(=O)c2ccc(Br)cc2)c(C)o1 3621531 VUNWJXFEXKJEOA-UHFFFAOYSA-N 337.173 2.734 50 40 EFGB CCOC(OCC)c1ccc(/C=C(/C#N)C(=O)/N=C/N(C)C)cc1 100220169 INIZUGMKKCFKIZ-ZJZHMBDPSA-N 329.400 2.782 50 40 EFGB CCCCOc1ccc(C(=O)NNC(=O)c2ccoc2)cc1OC 12695771 XAVLIBADZMKOCA-UHFFFAOYSA-N 332.356 2.542 50 40 EFGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(O)c(O)c1 408719387 DCPFPOYIXJURIR-SGEFVQMOSA-N 330.409 2.870 50 40 EFGB Cc1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2)o1 580609 AMQNRHOTVBBWAQ-CAOOACKPSA-N 336.189 2.913 50 40 EFGB CC(C)CC(=O)NNC(=O)COc1ccccc1Cc1ccccc1 12910282 UKEQVHGQGMVFRT-UHFFFAOYSA-N 340.423 2.850 50 40 EFGB COc1ccc(C(=O)N/N=C(\CCC(=O)O)c2ccccc2)cc1 17066724 OGJLMQUVTRKLCN-KNTRCKAVSA-N 326.352 2.694 50 40 EFGB CCc1ccc(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)cc1 409359224 AJNLLRLIQIHBKQ-WQRHYEAKSA-N 327.340 2.556 50 40 EFGB Cn1nc(-c2ccccc2)nc1/C(C#N)=C/c1cn(C(C)(C)C)nn1 585136056 OATYWIGFEAKQBO-GXDHUFHOSA-N 333.399 2.893 50 40 EFGB Cc1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] 5942721 WATBLUCFFBFDQF-CXUHLZMHSA-N 328.284 2.575 50 40 EFGB Cc1nn(C)c(C(=O)N/N=C/C[C@@H](C)c2ccccc2)c1[N+](=O)[O-] 5697020 JUHJXMSUEBJFFE-JDAJCMJVSA-N 329.360 2.546 50 40 EFGB C[C@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)[C@H]1CC=CCC1 8984367 YOCRLSGLKBGOGE-RYUDHWBXSA-N 344.440 2.600 50 40 EFGB Cc1nc(-c2cccs2)sc1C(=O)NNC(=O)c1cccnc1 9450239 JFJZEDCEAPGZBI-UHFFFAOYSA-N 344.421 2.650 50 40 EFGB Cc1noc(C)c1CCC(=O)NNC(=O)c1oc2ccccc2c1C 7541261 ZKWBEHVKCJXGPU-UHFFFAOYSA-N 341.367 2.740 50 40 EFGB CCCCc1ccc(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)cc1 40177596 BARXPXNXVZCIKL-OAHLLOKOSA-N 343.876 2.788 50 40 EFGB CC(=O)N/N=C/c1ccccc1OCc1nc2ccccc2nc1C 16265476 CGOOZIXYROMQIR-RGVLZGJSSA-N 334.379 2.987 50 40 EFGB CCOc1ccc(C(=O)NNC(=O)c2ccccc2F)cc1OCC 509109 ZUZOVGZCZMRNST-UHFFFAOYSA-N 346.358 2.698 50 40 EFGB Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)c1ccco1 12753286 GSYHJMNRIYQHFP-UHFFFAOYSA-N 336.775 2.862 50 40 EFGB ClCCN(CCCl)/N=C\C=N\N(CCCl)CCCl 104391796 JHTSLXQJZAERLU-OPCYYNASSA-N 336.094 2.517 50 40 EFGB Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)c1ccncc1 15273370 ICKXTTHDKJRIDF-UHFFFAOYSA-N 347.802 2.664 50 40 EFGB COc1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 5358713 RPFZNEKAAGBRFP-CGOBSMCZSA-N 346.202 2.978 50 40 EFGB COc1ccc(C(=O)N/N=C2/C(=O)N(C(C)C)c3ccccc32)cc1 8228872 QGOIKFHPFFSORG-LVZFUZTISA-N 337.379 2.584 50 40 EFGB Cc1ccccc1C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1 5508157 UPRBWOHJESWHIZ-UHFFFAOYSA-N 333.347 2.994 50 40 EFGB CCC(=O)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 2690754 CKFHOZGBWJOIJO-UHFFFAOYSA-N 341.845 2.600 50 40 EFGB CN(C)C1=NP(N(C)C)(N(C)C)=NC(c2ccccc2)=C1C#N 4195472 SEMLPCMAHIOFQO-UHFFFAOYSA-N 330.376 2.964 50 40 EFGB N#C/C(=C/c1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 35404022 ODYPMXLIFFAWFI-HKWRFOASSA-N 331.419 2.938 50 40 EFGB CC/C(=N\NC(=O)Cc1nc2ccccc2n1C)c1ccc(O)cc1 45333978 FDMKBBNZPSIWMR-RCCKNPSSSA-N 336.395 2.752 50 40 EFGB C=CCOc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1 44394158 RABWLGGVMOTTSR-BAOGCXAUSA-N 338.363 2.542 50 40 EFGB CCOC(=O)C(OCCO[Si](C)(C)C(C)(C)C)C(=O)OCC 1857793253 ZNCZBKOGXCDJIP-UHFFFAOYSA-N 334.485 2.520 50 40 EFGB O=C(N/N=C/c1ccccc1OC(=O)c1ccco1)c1cccnc1 59087 AGXGOXRSWQTMFY-UDWIEESQSA-N 335.319 2.658 50 40 EFGB Cn1cccc1[C@]1(C(F)(F)F)NN(c2ccccc2)C(N)=C1C#N 140898 NXEPAOZYXLKMBK-OAHLLOKOSA-N 333.317 2.501 50 40 EFGB COc1ccc(O)c(/C=N/NC(=O)[C@H](C)Nc2cccc(C)c2)c1 234283 OTIRQGUKERWETN-MDBUFAAASA-N 327.384 2.660 50 40 EFGB Cn1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc21 109020416 QUBPUARYCXMYAL-ODLFYWEKSA-N 336.351 2.779 50 40 EFGB CO[C@H](C(=O)N/N=C(\C)c1ccc(NC(C)=O)cc1)c1ccccc1 408719866 NNNSTMJEJCWKNN-LANLRWRYSA-N 339.395 2.873 50 40 EFGB COc1ccc(NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1 5274158 PIKDFUXHHPDNDV-UHFFFAOYSA-N 335.816 2.980 50 40 EFGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)c1cccc(C)c1 408969287 KTGPDGJLRLJEML-ZDLGFXPLSA-N 343.339 2.684 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)c2ccc3c(c2)OCO3)c(OC)c1 19720180 UFFRQLLKUOEPKD-YBFXNURJSA-N 342.351 2.587 50 40 EFGB C/C(=N\NC(=O)COc1ccc(C)cc1[N+](=O)[O-])c1cccs1 345698 YGTOWVYTOUSVQU-LFIBNONCSA-N 333.369 2.884 50 40 EFGB CCc1ccc(NC(=O)CCC(=O)N/N=C/c2ccccc2O)cc1 3101343 VLGGXSROEYZCOE-DEDYPNTBSA-N 339.395 2.824 50 40 EFGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2C)cc1 9200665 WJBOCAMNPJWHGX-UDWIEESQSA-N 340.379 2.701 50 40 EFGB CC[C@H]1CC/C(=N\NC(=O)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)C1 84735443 OKPQDIZFDKQUGL-GTQCHLIPSA-N 346.456 2.826 50 40 EFGB N#CC(C(=O)COC(=O)Cc1ccsc1)=C1Nc2ccccc2N1 2627202 WHSLVOCFPDJNCI-UHFFFAOYSA-N 339.376 2.676 50 40 EFGB CCN(CC)c1ccc(C(=O)NNC(=O)c2sccc2C)cc1 5689773 MUCKWVKNCSIEGJ-UHFFFAOYSA-N 331.441 2.978 50 40 EFGB Cc1ccc(COc2ccc(Br)cc2C(=O)NN)cc1 226319299 SLCIDTBZYQLELO-UHFFFAOYSA-N 335.201 2.940 50 40 EFGB C=CCOc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCC)cc1 2268005 KUQSFUUHQNDVMF-KRWDZBQOSA-N 340.379 2.896 50 40 EFGB CN(C(=O)CCl)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 100178140 IJVQGZRVBWYUKE-GASCZTMLSA-N 338.835 2.921 50 40 EFGB Cc1c(Cl)ccc(OCC(=O)NNC(=O)c2cccs2)c1C 1926729 UEKMFXIZJKKGNF-UHFFFAOYSA-N 338.816 2.858 50 40 EFGB CCOc1c(Cl)cc(/C=N/NC(=O)c2cccnc2)cc1OC 3437326 QACBTMSTRDKVSI-DJKKODMXSA-N 333.775 2.906 50 40 EFGB Cc1ccc(C(=O)NNC(=O)c2ccc(-c3cnco3)cc2)s1 84205199 YHOBJPKUJJEYDV-UHFFFAOYSA-N 327.365 2.786 50 40 EFGB Cc1ccc(OCC(=O)NN=Cc2cccc([N+](=O)[O-])c2)c(C)c1 254468233 WZAOZNPNDACUKC-UHFFFAOYSA-N 327.340 2.741 50 40 EFGB OC[C@@H]1CO[C@@](CBr)(c2ccc(Cl)cc2Cl)O1 44710200 KWVAKSFLLNZGBK-LDYMZIIASA-N 342.016 2.949 50 40 EFGB in-vitro Cc1[nH]c(C#N)c(C)c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 32756 ZCVNKGYAQHYLMU-INIZCTEOSA-N 336.395 2.954 50 40 EFGB COc1cccc(C(=O)NNC2=CC(=O)C[C@@H](c3ccccc3)C2)c1 268479 HCWUEERSAYTHHS-INIZCTEOSA-N 336.391 2.960 50 40 EFGB CN1[C@H]2CC[C@@H]1C=C1C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccsc3)[C@@H]12 102670989 FJJCTRCHQLJSEN-ZCPGHIKRSA-N 347.447 2.634 50 40 EFGB Cc1cccc(C(=O)Nc2ccccc2C(=O)NNC(=O)C(C)C)c1 409003864 VPVOLGGSJAITKC-UHFFFAOYSA-N 339.395 2.664 50 40 EFGB COc1cccc(/C=N\NC(=O)c2cn(C)c3ccccc23)c1OC 33330135 VYTBFTCEWZJRMO-JAIQZWGSSA-N 337.379 2.959 50 40 EFGB CCOC(=O)C1=C(CCl)OC(/N=C/N)=C(C#N)[C@@H]1c1ccccc1 226762153 XXXRJZFVRHLIOZ-AWEZNQCLSA-N 345.786 2.579 50 40 EFGB C[C@]12CO[C@]3(C(=O)NNc4ccc([N+](=O)[O-])cc4)C[C@H]1CC[C@@]23C 102899934 JXPWGQRXSSSLGE-HSHDSVGOSA-N 331.372 2.633 50 40 EFGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1 4113755 HJFPPLWLJNHLLI-LPYMAVHISA-N 337.423 2.885 50 40 EFGB CSc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1 409148473 ZJSQLUJWIXARSU-WOJGMQOQSA-N 327.409 2.806 50 40 EFGB CCOc1ccc(CC(=O)N/N=C\c2ccccc2[N+](=O)[O-])cc1 408711614 BNMFMMHMRYNZKF-PDGQHHTCSA-N 327.340 2.686 50 40 EFGB O=C(O)c1cccc(-n2cccc2/C=N/NC(=O)c2ccc(O)cc2)c1 409107377 RIBQTRZSLCXMNJ-UDWIEESQSA-N 349.346 2.645 50 40 EFGB COc1ccc(C(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)c(O)c1 409390309 CIUSQUCXHYVEKF-YBFXNURJSA-N 344.367 2.572 50 40 EFGB C/C(=N/NC(=O)COc1cccc(C)c1)c1ccc([N+](=O)[O-])cc1 12575899 JQXUKOJKVAURDO-AQTBWJFISA-N 327.340 2.822 50 40 EFGB CCc1ccccc1NC(=O)CCNC(=O)[C@H](Br)CC 15423185 GFGOETXPZXFCQG-GFCCVEGCSA-N 341.249 2.867 50 40 EFGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccccc1-n1cccc1 3468628 WPZFOQCNMQMZEX-UDWIEESQSA-N 333.347 2.970 50 40 EFGB N#C/C(=C/c1ccccc1OCc1ccccc1F)C(=O)NC(N)=O 409242060 QABNCVMUTUTLQR-ZROIWOOFSA-N 339.326 2.507 50 40 EFGB COc1ccc([C@H](NC(=O)NNC(=O)c2cccs2)C2CC2)cc1 14135733 DZUIEHNCNKWRCC-OAHLLOKOSA-N 345.424 2.852 50 40 EFGB O=C(N/N=C\c1ccc(N2CCCC2)c(F)c1)c1cccc(O)c1 409101713 XJWHYPCPCINQLU-NDENLUEZSA-N 327.359 2.895 50 40 EFGB O=C(CC(=O)N/N=C\c1ccc(Cl)cc1)NCCc1ccccc1 32116915 QNBHJCQBXDDHAJ-BKUYFWCQSA-N 343.814 2.539 50 40 EFGB COc1ccc2cc([C@H](C)C(=O)NNC(=O)c3cccnc3)ccc2c1 12909862 LJQMMDXFMHJSHR-ZDUSSCGKSA-N 349.390 2.808 50 40 EFGB N#C/C(C(N)=O)=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 409386478 FQAIXIZJYUKIRW-JQIJEIRASA-N 337.766 2.649 50 40 EFGB Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)Cc1cccn1C 16719621 XBLQCICLFKJPHC-MOSHPQCFSA-N 335.411 2.520 50 40 EFGB CCOC(=O)[C@@H](CC)/C(C)=N\NC(=O)COc1cc(C)cc(C)c1 408947868 BMOAFBNPFPKVLI-UYPHOHSBSA-N 334.416 2.764 50 40 EFGB Cc1ccc(C(=O)N/N=C/c2cc(Br)c(O)cc2O)o1 48518 UUKFBWLCJSULJA-GIDUJCDVSA-N 339.145 2.526 50 40 EFGB C/C(=N\NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 14921582 XSMSYIFGFIQTEH-SRZZPIQSSA-N 347.777 2.749 50 40 EFGB CCCN1CC=C2[C@@H](C1)[C@H](c1ccsc1)C(C#N)=C(N)C2(C#N)C#N 36044805 PWHPYBBLANZBOJ-NVXWUHKLSA-N 349.463 2.883 50 40 EFGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)C(=O)NC1CC1 3663621 WGAROQIAQGRASW-CIAFOILYSA-N 331.375 2.722 50 40 EFGB COc1cccc(/C(C)=N/NC(=O)COc2ccccc2OC)c1 5164348 WANXFCAXQZHFTC-CPNJWEJPSA-N 328.368 2.623 50 40 EFGB COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)cc(OC)c1O 7158924 VNMICWGNCUYEOV-MDWZMJQESA-N 340.383 2.791 50 40 EFGB Cn1cccc1/C=N\NC(=O)COc1cc(Cl)ccc1Cl 30734308 FUWLZVBBQIZWFK-IUXPMGMMSA-N 326.183 2.861 50 40 EFGB Cc1nn(C)c(F)c1/C=N/NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 252481103 CHSWUIWJUISIQD-VHCMUOAASA-N 334.782 2.775 50 40 EFGB CN(C)c1ccc(C(=O)N/N=C/c2ccc(N(C)CCC#N)cc2)cc1 3161629 JDUBSOGBSIBHAV-PXLXIMEGSA-N 349.438 2.866 50 40 EFGB COc1ccc(-c2n[nH]c3c2[C@@H](c2ccoc2)C(C#N)=C(N)O3)cc1 426229 BFSQCCRPEGKUFZ-AWEZNQCLSA-N 334.335 2.896 50 40 EFGB CCCC(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 2134293 YRVQRLFEULZKAK-UHFFFAOYSA-N 346.214 2.660 50 40 EFGB CCSc1oc(C)cc1[C@@H]1C(C#N)=C(N)OC(C)=C1C(=O)OC 2752028 QQRRIVORYCDSKY-CYBMUJFWSA-N 334.397 2.955 50 40 EFGB Cc1occc1C(=O)NNC(=O)c1ccc(F)cc1Br 14244859 HJRDULJUDLAUPV-UHFFFAOYSA-N 341.136 2.564 50 40 EFGB N#CC(C(=O)COc1ncnc2ccccc12)=C1Nc2ccccc2N1 6538309 AVFFKCMVAKYGPK-UHFFFAOYSA-N 343.346 2.850 50 40 EFGB CCCN1C(=O)/C(=N\NC(=O)c2ccc(O)cc2)c2cc(C)ccc21 6636557 LXMVPJQBXZWWDZ-JZJYNLBNSA-N 337.379 2.591 50 40 EFGB O=C(N/N=C\C=C\c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 15938314 YHXKEUCZANLEJR-IHGSSGOFSA-N 340.295 2.932 50 40 EFGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cccs2)cc1 408995179 ANHUTVWYJPVMQF-YBFXNURJSA-N 329.425 2.638 50 40 EFGB C[C@@H]1Cc2cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)ccc2O1 408710656 CSKZMVFEQHWKBZ-IPHDDYSGSA-N 325.324 2.682 50 40 EFGB CCOc1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1 493418 OLGVQHILFOWVBW-XDHOZWIPSA-N 325.368 2.808 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)CNc2ccc(C)cc2)cc1OC 59026 MSWOJGSWIJJHQT-KGENOOAVSA-N 341.411 2.965 50 40 EFGB CC(C)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 7735203 VGHYNXHJNJJRIK-UHFFFAOYSA-N 333.215 2.956 50 40 EFGB Nc1ccccc1C(=O)NNC1=C(C(=O)C(F)(F)F)CCCCC1 59489004 BKQGWTIVQGVRGQ-UHFFFAOYSA-N 341.333 2.853 50 40 EFGB CCOc1cccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c1 408588304 IZIKRJJOANNWPU-YBFXNURJSA-N 326.352 2.507 50 40 EFGB O=C(N/N=C/c1ccco1)C(=O)Nc1cc(Cl)cc(Cl)c1 13922678 OKIVJALYKIOROO-FRKPEAEDSA-N 326.139 2.675 50 40 EFGB Cc1ccccc1NCC(=O)N/N=C\C=C\c1ccc2c(c1)OCO2 5337883 VFQKMGDFOHNTBV-SHYYXUARSA-N 337.379 2.951 50 40 EFGB Cc1cc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)nc(Cl)n1 2559296 ZDZMRLVYSMQVKV-UHFFFAOYSA-N 340.170 2.558 50 40 EFGB COc1ccc(N2C(S)=C(C#N)C(=O)N[C@@H]2c2ccccc2)cc1 818294 VKNUKWJBTGJASX-INIZCTEOSA-N 337.404 2.995 50 40 EFGB O=C(CCCCl)NC(=S)Nc1ccc(Cl)c(C(=O)O)c1 6861870 AEHNTTXZFALYHP-UHFFFAOYSA-N 335.212 2.870 50 40 EFGB CCC[C@H](Br)C(=O)NCCC(=O)Nc1cccc(F)c1 8733097 LMSLSNYQAXEJPS-LBPRGKRZSA-N 345.212 2.834 50 40 EFGB CN(C)c1ccc(-n2cccc2/C=N/NC(=O)c2ccccn2)cc1 408857317 LXFGOCBOPPCNMC-KGENOOAVSA-N 333.395 2.702 50 40 EFGB COc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(OC)c1C 408967024 OTVJJOWCQMTUKU-UFFVCSGVSA-N 341.342 2.787 50 40 EFGB CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)C[C@@H]2COC(=O)C2)C1 521394934 BFCWXKAZHOKDGM-KBPBESRZSA-N 341.524 2.952 50 40 EFGB CCOC(=O)[C@H](/C(C)=N\NC(=O)c1ccc([N+](=O)[O-])cc1)C(C)C 4576044 ALBUMGNZFOLGFX-FMNVXAMXSA-N 335.360 2.536 50 40 EFGB CCN1CC=C2[C@H](C1)[C@H](c1ccc(F)cc1)C(C#N)=C(N)C2(C#N)C#N 34914866 IPDWVMRORUAOOV-FUHWJXTLSA-N 347.397 2.571 50 40 EFGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(O)cc1 251783 NJLBZVDVCODQOG-GIJQJNRQSA-N 348.200 2.717 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)c2ccc3c(c2)OCCO3)cc1 14921694 KPYWENOGWXFNKF-XDHOZWIPSA-N 326.352 2.620 50 40 EFGB COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccn(C)n2)c1C 26406307 YXNMPDFTGYZCOU-BPKVKKHESA-N 341.415 2.592 50 40 EFGB CC1CCN(C(=O)c2ccc(NC(=O)CBr)cc2)CC1 35605208 PWHUFYRBZRSTKJ-UHFFFAOYSA-N 339.233 2.892 50 40 EFGB O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(Cl)c1 4151108 KIMCHSAXAARVER-UHFFFAOYSA-N 336.691 2.913 50 40 EFGB O=C(Cc1nc(-c2ccccc2)cs1)NNC(=O)c1ccccc1 14066743 COPFZDCIJMSZJL-UHFFFAOYSA-N 337.404 2.814 50 40 EFGB COc1ccc(Cl)cc1C(=O)NNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 104121078 ASSYVGJIICFURG-SDDRHHMPSA-N 336.819 2.936 50 40 EFGB COc1ccc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1 1095516 DWMRKRTXPGCGPW-OBGWFSINSA-N 347.418 2.951 50 40 EFGB COc1cccc(CC(=O)NNC(=O)Cc2cccc3ccccc23)c1 12061235 SFRMKOMFTUSVDL-UHFFFAOYSA-N 348.402 2.781 50 40 EFGB CCOc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OC 5906399 AXYFYOARQLPTFD-XDHOZWIPSA-N 328.368 2.866 50 40 EFGB COC(=O)c1ccc(/C=N/NC(=O)COc2c(C)cccc2C)cc1 218440 GDOODOOQYRWCIQ-RGVLZGJSSA-N 340.379 2.619 50 40 EFGB COc1cccc(/C=N/NC(=O)COc2c(C)cccc2C)c1OC 434830 CIVBAHWNSLFALT-RGVLZGJSSA-N 342.395 2.850 50 40 EFGB CCOC(=O)COc1cccc(/C=N/NC(=O)c2ccccc2C)c1 9201895 PFKRIUZHUGKJQT-UDWIEESQSA-N 340.379 2.701 50 40 EFGB CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)CCl)cc2C1 3327243 JOKIKXBTFOWSCI-SNVBAGLBSA-N 328.865 2.899 50 40 EFGB COc1ccc(OCCCOc2cccc(/C=N/NC(N)=O)c2)cc1 4602009 PFFCEGDWSAMHIZ-DEDYPNTBSA-N 343.383 2.545 50 40 EFGB N#CC(/C=C1/Nc2ccccc2C1=O)=C(\N)NCCc1ccccc1 17299523 GVKZFBIWLZGQEQ-DDDFCTNJSA-N 330.391 2.705 50 40 EFGB N#CC1=C(N)N(/N=C\c2ccccc2)[C@@H](c2ccccc2)C1(C#N)C#N 31870890 AUBYSFDBSAOOQJ-OCBWPWIBSA-N 338.374 2.805 50 40 EFGB Cc1csc(SCc2ccccc2C(=O)NNC(=O)C2CC2)n1 49946657 OAMPUHXIFUSTDE-UHFFFAOYSA-N 347.465 2.915 50 40 EFGB Cc1cc(C)nc(NNC(=O)CCc2nc3ccccc3s2)n1 14512070 UREDWTQINHFKMJ-UHFFFAOYSA-N 327.413 2.779 50 40 EFGB C/C(CC(=O)Nc1ccc(F)cc1F)=N\NC(=O)c1ccccc1O 100793644 NVYADHNFQOVTNB-UFFVCSGVSA-N 347.321 2.805 50 40 EFGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc3c(c2)OCO3)c1C 12843988 QHQAPHFXPGMZCY-AWQFTUOYSA-N 340.379 2.870 50 40 EFGB COC(=O)c1ccc(/C=N/NC(=O)COc2ccc(C)c(C)c2)cc1 4694161 PZTXCXOBQPSLCJ-RGVLZGJSSA-N 340.379 2.619 50 40 EFGB COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C#N 5532620 RPNCPPCBEPPHEQ-UHFFFAOYSA-N 344.330 2.926 50 40 EFGB Cc1cccc(C(=O)NNC2=CC(=O)C[C@H](c3ccccc3)C2)c1O 408751376 IYKAXJCXOWRIAA-OAHLLOKOSA-N 336.391 2.966 50 40 EFGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)COc2ccccc2)cc1 408839990 DYIZFYOWDODJQA-DEDYPNTBSA-N 325.368 2.564 50 40 EFGB O=C(N/N=C\c1ccc(O)c(Br)c1)c1ccc(O)cc1 32138979 BFELAOUSWCVCRU-PXNMLYILSA-N 335.157 2.624 50 40 EFGB CCN(C[C@@H]1CCCN1C(=O)CCl)C(=O)OCc1ccccc1 79411899 MAKPTIDHCISKEQ-HNNXBMFYSA-N 338.835 2.875 50 40 EFGB CC(=O)c1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)s1 21895085 NLIMUYSOCYRHDR-UHFFFAOYSA-N 346.452 2.928 50 40 EFGB O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1ccccc1O 103147666 PIKVIZCJCSKKQT-SKLAPFLYSA-N 348.830 2.731 50 40 EFGB CCOC(=O)c1nc2c(o1)NC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1 125993 OHJKZKBYTWDOQV-LLVKDONJSA-N 344.758 2.756 50 40 EFGB COc1ccc([C@H](Br)[C@@H](Br)C(=O)O)cc1 6484443 MWJORQFVICKTJV-DTWKUNHWSA-N 337.995 2.979 50 40 EFGB in-vitro CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\NC(=O)CSc1nnc(N)s1)C2 28845489 KPQWGQUYYCITLX-VTWCLPLDSA-N 339.490 2.531 50 40 EFGB CC1(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)SCCS1 38534967 MIKINQMXUJKJGO-NTEUORMPSA-N 325.415 2.631 50 40 EFGB Cc1ccc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)c1 36024547 QHMKIXUOAUYQTO-OALUTQOASA-N 343.434 2.659 50 40 EFGB CSc1ccc(CN(C)C(=O)NNC(=O)c2ccccc2)cc1 40498165 GGHMVFDPCHFWMZ-UHFFFAOYSA-N 329.425 2.895 50 40 EFGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1cccc(F)c1 58556 KPJLAQDZLZVPRN-ZDUSSCGKSA-N 336.750 2.689 50 40 EFGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])c(O)cc2O)cc1 59335044 WYYAOUIPMCNVBV-SDQBBNPISA-N 339.307 2.860 50 40 EFGB O=C(CCC(=O)Nc1ccccc1Cl)N/N=C/c1cccnc1 2762518 AUSMRABAQRDXRE-YBFXNURJSA-N 330.775 2.604 50 40 EFGB Cc1ccc(OCC(=O)N/N=C/c2ccc3c(c2)OCO3)c(C)c1 4551109 KXTXOPKKOGREJC-DJKKODMXSA-N 326.352 2.561 50 40 EFGB O=C(N/N=C\c1ccc(Br)c([N+](=O)[O-])c1)c1cccnc1 33579739 LJGFYFMCWQPEOC-APSNUPSMSA-N 349.144 2.516 50 40 EFGB O=C(OCc1ccccc1)N1CC[C@@H](N(C(=O)CCl)C2CC2)C1 79392748 SEUHIFVEXVJJHD-OAHLLOKOSA-N 336.819 2.627 50 40 EFGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(O)ccc2O)cc1 27881 WKSJVEZVXQBAHK-RGVLZGJSSA-N 342.395 2.924 50 40 EFGB COc1cc(C)c(/C=C(\C#N)C(=O)NCc2ccco2)c(OC)c1 270330 TUGBFDKNTJTFOH-MDWZMJQESA-N 326.352 2.829 50 40 EFGB COc1ccnc(NNC(=O)c2oc3c(C)ccc(C)c3c2C)n1 56393950 NIMJJSUOLLEKOH-UHFFFAOYSA-N 326.356 2.914 50 40 EFGB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C#N 118918487 ZYVHLUFQSVBNFH-KOGWCRERSA-N 329.440 2.744 50 40 EFGB N#CCCCSC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)CC(=O)N1 9015000 BDJUISHDLMCKIZ-LBPRGKRZSA-N 341.392 2.791 50 40 EFGB O=C(CSCc1ccccc1)N/N=C/c1ccccc1C(=O)O 20246268 UYRQNRJXFGVNSL-VCHYOVAHSA-N 328.393 2.768 50 40 EFGB CCc1cccc(NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 7350458 DNVNRPVCTIHCSE-UHFFFAOYSA-N 344.396 2.789 50 40 EFGB COc1ccc(/C=C/C(=O)N/N=C/c2ccc(OC)cc2OC)cc1 409058318 NRICTTCKYDQGSD-MRVXSSNZSA-N 340.379 2.876 50 40 EFGB CCC(=O)NNC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1 408996789 JZBFUCMJHIBMKB-OUKQBFOZSA-N 337.379 2.510 50 40 EFGB CCc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 3024388 YPXWJVGGOUGIIF-RSZPVBOMSA-N 335.407 2.752 50 40 EFGB COc1cc(/C=N/NC(N)=O)ccc1OCc1ccccc1Cl 3469368 UCPBVTASBMCPRP-DJKKODMXSA-N 333.775 2.930 50 40 EFGB CCOc1cc(/C=N/NC(=O)[C@H](OC)c2ccccc2)ccc1O 13576136 NFRIFYSMBKHMKK-MIQLPHMESA-N 328.368 2.629 50 40 EFGB CC(C)Oc1ccc(C(=O)NNC(=O)c2cc(F)ccc2F)cc1 22629746 GASDXUVPDRCCDC-UHFFFAOYSA-N 334.322 2.827 50 40 EFGB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Oc1ccc([N+](=O)[O-])cc1 1640081 GUVOBXQVANZIKH-CYBMUJFWSA-N 336.344 2.900 50 40 EFGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N/N=C/c1ccccc1Cl)OC2=O 100260207 WLNBFMDKZABLNM-BAEMFCHESA-N 334.803 2.912 50 40 EFGB O=C(N/N=C/c1cc(Cl)c(O)c2ncccc12)c1ccncc1 59459128 ZMJQFBXPEPJZNN-AWQFTUOYSA-N 326.743 2.753 50 40 EFGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 36243707 MSCYMWDMIQKFRB-JDAJCMJVSA-N 345.380 2.931 50 40 EFGB O=C(CCC(=O)N/N=C/[C@H]1CC=CCC1)N/N=C/[C@H]1CC=CCC1 5631095 NWGWLEORVGCBRU-QSEWGLCQSA-N 330.432 2.683 50 40 EFGB O=C(NNC(=S)/N=C(\O)C(Cl)(Cl)Cl)c1cccs1 32118948 XQGBYGROKWNAMB-UHFFFAOYSA-N 346.648 2.594 50 40 EFGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccccc2O)cc1 5285200 DKUXGCWEUPOKFR-YBFXNURJSA-N 325.368 2.604 50 40 EFGB O=C(N/N=C/c1coc2ccc(Cl)cc2c1=O)c1ccccc1O 338660 KSMYZBWQZNZZQH-UFWORHAWSA-N 342.738 2.916 50 40 EFGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@@H](c1ccco1)C(C#N)=C(N)O2 2350992 NMYYQPSKGHZMMV-MRXNPFEDSA-N 349.346 2.609 50 40 EFGB CCOc1cccc(C(=O)n2c(C)c(C(=O)NN)c3ccccc32)c1 216956490 PKBLHJYCZHQHCJ-UHFFFAOYSA-N 337.379 2.640 50 40 EFGB C/C(CC(=O)N(C(C)C)C(C)C)=N\NC(=O)c1ccccc1[N+](=O)[O-] 4387229 ZOIUYOCIFLKIEQ-QGOAFFKASA-N 348.403 2.736 50 40 EFGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(C(=O)O)cc1 50092 RDWFBKDCHBKNTL-GIJQJNRQSA-N 332.743 2.567 50 40 EFGB CCOc1ccc(C(=O)NNC(=O)c2ccc(C)cc2)cc1OCC 516587 HXERUNDBOKTYHA-UHFFFAOYSA-N 342.395 2.867 50 40 EFGB O=[P@@]1(N(CCCl)CCCl)NCC[C@@H](C(F)(F)F)O1 1762215 KJCIGHRTQNBIGS-VIIUKITBSA-N 329.086 2.815 50 40 EFGB O=C(NNC(=O)c1ccncc1)NC(c1ccccc1)c1ccccc1 3238737 YCPQVFVPNYHZBF-UHFFFAOYSA-N 346.390 2.815 50 40 EFGB COc1cccc(/C=N/NC(=O)COc2cc(C)cc(C)c2)c1OC 3578066 KNTBGBRMQAXUIU-RGVLZGJSSA-N 342.395 2.850 50 40 EFGB N#C/C(=C\c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1)C(N)=S 9235572 NYZFINHXAFHHND-IZZDOVSWSA-N 342.332 2.536 50 40 EFGB Cc1occc1C(=O)NNC(=O)Cc1coc2cc3c(cc12)CCC3 15893876 UHDNDHCOIONIGY-UHFFFAOYSA-N 338.363 2.827 50 40 EFGB O=C(Cc1ccc(Br)cc1)N/N=C\c1ccc(O)cc1 37020466 XJFPAZCHEWWBBH-YVLHZVERSA-N 333.185 2.848 50 40 EFGB CC(C)C(=O)N/N=C1\C(=O)N(C2CSC2)c2ccc(C(C)C)cc21 223729392 BWQUFTDJEASVDF-MNDPQUGUSA-N 345.468 2.748 50 40 EFGB COC(=O)N/N=C1/C(=O)Nc2cc(SCc3ccccc3)ccc21 43911480 PQECRGVBGUHQRM-UHFFFAOYSA-N 341.392 2.991 50 40 EFGB CCn1c2ccccc2c2cc(/C=N/NC(=O)c3nonc3N)ccc21 93102 LRSWKHNWIARAIQ-KEBDBYFISA-N 348.366 2.544 50 40 EFGB CCOC(=O)c1c(C)[nH]c(C(=O)N/N=C\c2cccc(OC)c2)c1C 33328775 CKUKILNJBSKZBQ-GRSHGNNSSA-N 343.383 2.581 50 40 EFGB Cc1c(NC(=O)/C(C#N)=C\c2ccco2)c(=O)n(-c2ccccc2)n1C 4815381 CUFLAOAPSIRWRS-KAMYIIQDSA-N 348.362 2.623 50 40 EFGB C[C@H]1Oc2ccccc2N(CC(=O)NNc2cccc(Cl)c2)C1=O 30614784 WPDLXCRNQKRIPG-LLVKDONJSA-N 345.786 2.597 50 40 EFGB Cc1c(/C=N/NC(=O)c2ccncc2)c(Cl)nn1-c1ccccc1 510298 QBCGUHHBJLQIPM-RGVLZGJSSA-N 339.786 2.993 50 40 EFGB Cc1nsc(N(NC(=O)c2ccccc2)C(=O)c2ccccc2)n1 1715731 HQIKVQMGEONSGN-UHFFFAOYSA-N 338.392 2.838 50 40 EFGB O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 59386582 CSGWUFIKSKVUOM-GIJQJNRQSA-N 342.226 2.892 50 40 EFGB CCc1ccc(CC(=O)N/N=C\c2cccc(OC)c2OC)cc1 409363191 KEHDSTVUHVFYHY-MOSHPQCFSA-N 326.396 2.959 50 40 EFGB O=S1(=O)C=C(CNc2ccccc2Cl)[C@H](Br)C1 575419584 UONIMPJFDXXPJW-SECBINFHSA-N 336.638 2.828 50 40 EFGB O=C(N/N=C/c1ccc(Br)o1)c1cccc([N+](=O)[O-])c1 4280945 JPDVMWXQBVNVLB-VGOFMYFVSA-N 338.117 2.714 50 40 EFGB COc1cc(OC)cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1 183803 JKCGVIAQFZPTDB-MRXNPFEDSA-N 326.352 2.519 50 40 EFGB biogenic,in-vitro CCCCC(O)(CCCC)C(=O)N/N=C/c1cccc(OC)c1O 2273182 LSFQPDDUJYJMNJ-CPNJWEJPSA-N 336.432 2.962 50 40 EFGB CCCOc1ccc(C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 20197311 FOQZXJPUMMCTFW-XDHOZWIPSA-N 328.368 2.954 50 40 EFGB C#CCn1c(C)c(/C=N/NC(=O)[C@@H](O)c2ccccc2)c2ccccc21 409267053 RVRRCKDQMIESGI-ISXGRJCASA-N 345.402 2.767 50 40 EFGB COCCN1C(N)=C(C#N)[C@@H](c2ccco2)C2=C1CC(C)(C)CC2=O 409130444 HONRTPWKWNHWAK-INIZCTEOSA-N 341.411 2.662 50 40 EFGB CCOC(=O)c1cc(-c2ccc(/C=C/C(=O)NN)o2)ccc1Cl 216910127 BUGOXISXAWYQII-VMPITWQZSA-N 334.759 2.780 50 40 EFGB C=CCc1ccccc1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])s1 55429 MHDBDKQDZVMQMS-LICLKQGHSA-N 345.380 2.914 50 40 EFGB O=C(O)CC[C@]1(Br)CCCC[C@H](Br)C1=O 5566990 CRVUUUNYECMFEJ-OIBJUYFYSA-N 342.027 2.892 50 40 EFGB CCOc1ccc(/C(C)=N/NC(=O)[C@H]2COc3ccccc3O2)cc1 8108431 KHVQUAHUVODDTO-JZQBQCRLSA-N 340.379 2.766 50 40 EFGB COc1ccc(N(C(C)=O)c2nc(/C=C(/C#N)C(=O)O)cs2)cc1 44867235 CRRLVDNKEXAQLF-XFFZJAGNSA-N 343.364 2.828 50 40 EFGB CCOc1ccc(NC(=O)/C(C#N)=C2\C(=O)Nc3ccccc32)cc1 408745092 PIJLXSICTZMVES-ICFOKQHNSA-N 333.347 2.953 50 40 EFGB NNC(=O)CSc1nnc(SCc2ccccc2Cl)s1 36724728 AFWQXAQUECLJRH-UHFFFAOYSA-N 346.890 2.566 50 40 EFGB CC(C)(C)c1ccc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)cc1 16323038 MLAMCXTVNYZYKO-GXDHUFHOSA-N 335.411 2.691 50 40 EFGB CSc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1 3475613 LRMPTSJJALHPLZ-VHWUNXFSSA-N 328.393 2.699 50 40 EFGB CCc1cc(C)cc(OCC(=O)N/N=C\c2ccc(N(C)C)o2)c1 408998939 VJHCDEQAMXYIIA-ODLFYWEKSA-N 329.400 2.746 50 40 EFGB CC(C)NC(=O)/C(C#N)=C\c1ccc(I)cc1 408789646 NRWOILVJBKZCIK-XFFZJAGNSA-N 340.164 2.723 50 40 EFGB COc1ccc(C(=O)N/N=C(\C)c2ccc(OC)cc2OC)c(O)c1 409390199 BYHPMFXZKHBWOF-YBFXNURJSA-N 344.367 2.572 50 40 EFGB Cc1cc(C)nc(SCC(=O)N/N=C\c2c[nH]c3ccccc23)n1 4994495 XVLDHJYUTBLCEH-OCKHKDLRSA-N 339.424 2.817 50 40 EFGB O=C(CCCOc1ccccc1)NNC(=O)c1cccc(Cl)c1 3555042 BASHIGGUDQIAMK-UHFFFAOYSA-N 332.787 2.960 50 40 EFGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@@H](C(C)C)C(C#N)=C(N)O2 2202362 JQHXHISDWQFLOZ-HNNXBMFYSA-N 325.368 2.624 50 40 EFGB O=C(CCC(=O)Nc1cccc([N+](=O)[O-])c1)N/N=C/c1cccs1 2755347 FYRRJIFTXHCOBN-MHWRWJLKSA-N 346.368 2.525 50 40 EFGB O=C(NNC(=O)c1ccco1)c1cccc(OCc2ccccc2)c1 12917603 HFQDJKNLRUMYRI-UHFFFAOYSA-N 336.347 2.933 50 40 EFGB C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)c1cccc(Cl)c1 5051489 QYKKFTSEFUVIOG-FYJGNVAPSA-N 343.814 2.805 50 40 EFGB O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1cccc(F)c1 409134260 NYJJJRMHUOYTPX-CIAFOILYSA-N 345.349 2.565 50 40 EFGB COc1cccc(C(=O)N/N=C/c2ccc(OC(C)C)cc2O)c1 408591150 RPGQPKQGPNYVOC-YBFXNURJSA-N 328.368 2.952 50 40 EFGB Cc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2C)cc1 409094615 DVORJXADSNFMDZ-KGENOOAVSA-N 337.423 2.904 50 40 EFGB CC(C)(C)[Si](C)(C)OC[C@H]1C=C[C@H](n2cnc3c(N)ncnc32)O1 195496516 JROPDPSZZDSLDJ-VXGBXAGGSA-N 347.495 2.884 50 40 EFGB CCC[C@H](Br)C(=O)NCCC(=O)Nc1ccccc1F 15423115 ONLSQPFKLZGNOR-JTQLQIEISA-N 345.212 2.834 50 40 EFGB COc1cc(/C=N/NC(=O)COc2ccc(C)cc2C)ccc1O 224558 SCDZMODMNCXVOO-VXLYETTFSA-N 328.368 2.547 50 40 EFGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc(Br)c1 1004529 QFWVTTDALXUOKC-ZDUSSCGKSA-N 349.184 2.704 50 40 EFGB Cc1cc(C)c([N+](=O)[O-])c(C)c1[C@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21 2843453 OWLISYQDZDLOAV-CQSZACIVSA-N 339.355 2.770 50 40 EFGB CCN(CC)C(=O)CSC(NCc1ccccc1)=C(C#N)C#N 6783561 GBPJAZMVUSTZTL-UHFFFAOYSA-N 328.441 2.637 50 40 EFGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc3ccccc23)cc1 7783548 RNPJRUGWVLUDQZ-OEAKJJBVSA-N 345.402 2.915 50 40 EFGB COc1ccc([C@H]2[C@@H]3CSCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 20026742 VLGSDIRAROUSRY-SJORKVTESA-N 348.431 2.852 50 40 EFGB Cc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] 33623237 AAAYUICLRJRLSR-YVLHZVERSA-N 342.311 2.504 50 40 EFGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cccc(Cn2cccn2)c1 5731004 BMRPHPBGOKNQOH-XDHOZWIPSA-N 349.350 2.604 50 40 EFGB Cc1cccc2sc(NNC(=O)[C@@H]3COc4ccccc4O3)nc12 429757 NCQDKSXGONJCIX-ZDUSSCGKSA-N 341.392 2.888 50 40 EFGB CCc1ccc(OCC(=O)NNC(=O)c2ccc(C)c(C)c2)cc1 12920794 MPASXKSEVLJRPO-UHFFFAOYSA-N 326.396 2.706 50 40 EFGB O=C(CNc1cccc2ccccc12)N/N=C1\C(=O)Nc2ccccc21 5091990 UITFYKULTMTGFT-UHFFFAOYSA-N 344.374 2.724 50 40 EFGB COc1ccc(C(=O)N/N=C/c2ccc(Br)o2)c(O)c1 409391628 KHRQZXPMRJZHNT-VIZOYTHASA-N 339.145 2.520 50 40 EFGB CN(C(=O)OCc1ccccc1)[C@H]1CC[C@H](NC(=O)CCl)CC1 252517415 HWIRIBHNSRNJAX-SHTZXODSSA-N 338.835 2.921 50 40 EFGB COc1ccc(C(=O)NNC(=O)NCCC2=CCCCC2)cc1OC 32795427 PFJBJJPQTQMZOG-UHFFFAOYSA-N 347.415 2.538 50 40 EFGB COc1cccc(/C=N/NC(=O)c2cn(C)c3ccccc23)c1OC 1247286 VYTBFTCEWZJRMO-RGVLZGJSSA-N 337.379 2.959 50 40 EFGB CCN(C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)CCl 79392673 MRFUNGYRBNDONI-HNNXBMFYSA-N 338.835 2.732 50 40 EFGB CCOC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1Br 36931 LQXDLZCNSJEANW-BJMVGYQFSA-N 340.173 2.936 50 40 EFGB O=C(NNC(=O)C1CC1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 29434783 GMIZHOQNMRMXBK-SFHVURJKSA-N 348.406 2.551 50 40 EFGB COc1ccc2oc(=O)c(/C(C)=N/NC(=O)c3ccccc3)cc2c1 4729102 YPXGBSASXNWLCO-UDWIEESQSA-N 336.347 2.956 50 40 EFGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2[nH]cnc2c1 18096566 BFFKJWJHYFULLX-FBCYGCLPSA-N 343.730 2.888 50 40 EFGB O=C(NNC(=S)NCCCc1ccccc1)Nc1ccccc1 408586298 NGNYBCKDBDXHIN-UHFFFAOYSA-N 328.441 2.820 50 40 EFGB CN1CCC(=NNC(=O)CSCc2cccc(Cl)c2)CC1 408862546 GAWMFYDNAUXPKW-UHFFFAOYSA-N 325.865 2.771 50 40 EFGB CC1(C)CC(=O)C([C@@H]2c3ccccc3CCN2C(=O)CCl)C(=O)C1 100676104 DBYJIKQERGJHHC-SFHVURJKSA-N 347.842 2.926 50 40 EFGB CN1CCN(C(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)CC1 26967683 XDYJRCREKSZANQ-NTCAYCPXSA-N 339.370 2.767 50 40 EFGB CN(NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1ccccc1 58382131 QHGRVGQSKUZXAV-QGZVFWFLSA-N 349.434 2.696 50 40 EFGB Cc1cc(C=C(C#N)C#N)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59250295 GPGZFEAAOCHQEA-UHFFFAOYSA-N 335.319 2.921 50 40 EFGB CC(C)(C)OC(=O)NNC(=O)c1cc(C2CC2)nn1-c1ccccc1 12924323 FHFALAVALGSFTL-UHFFFAOYSA-N 342.399 2.919 50 40 EFGB COc1cc(OC)c2c(=O)oc(C[C@H](O)C(Cl)Cl)cc2c1 67903582 MOLWVPJZUNCMGV-JTQLQIEISA-N 333.167 2.517 50 40 EFGB biogenic,in-vitro COc1ccc(/C=N/NC(=O)CCCc2ccc(O)cc2)cc1OC 5880313 NVYVSHMAXNWHGC-DEDYPNTBSA-N 342.395 2.882 50 40 EFGB C/C(=N\NC(=O)Cc1c(O)n[nH]c1C)c1ccc(Cl)c(Cl)c1 4637608 OPSNYQADTDLWGN-REZTVBANSA-N 341.198 2.813 50 40 EFGB CCCn1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)n1 253401084 MKZKLGCIALJUMU-OAHLLOKOSA-N 326.400 2.744 50 40 EFGB CN(C)c1nc(N)nc(/C(C#N)=C\c2ccc(Cl)c(Cl)c2)n1 48332125 LFXJGSXXNGPJOL-UITAMQMPSA-N 335.198 2.891 50 40 EFGB Cc1nnc(SC[C@@H](Cl)CSc2ccccc2)[nH]c1=O 16779268 WRJNGZGGVQQYMH-JTQLQIEISA-N 327.862 2.965 50 40 EFGB Cc1[nH]c(C#N)c(C)c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 32755 ZCVNKGYAQHYLMU-MRXNPFEDSA-N 336.395 2.954 50 40 EFGB O=C(N/N=C\c1ccncc1)c1ccc(COCC(F)(F)F)cc1 33162972 DNWUAUGPXPIXHP-NKVSQWTQSA-N 337.301 2.924 50 40 EFGB COc1ccc(C[C@](C)(C#N)NNC(=O)OC(C)(C)C)cc1OC 606422211 BTRLCEBRYUNRRX-QGZVFWFLSA-N 335.404 2.558 50 40 EFGB CC1=CC(=O)[C@@H](Cl)[C@H](Cl)/C1=N\S(=O)(=O)c1ccccc1 4167630 GIZIGXWXHHNROK-AUHJOAGFSA-N 332.208 2.560 50 40 EFGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1 4344059 ZWLDMSYICCMPGV-CPNJWEJPSA-N 338.367 2.959 50 40 EFGB Cn1cccc1[C@@]1(C(F)(F)F)NN(c2ccccc2)C(N)=C1C#N 140902 NXEPAOZYXLKMBK-HNNXBMFYSA-N 333.317 2.501 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2cc(C)cc(C)c2)cc1OC 345454 SIDTZKWCUYJPIT-RGVLZGJSSA-N 342.395 2.850 50 40 EFGB CC(C)C[C@@H](NC(=O)c1ccccc1)C(=O)N/N=C/c1ccco1 3197248 CDCSQMAEKYJHEA-PUMYGXPMSA-N 327.384 2.574 50 40 EFGB CC(C)N1CCC(=NNC(=O)c2ccc(Br)o2)CC1 55072049 PBRGNNWWKOOVJF-UHFFFAOYSA-N 328.210 2.632 50 40 EFGB CC[C@H](Br)C(=O)NCCC(=O)Nc1ccc(C)cc1C 8733168 DXTRPVNQVRQQAM-LBPRGKRZSA-N 341.249 2.922 50 40 EFGB C=CCOc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCC)cc1 2268004 KUQSFUUHQNDVMF-QGZVFWFLSA-N 340.379 2.896 50 40 EFGB CC1=C(C#N)C(=O)NC(=O)/C1=C\c1ccc(-c2cccc(C(=O)O)c2)o1 13688773 GUYKZHAPEUSMTR-ZSOIEALJSA-N 348.314 2.525 50 40 EFGB C[C@@H](Oc1ccc(/C=N\NC(=O)Nc2ccc(F)cc2)cc1)C(=O)O 408852249 FJDGEVJEIGAOJL-XEQXHXIFSA-N 345.330 2.833 50 40 EFGB Cc1cc(C)nc(NNC(=O)c2c(C)nn(-c3ccccc3)c2C)n1 54910605 FGZUHKVWUBYPBF-UHFFFAOYSA-N 336.399 2.653 50 40 EFGB CCn1c(NNC(=O)C=C(C2CC2)C2CC2)nc2ccccc2c1=O 56441905 CVOWASKERLTIRR-UHFFFAOYSA-N 338.411 2.606 50 40 EFGB O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1ccncc1 5423349 YREKUPAEPJGUBW-UHFFFAOYSA-N 331.375 2.675 50 40 EFGB N#CC1=C(SCC(N)=O)N=C2CCCC(O)=C2[C@@H]1c1ccco1 102616111 HBGOKOHVQKOVIJ-AWEZNQCLSA-N 329.381 2.767 50 40 EFGB O=C(COc1ccc2c(c1)CCC2)NNC(=O)c1cccc(Cl)c1 2627120 RWXOZASFJYKMCY-UHFFFAOYSA-N 344.798 2.669 50 40 EFGB CC(C)[C@H](C(=O)NNc1cccc(Cl)c1)N1C[C@@H](C)O[C@H](C)C1 107344742 JJHFUADDODGSJT-XJKCOSOUSA-N 339.867 2.917 50 40 EFGB COc1ccc(OC)c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)c1 59447304 LYDGQMAJSCENFJ-VCHYOVAHSA-N 343.339 2.684 50 40 EFGB CC(C)(C)OC(=O)N/N=C1/C(=O)N(CCCC#N)c2ccccc21 5669243 QRRPIRRANXKXDQ-XMHGGMMESA-N 328.372 2.566 50 40 EFGB C[C@H](NC(=O)C(=O)N/N=C\c1c(F)cccc1Cl)c1ccccc1 408753291 NNEVTYNRGMWIFQ-ASKIBSTCSA-N 347.777 2.807 50 40 EFGB CCCNC(=O)/C(C#N)=C/c1nc(Cl)ccc1Br 585135962 KNYAAKCKHCDMHK-SOFGYWHQSA-N 328.597 2.931 50 40 EFGB N#C/C(=C\c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(N)=O 5891924 OWTFNKLKSCSQJX-MDWZMJQESA-N 326.739 2.951 50 40 EFGB Cc1cc(C)nc(NNC(=O)c2nn(-c3ccccc3)c3c2CCC3)n1 12916621 VZCTZEUNWUAORS-UHFFFAOYSA-N 348.410 2.525 50 40 EFGB O=C(NNC(=O)c1cc(C2CC2)nc2ccccc12)c1ccncc1 13021823 OVXHCZZOJWVMRK-UHFFFAOYSA-N 332.363 2.582 50 40 EFGB C[C@]1(C(=O)NNC(=O)Nc2ccc(Cl)cc2)C[C@H]1Br 4823460 GDYXQRVVOKUKDM-SKDRFNHKSA-N 346.612 2.666 50 40 EFGB COc1cccc(/C=N/NC(=O)COc2ccc(C)cc2C)c1O 3139781 VFBPBVBLZWBLTQ-VXLYETTFSA-N 328.368 2.547 50 40 EFGB C/C(=N/NC(=O)CSc1nc2ccccc2n1C)c1ccncc1 13114998 PDQJJDIHLHCJEC-NDENLUEZSA-N 339.424 2.601 50 40 EFGB CCOC(=O)C1=C(C)NC(C#N)=C(C(C#N)C#N)[C@H]1c1ccccc1 100251536 BNCFJTNIDXHIDV-SFHVURJKSA-N 332.363 2.652 50 40 EFGB Cc1ccc([C@@H]2C[C@@H]2C(=O)NNC(=S)NCc2ccccc2)cc1 374379 ONKXCYLTHNMQFV-IRXDYDNUSA-N 339.464 2.794 50 40 EFGB Cc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1Cl 1750037 VLSUCZXGVKUZCW-UHFFFAOYSA-N 347.827 2.598 50 40 EFGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)/C=C/c2ccccc2)c1C 7765131 PQMJHQWUZUVBOC-CJTWTEFWSA-N 338.407 2.932 50 40 EFGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2O)c1C 409159186 ZGWBBNBJSMJFLO-DJKKODMXSA-N 345.786 2.751 50 40 EFGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408882549 QUADHSWJWLKOOV-LFFBHBJKSA-N 346.343 2.779 50 40 EFGB CC(=NNC(=O)CNc1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 254396160 HICLKSXHKUTQMF-UHFFFAOYSA-N 326.356 2.856 50 40 EFGB CC(C)CNC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1 6306845 SYXDBEUKAGJZGW-CQSZACIVSA-N 343.452 2.531 50 40 EFGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(Cl)c([N+](=O)[O-])c1 58840212 SAXJWQLXLCUQFU-REZTVBANSA-N 347.714 2.741 50 40 EFGB C/C(=N\NC(=O)Nc1ccccc1C)c1ccc(S(C)(=O)=O)cc1 43991561 TXKXKCKDNQVJOA-CPNJWEJPSA-N 345.424 2.944 50 40 EFGB Cc1ccc(OCC(=O)N/N=C/c2ccc(C)s2)c([N+](=O)[O-])c1 6189942 KYUHWCAIAFSGNA-LZYBPNLTSA-N 333.369 2.802 50 40 EFGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1[N+](=O)[O-] 4525106 BQJBSUXOKQLCBE-XYOKQWHBSA-N 339.307 2.855 50 40 EFGB O=C(NNC(=O)c1cc(F)c(Cl)cc1Cl)c1cccc(O)c1 9313461 QCYDJABQDCUSJL-UHFFFAOYSA-N 343.141 2.913 50 40 EFGB N#CC1=C(N)n2ncnc2N[C@@H]1c1ccc(OCc2ccccc2)cc1 18199431 WJHASJYLRLOERM-QGZVFWFLSA-N 344.378 2.675 50 40 EFGB O=C(CNc1ccc(F)cc1)N/N=C/c1cc2c(cc1Cl)OCO2 487210 RDWKRIWHLPGSEB-IFRROFPPSA-N 349.749 2.770 50 40 EFGB N#C/C(=C/c1cc(Br)c(Br)s1)C(N)=O 2766583 FPUWPXKKKZLUCR-RJRFIUFISA-N 336.008 2.665 50 40 EFGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(O)cc1 323340 XNWKTAYSDXKKJC-HNNXBMFYSA-N 332.315 2.717 50 40 EFGB biogenic,in-vitro CN(CC(=O)NNc1cccc(Cl)c1)c1ccc(Cl)cn1 53324089 GUAYLLHQSGBLMS-UHFFFAOYSA-N 325.199 2.968 50 40 EFGB O=C(O)c1ccccc1C(=O)NNC(=O)c1cccc2ccccc12 6476711 PFRCIGJSRAIINH-UHFFFAOYSA-N 334.331 2.613 50 40 EFGB COc1ccccc1NCC(=O)N/N=C(\C)c1ccc(F)cc1F 7009884 PWYYPIATMGTQBC-SRZZPIQSSA-N 333.338 2.926 50 40 EFGB CNC(=O)/C(C#N)=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 408753461 MXISWLVFZMUGII-POHAHGRESA-N 330.727 2.951 50 40 EFGB C/C(=N\NC(=O)CNC(=O)c1ccco1)c1ccc(C(C)C)cc1 5231105 OWFPLYPXWYAUBQ-DEDYPNTBSA-N 327.384 2.673 50 40 EFGB CN1/C(=C(/C#N)c2nc(C#N)c(C#N)nc2Cl)Nc2ccccc21 12417164 UVCTWLSQMUCBEX-SXGWCWSVSA-N 333.742 2.627 50 40 EFGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@]23[C@@H]4C=C[C@@H](C4)[C@]12N=NN3c1ccccc1 104292984 OMGGDHZFRGBBHT-BAOKMWCASA-N 347.374 2.523 50 40 EFGB C[C@H](C(=O)NNC(=O)CSc1ccc(Cl)cc1)C(F)(F)F 72302662 DCWNSLCJJZZPGB-SSDOTTSWSA-N 340.754 2.778 50 40 EFGB COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(F)F 7945702 RXSSCCZDWJUEOB-DJKKODMXSA-N 336.294 2.766 50 40 EFGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 408834371 YFEMECYMLWRHRA-YBFXNURJSA-N 340.339 2.707 50 40 EFGB CCCOc1ccc(C(=O)OC)cc1NC(=O)CBr 72226453 YFDUXAASUXGVAH-UHFFFAOYSA-N 330.178 2.595 50 40 EFGB CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OC 263996 AKNHZGIHOUSFFP-VXLYETTFSA-N 342.351 2.587 50 40 EFGB COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1O 4984740 IHDWCKWEVDYNNZ-XYOKQWHBSA-N 339.307 2.855 50 40 EFGB CC1=CC(=O)[C@H](Cl)[C@H](Cl)/C1=N/S(=O)(=O)c1ccccc1 103667675 GIZIGXWXHHNROK-HPJJITKJSA-N 332.208 2.560 50 40 EFGB C/C(CC(=O)Nc1cccc(F)c1)=N\NC(=O)c1cccc(O)c1 100571767 JELWVLODYYKNIH-RGVLZGJSSA-N 329.331 2.666 50 40 EFGB CCCC[C@H](CCC(=O)NNC(=O)c1ccccc1Cl)C(=O)O 2284545 UHORPBCVHAONEZ-LLVKDONJSA-N 340.807 2.772 50 40 EFGB Cc1nn(C)c(C)c1[C@H]1[C@@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 2769531 PTYGVKYRDGUFHC-RHSMWYFYSA-N 332.411 2.631 50 40 EFGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccccc1Br 2766264 ISOJBXDVHOLMCT-CAOOACKPSA-N 347.168 2.942 50 40 EFGB CNC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 4722737 BQKIODVRZFKDTO-UXBLZVDNSA-N 330.727 2.951 50 40 EFGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC)NC(=O)[C@@H]1C#N 9329679 OOIMOHSRCPQOOT-DOMZBBRYSA-N 327.409 2.927 50 40 EFGB Cc1c(Br)cc(/C=N/NC(N)=O)cc1Br 33734144 CERUTBQBYDIPQT-YIXHJXPBSA-N 334.999 2.522 50 40 EFGB COc1ccccc1/C=N/NC(=O)c1cccc(Cn2cccn2)c1 131833 NRHPVHKBXMBZLU-DEDYPNTBSA-N 334.379 2.704 50 40 EFGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2cccs2)cc1 101424426 LANSMLFXGVQJNI-XDHOZWIPSA-N 345.424 2.569 50 40 EFGB O=C(CSc1ncccn1)N/N=C/c1cccc(C(F)(F)F)c1 408863567 NNWQOBBECPLUFW-DNTJNYDQSA-N 340.330 2.738 50 40 EFGB Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCC(N)=O)c2)c1C 409218144 HLZJTEZCJCHWAA-SXGWCWSVSA-N 349.390 2.713 50 40 EFGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1Br)c1cccnc1 408587798 HJERJDPBCPJJFH-LZYBPNLTSA-N 349.144 2.516 50 40 EFGB COc1ccc(CSCC(=O)N/N=C/c2ccc(N(C)C)o2)cc1 408992420 RUFCAXJXMYGVLH-VCHYOVAHSA-N 347.440 2.738 50 40 EFGB Cn1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C2CC2)n1 253396780 FBBZVCBKGXAGQW-HNNXBMFYSA-N 338.411 2.748 50 40 EFGB O=C(COc1ccc([N+](=O)[O-])cc1)NN=Cc1ccccc1Cl 15222183 ZECFHAOTRMQZAE-UHFFFAOYSA-N 333.731 2.777 50 40 EFGB CCOc1cc2c(cc1/C=N/NC(=O)c1cccnc1Cl)OCO2 6155546 YXWOFOIPXNBOJQ-UFWORHAWSA-N 347.758 2.626 50 40 EFGB C[C@@H]1CCC[C@@H](NC(=S)NNC(=O)c2cccnc2Cl)[C@@H]1C 15531666 SBNSQAFZYJDLMH-CKYFFXLPSA-N 340.880 2.669 50 40 EFGB O=C(NNC(=O)c1ccc(COc2ccccc2)o1)c1ccco1 8354766 FFAZQFSBTNMAKT-UHFFFAOYSA-N 326.308 2.526 50 40 EFGB CCCCSC1=C(C#N)[C@@H](c2ccccc2)[C@H](C(=O)OC)C(=O)N1 409137849 YJYCQWDKSGTFKZ-CABCVRRESA-N 344.436 2.958 50 40 EFGB CC(C)c1ccc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)cc1 28632367 JMBKDMVNXBNTLQ-ZMSCPJSOSA-N 349.434 2.790 50 40 EFGB COc1ccc(CC(=O)N/N=C/c2cc3c(cc2Cl)OCO3)cc1 408727621 FSNSTWMVYMQBSE-DJKKODMXSA-N 346.770 2.770 50 40 EFGB CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccccc3)CC2=O)cc1 33849699 BGPKTQHEOSJNOL-WBRURWICSA-N 335.407 2.752 50 40 EFGB C[C@@H]1CN([C@@H](CNC(=O)CCl)c2c(F)cccc2Cl)CCO1 1116437897 SOJXJGIFNBSBHV-MFKMUULPSA-N 349.233 2.596 50 40 EFGB CCCCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2O)cc1 3101265 BKXSRFSNFFKZAT-DEDYPNTBSA-N 339.395 2.824 50 40 EFGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc2ccccc2o1 3449092 CCIHVPCYBFNYFG-LLVKDONJSA-N 342.326 2.800 50 40 EFGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@@H](C)c1ccccc1 6208700 GWXJOLPALSEKQU-KGLIPLIRSA-N 344.386 2.934 50 40 EFGB C[C@@H]1CCc2sc(C(=O)NNC(=O)c3ccccc3O)cc2C1 7779621 FGEXTQOVBZYDGX-SNVBAGLBSA-N 330.409 2.653 50 40 EFGB O=C1O[C@@H]2[C@H](I)[C@@H]3C[C@@H]2[C@H]1[C@H]3c1ccccc1 104070024 HSYRRILDTLPLIV-QXMWZZNTSA-N 340.160 2.765 50 40 EFGB CCOc1ccc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc1 409363973 MSMLTTRGSJDMFL-MOSHPQCFSA-N 340.379 2.549 50 40 EFGB CCN(CC)c1ccc(/C=N/NC(=O)CC2(C)OCCCO2)cc1 408719031 GNDUSQIJKHLHOE-XMHGGMMESA-N 333.432 2.526 50 40 EFGB COc1ccc(OCC(=O)N/N=C/c2ccc(SC)cc2)cc1 565841 TZDUJPMNQWGGDX-WOJGMQOQSA-N 330.409 2.946 50 40 EFGB C[C@@H](Oc1ccccc1Br)C(=O)N/N=C/c1cccnc1 59462 RZXZMCKQEIJOMT-VDCVXVNISA-N 348.200 2.762 50 40 EFGB Cc1ccc(N2C[C@H](C(=O)N/N=C/c3sccc3C)CC2=O)cc1 526783 AGHJQXVGJCDFDT-LEBHLANCSA-N 341.436 2.868 50 40 EFGB O=S1(=O)c2ccccc2[C@@H](Br)[C@H]1Br 1672899 WIBNBPJBXWIBAP-SFYZADRCSA-N 326.009 2.631 50 40 EFGB C[C@@H](Nc1cccc(Br)c1)C(=O)N/N=C/c1cccnc1 2748169 QWNRUGMVTJHJHV-VDCVXVNISA-N 347.216 2.795 50 40 EFGB COc1ccc(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)cc1 408586027 AQFNPEHSOBLAKM-DEDYPNTBSA-N 340.379 2.549 50 40 EFGB CC(=O)C1=C(O)C(=O)N(CCBr)[C@@H]1c1cccc(F)c1 4629538 WTIHNLXXNITLCW-GFCCVEGCSA-N 342.164 2.505 50 40 EFGB O=C(NNC(=O)[C@@H]1CC=CCC1)c1ccc(COc2ccccc2)o1 15809858 NETZMGBYGICFJF-CQSZACIVSA-N 340.379 2.976 50 40 EFGB CCOc1ccc(CC(=O)N/N=C\c2ccc(OC)cc2OC)cc1 408712044 XATREXQELDHUET-MOSHPQCFSA-N 342.395 2.795 50 40 EFGB COc1cc(OC)cc([C@H]2C(C#N)=C(N)OC3=C2CCCC3=O)c1 125601 IFXKJIPTIYDWCM-MRXNPFEDSA-N 326.352 2.519 50 40 EFGB Cc1ccc(C)c(OCCC(=O)NNC(=O)c2cc(C)oc2C)c1 6436483 KKVOWQPUOHHHKE-UHFFFAOYSA-N 330.384 2.743 50 40 EFGB COc1cc(/C=N/NC(=O)c2ccc(-n3cccc3)cc2)ccc1O 2453788 ZNZCTHUQKZRSPD-DEDYPNTBSA-N 335.363 2.955 50 40 EFGB C[N+](C)(Cc1ccccc1)C[C@@H](Br)CSC(=N)N 4425004 BTSNWLWGGYJWQB-GFCCVEGCSA-N 331.303 2.653 50 40 EFGB O=C(Cc1ccc(F)cc1)NNC(=O)NCCc1ccc(Cl)cc1 9956393 ZECQVWYEGQHFSQ-UHFFFAOYSA-N 349.793 2.595 50 40 EFGB Cc1ccn(CC(=O)N/N=C\c2ccccc2OCc2ccccc2)n1 35999555 ZAZQUVDEDGRAGH-BKUYFWCQSA-N 348.406 2.921 50 40 EFGB O=Cc1ccc(P(c2ccc(C=O)cc2)c2ccc(C=O)cc2)cc1 118313696 HHWUZMJLDIFWBD-UHFFFAOYSA-N 346.322 2.882 50 40 EFGB N#CCC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 509923 OBZSQODOGMEVNW-QGMBQPNBSA-N 331.715 2.662 50 40 EFGB O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc([N+](=O)[O-])o1 588308 CPVBCJYKULRBFY-VCHYOVAHSA-N 339.307 2.870 50 40 EFGB N#CCn1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 6616428 YQQIYQRHWBPTNH-RGVLZGJSSA-N 347.334 2.837 50 40 EFGB CN(C)/N=N\c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 104185801 UXRFVGIGEUXJNY-JKBITOSFSA-N 340.343 2.919 50 40 EFGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2O)o1)c1ccco1 408722903 OCDMJMFZZNUZNM-RQZCQDPDSA-N 341.279 2.917 50 40 EFGB NNC(=O)CSc1nc(/C=C/c2ccccc2)nc2ccccc12 9576478 KHFWXGZSRWORMV-ZHACJKMWSA-N 336.420 2.882 50 40 EFGB O=C(Cc1nc(-c2ccccc2)cs1)NNC(=O)[C@H]1CC=CCC1 8988691 KSZBODAMHMXRQH-AWEZNQCLSA-N 341.436 2.856 50 40 EFGB COc1ccc(NC(=S)NNC(=O)Nc2ccccc2OC)cc1 408585352 FJPRCRAWWNPVRX-UHFFFAOYSA-N 346.412 2.727 50 40 EFGB CC(C)(C)OC(=O)NNS(=O)(=O)c1cc(Cl)ccc1Cl 7405453 ULEPYNHBGVRTOX-UHFFFAOYSA-N 341.216 2.711 50 40 EFGB O=C(CC(=O)NC1CCCCC1)N/N=C/c1c(F)cccc1Cl 59444802 NCEFSLPGWDTGDV-VXLYETTFSA-N 339.798 2.768 50 40 EFGB Cc1n[nH]c(C(=O)N/N=C/c2ccccc2Cl)c1/N=N\N(C)C 102868787 XCBMEIMBCIKJPR-NHWLLTSQSA-N 333.783 2.696 50 40 EFGB CO[C@@H](C(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 20248234 KJEJIVHWHGKITM-YAJBTMAUSA-N 327.340 2.823 50 40 EFGB COc1ccc(NC(=S)NNC(=O)c2ccc(C)cc2OC)cc1 408586763 QPTUINFYNFZAGK-UHFFFAOYSA-N 345.424 2.644 50 40 EFGB CCN(CC)c1ccc(/C=N/NC(=O)COc2ccccc2OC)o1 409002189 YVLNMXICDCRERV-XDHOZWIPSA-N 345.399 2.664 50 40 EFGB COc1ccc(/C=N/NC(=O)CCc2c[nH]c3ccccc23)cc1O 87879 YXXXJNFEHUCNPH-SRZZPIQSSA-N 337.379 2.965 50 40 EFGB biogenic Cc1ccc(C)c(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1 566325 VZMGAJXKPVBQQI-VCHYOVAHSA-N 327.340 2.741 50 40 EFGB N[C@@H](Cc1ccc(N(CCCl)Cc2ccccc2)cc1)C(=O)O 1559512 HODHQMGRKKMWQW-KRWDZBQOSA-N 332.831 2.886 50 40 EFGB Cc1ccc2cc(C#N)c(NCCNC(=O)C(Cl)Cl)nc2c1 4964542 GIBBFUGMABOSOO-UHFFFAOYSA-N 337.210 2.747 50 40 EFGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@@H](C)c1ccccc1 6208698 GWXJOLPALSEKQU-ZIAGYGMSSA-N 344.386 2.934 50 40 EFGB COC(=O)N/N=C/c1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1 4613996 FGHBZBZBMIETGE-LICLKQGHSA-N 343.295 2.504 50 40 EFGB O=C(CCl)c1ccc2c(c1)N(CC(=O)c1ccccc1)C(=O)CO2 68675310 JJCHJJASJKXNQW-UHFFFAOYSA-N 343.766 2.716 50 40 EFGB COc1ccc(OC)c(/C=N/NC(=O)COc2ccccc2Cl)c1 566541 AKGVPVQGPZDFMT-VXLYETTFSA-N 348.786 2.886 50 40 EFGB COC(=O)C[C@H](SSC(Cl)(Cl)Cl)C(=O)OC 2042725 CCLOCSXNQMMPTN-BYPYZUCNSA-N 327.638 2.800 50 40 EFGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2F)[C@H]2CSCC=C12 23410410 KNMJCTMQJHUUHV-HOCLYGCPSA-N 336.395 2.982 50 40 EFGB N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)Nc1ccccc1 4723615 CPNJXLVOSNJDNJ-WUXMJOGZSA-N 337.291 2.869 50 40 EFGB Cc1nc2sccn2c1C(=O)N/N=C/c1ccc(N(C)C)cc1 409018180 YDLMFBKFOKHRNO-LICLKQGHSA-N 327.413 2.534 50 40 EFGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(SC)cc2)c1 5721027 MDIIWGKCINCQII-WOJGMQOQSA-N 343.408 2.506 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)Cc2ccc(OC)c(OC)c2)cc1 5480015 UPJWVTXNRJDMEM-DEDYPNTBSA-N 342.395 2.795 50 40 EFGB N[C@@]1(C(=O)O)CCCc2ccc(N(CCCl)CCCl)cc21 1763110 YZYCOKZOWIFJQP-HNNXBMFYSA-N 331.243 2.546 50 40 EFGB Cc1cc(C)c(OCC(=O)NNC(=O)c2ccc(F)cc2)c(C)c1 6628310 MOIUOZOGYUILHS-UHFFFAOYSA-N 330.359 2.591 50 40 EFGB O=C(CN1CCOCC1)N/N=C/c1c2ccccc2cc2ccccc12 20248918 XHXZPKSGQDRMRY-HYARGMPZSA-N 347.418 2.775 50 40 EFGB COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(=O)[nH]c1ccccc21 18223109 RKLQLDQZYRKENI-MRXNPFEDSA-N 345.358 2.755 50 40 EFGB CCOc1ccc(/C=N\NC(=O)c2ccc(O)c(OC)c2)cc1OC 31729848 NDXJKZMDIVZLNG-ODLFYWEKSA-N 344.367 2.572 50 40 EFGB COc1ccc(OC)c(/C=N/NC(=O)CNc2ccc(Cl)cc2)c1 5661250 KHIQQOVNGYMDQY-KEBDBYFISA-N 347.802 2.919 50 40 EFGB CCO[Si](OCC)(OCC)c1ccc(O[C@@H]2CCCCO2)cc1 207752783 KWYRUTMHMLTVRS-QGZVFWFLSA-N 340.492 2.847 50 40 EFGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(Br)cc1 244069 QWESXHAMCJUVEU-VGOFMYFVSA-N 338.117 2.714 50 40 EFGB COc1ccccc1C(=O)NNC(=O)c1ccc2ccccc2c1O 260256 ICCXIDLIEWVPDL-UHFFFAOYSA-N 336.347 2.629 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2cc(C)ccc2C)c(OC)c1 565464 IUIAICNCRPCXAL-RGVLZGJSSA-N 342.395 2.850 50 40 EFGB CC1=CC(=O)[C@@H](Cl)[C@H](Cl)/C1=N/S(=O)(=O)c1ccccc1 103667680 GIZIGXWXHHNROK-KBUSKATCSA-N 332.208 2.560 50 40 EFGB CS(=O)(=O)c1cc(Cl)c(CBr)c([N+](=O)[O-])c1 154147 UBUZHYMVSMTCNE-UHFFFAOYSA-N 328.571 2.547 50 40 EFGB CC1(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])SCCS1 7003698 LDCKXEQMTUORMN-NTEUORMPSA-N 325.415 2.631 50 40 EFGB Cc1ccc(C(=O)Nc2ccccc2C(=O)NNC(=O)C(C)C)cc1 408998370 QDGQLMYKLZEDEG-UHFFFAOYSA-N 339.395 2.664 50 40 EFGB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Cl 40175549 IHFQLCZZXGSXPX-UHFFFAOYSA-N 331.821 2.639 50 40 EFGB CCOc1ncccc1C(=O)N/N=C/c1cc([N+](=O)[O-])c(C)s1 137980 BXLSTEZRRKWFIT-LZYBPNLTSA-N 334.357 2.522 50 40 EFGB C/C(=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 5618254 VNRMNGJDGZPOAB-GZTJUZNOSA-N 342.311 2.965 50 40 EFGB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)C(C#N)=C(N)O2 43686 RRUXMTZKNWIJSQ-KRWDZBQOSA-N 329.363 2.794 50 40 EFGB O=C(N/N=C/c1cc(Cl)c2cccnc2c1O)c1ccncc1 59459102 LNGACYMPAHREJL-AWQFTUOYSA-N 326.743 2.753 50 40 EFGB CCCOc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 2311634 YAADSUZYNRDPIW-YBFXNURJSA-N 326.352 2.968 50 40 EFGB Cc1ccc(OCC(=O)N/N=C/c2cc3c(cc2Cl)OCO3)cc1 5341645 NKYNRGLOKZQVKO-UFWORHAWSA-N 346.770 2.906 50 40 EFGB Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)c1ccco1 9883722 ATPNGJCWXHMKJN-NSHDSACASA-N 336.775 2.778 50 40 EFGB N#C/C(=C/c1ccc(-c2cccc(F)c2)o1)C(=O)N1CCOCC1 409012297 QFBRZJIUCMBEGT-KAMYIIQDSA-N 326.327 2.851 50 40 EFGB N#CCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 3227630 KWOXGVOPHNMJTM-YBFXNURJSA-N 335.392 2.965 50 40 EFGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(F)cc(F)c1 2626793 GLBKEEUKXPWWAA-UHFFFAOYSA-N 340.713 2.702 50 40 EFGB Cc1ccc(O[C@@H](C)C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1 12137077 KQVJTMUMQDHMRO-ZDUSSCGKSA-N 346.814 2.806 50 40 EFGB Cc1cc(O)cc(O)c1/C=N/NC(=O)COc1cccc(Cl)c1 3149974 VMNRRNLOSRGWSD-QGMBQPNBSA-N 334.759 2.589 50 40 EFGB CC(C)CC[C@H](C[C@H](C)O)C(=O)NNC(=S)Nc1ccccc1 13656033 URZRFPBVFCXZCC-UONOGXRCSA-N 337.489 2.828 50 40 EFGB O=C(NNC(=O)c1ccccc1Br)c1ccccc1F 4550924 ZZKIUCUYQBRNKL-UHFFFAOYSA-N 337.148 2.663 50 40 EFGB CCOc1ccc(/C(C)=N/NC(=O)c2ccccc2O)cc1[N+](=O)[O-] 409370719 CSEPICWWXGSTAS-WOJGMQOQSA-N 343.339 2.853 50 40 EFGB CC1=C/C(=N\NC(=O)CCCCC(=O)N/N=C2\C=C(C)CC2)CC1 7429234 VZDHFOZHIFQCKU-IKBKFCNISA-N 330.432 2.971 50 40 EFGB Cn1ncc([N+](=O)[O-])c1C(=O)NN=C1CCC(c2ccccc2)CC1 5669976 BYORMLNDPKAVQP-UHFFFAOYSA-N 341.371 2.772 50 40 EFGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2O)cc1OC 6441286 AOYHSWSXDTWOAQ-UNOMPAQXSA-N 326.352 2.730 50 40 EFGB C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)c1cccc(O)c1 14923257 HKMJCTZPPXKJIM-RGVLZGJSSA-N 329.331 2.666 50 40 EFGB O=C(COc1ccccc1)N/N=C/c1ccc(Br)cc1 253468 JMZIARLQEKJGBJ-LICLKQGHSA-N 333.185 2.978 50 40 EFGB CCOc1cc(/C=N/NC(=O)OC)ccc1OC(=O)c1ccccc1 507972 NOPRITVTVGJXCS-XDHOZWIPSA-N 342.351 2.994 50 40 EFGB Cn1cc(C(=O)NNC(=O)[C@@]2(C)CC2(Cl)Cl)c2ccccc21 24476496 AGMMOWCDHNIYIE-CQSZACIVSA-N 340.210 2.523 50 40 EFGB NNC(=O)c1ccc2[nH]c(-c3ccc(Br)cc3)nc2c1 226235534 PSKXDAPDJFOVED-UHFFFAOYSA-N 331.173 2.596 50 40 EFGB N#CC1=C(N)N(/N=C/c2ccccc2)[C@H](c2ccccc2)C1(C#N)C#N 500256 AUBYSFDBSAOOQJ-LLXCYVELSA-N 338.374 2.805 50 40 EFGB O=C(CC(=O)N/N=C/c1c(F)cccc1Cl)NCc1ccccc1 4905597 HOGACZXEZCQQRV-SRZZPIQSSA-N 347.777 2.636 50 40 EFGB C=CCOc1c(Br)cc(/C=N/NC(C)=O)cc1OCC 7946759 XEIUIQNMHKHJNW-CXUHLZMHSA-N 341.205 2.883 50 40 EFGB Cc1cc(C)nc(NNC(=O)c2cc(Br)ccc2F)n1 12909495 YANPPBLQBYYRFB-UHFFFAOYSA-N 339.168 2.752 50 40 EFGB CCCC(CCC)=NNC(=O)C(=O)Nc1ccc(OC)cc1OC 4699492 GGFAFMTXHRAZGR-UHFFFAOYSA-N 335.404 2.715 50 40 EFGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)c1ccc(C)cc1 408742740 XZXOUWDUFBEGKO-XNHPLOEXSA-N 334.379 2.750 50 40 EFGB O=c1oc2ccccc2n1C[C@@H](Br)CBr 73767 JYJATHUCXJXTKV-ZETCQYMHSA-N 334.995 2.753 50 40 EFGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1c(F)cccc1Cl 3008882 YZVVBZFQCAHBHX-DJKKODMXSA-N 333.750 2.876 50 40 EFGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(OCC)c1 4167788 DUZBFXLFVAQZLK-INIZCTEOSA-N 340.383 2.734 50 40 EFGB O=C(O)CC/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 5680211 HPDWQLQKGKSYPK-OBGWFSINSA-N 341.323 2.594 50 40 EFGB O=C(NNC(=O)c1ccccc1-n1cccc1)c1ccc(Cl)nc1 6786237 IKKQMLYWRKGODJ-UHFFFAOYSA-N 340.770 2.601 50 40 EFGB CC(C)CCN1C(=O)/C(=N\NC(=O)c2ccncc2)c2ccccc21 17877634 LETPZIFZQCEODQ-FXBPSFAMSA-N 336.395 2.608 50 40 EFGB CC(C)(C)OC(=O)N(CC1CCN(C(=O)CCl)CC1)C1CC1 83318746 KTAIXDXZOWMKJF-UHFFFAOYSA-N 330.856 2.863 50 40 EFGB CCOc1ccc(Cl)cc1/C=N/NC(=O)[C@H](O)c1ccccc1 487248 VWVUDNYOUNOIJP-YDDPGSGASA-N 332.787 2.922 50 40 EFGB N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(C(=O)O)c1 6473517 JKVQGSLXPIAZKY-JYRVWZFOSA-N 337.291 2.839 50 40 EFGB N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(=O)NCc1ccco1 2759124 ZYULTJABICXSBP-NYYWCZLTSA-N 330.727 2.885 50 40 EFGB C=CCc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OC)c1O 409247105 BUUIGKLEPNVNSU-MTJSOVHGSA-N 342.370 2.961 50 40 EFGB Cc1ccc(C)c(OCC(=O)n2cc(C(=O)NN)c3ccccc32)c1 218737132 RKLZGTGWAZNJQS-UHFFFAOYSA-N 337.379 2.581 50 40 EFGB CCn1ncc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1F 252501934 UMBNYFFEEMXMGJ-NUUHTWNYSA-N 334.782 2.949 50 40 EFGB O=C(N/N=C1\SCC(=O)N1CCc1ccccc1)c1cccs1 12712150 YDCIYCGQNVJPNH-VLGSPTGOSA-N 345.449 2.567 50 40 EFGB O=C(N/N=C(/CC(=O)C(F)(F)F)c1ccccc1)c1cccnc1 17138214 ZQCLCIRTSLQECH-BKUYFWCQSA-N 335.285 2.737 50 40 EFGB CCOc1cccc(-c2cc(C(=O)N/N=C/c3ccncc3)[nH]n2)c1 9089535 OJXKXEQCTQMJAW-UDWIEESQSA-N 335.367 2.634 50 40 EFGB COc1ccc(OCC(=O)NNc2nc3ccccc3s2)cc1 508018 SFKZPOSFNNVBOR-UHFFFAOYSA-N 329.381 2.827 50 40 EFGB C[C@]12CO[C@@]3(C(=O)NNc4ccc([N+](=O)[O-])cc4)C[C@@H]1CC[C@]32C 100924544 JXPWGQRXSSSLGE-GNCDUGFZSA-N 331.372 2.633 50 40 EFGB Cc1n[nH]c(C(=O)N/N=C\c2ccccc2Cl)c1/N=N/N(C)C 102868788 XCBMEIMBCIKJPR-AYINJXBPSA-N 333.783 2.696 50 40 EFGB CCN(CC)S(=O)(=O)O[C@@H]1C[C@H]2c3ccccc3[C@H]1[C@H]2Cl 103402726 NPXZNZLIYFGYSC-YJNKXOJESA-N 329.849 2.850 50 40 EFGB CC(C)n1ncc2cc(C(=O)NNc3ccccc3[N+](=O)[O-])cnc21 11770314 XHHCJNLDFFTAFL-UHFFFAOYSA-N 340.343 2.677 50 40 EFGB O=C(O)CC[C@@]1(Br)CCCC[C@H](Br)C1=O 5566953 CRVUUUNYECMFEJ-XVKPBYJWSA-N 342.027 2.892 50 40 EFGB COc1ccc([C@@H]2[C@H]3CCC=C3C(C#N)=C(N)C2(C#N)C#N)c(OC)c1 20247341 SBIMLFLLINPJFB-KSSFIOAISA-N 346.390 2.907 50 40 EFGB Cc1cc(C)nc(NNC(=O)c2ccc(F)cc2Br)n1 11334327 QJYOPIDXZDXWDX-UHFFFAOYSA-N 339.168 2.752 50 40 EFGB CN(C)c1oc(/C=N\NC(=O)c2cccs2)cc1Br 408849208 VTFZOSNMWVELHC-AUWJEWJLSA-N 342.218 2.934 50 40 EFGB COc1cc(C)c(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 408549132 PNNZVPBAPRBEJA-VCHYOVAHSA-N 343.339 2.684 50 40 EFGB CCS(=O)(=O)[C@H](Br)[C@@H](O)c1ccc(Cl)cc1 96519094 AKCSLCHEAFBGDQ-UWVGGRQHSA-N 327.627 2.529 50 40 EFGB N#C/C(=C\c1csc([N+](=O)[O-])c1)C(=O)NCCc1ccccc1 53102694 KHSJKTZYDNQWIK-RIYZIHGNSA-N 327.365 2.922 50 40 EFGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1O 13345081 YVKCEORXJQAEOH-XYOKQWHBSA-N 338.319 2.645 50 40 EFGB COc1ccc(C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)cc1 408724761 BLLCIOWMCFGRIH-QGMBQPNBSA-N 332.743 2.841 50 40 EFGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1cccc(C(=O)O)c1 408541692 HHJKFRKPANGSMY-MLPAPPSSSA-N 336.303 2.659 50 40 EFGB NNC(=O)c1cc(Br)c2[nH]c(-c3ccc(F)cc3)nc2c1 216922763 MTGZNGLEBLUHAO-UHFFFAOYSA-N 349.163 2.735 50 40 EFGB CCOc1ccccc1OCC(=O)N/N=C/c1cccc(C)c1O 341735 DBKSVGSMCIWBIE-YBFXNURJSA-N 328.368 2.628 50 40 EFGB CCN(CC)C(=C(C#N)C#N)[C@]1(C#N)[C@@H](c2ccccc2)C1(C#N)C#N 66087538 NRKBROKORXLXIC-PXNSSMCTSA-N 340.390 2.970 50 40 EFGB N#C/C(=C\c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccccc1 409232511 QKWXTTKCHARJBA-XMHGGMMESA-N 348.402 2.988 50 40 EFGB CC(=O)NNc1nc(C)c(C(=O)/C=C\c2ccc(N(C)C)cc2)s1 5732363 LZELGBDDRIRJMW-YFHOEESVSA-N 344.440 2.877 50 40 EFGB O=C(COc1ccc2ccccc2c1)N/N=C/c1cccc(O)c1O 22010820 ZMGSOPPKRSHNGI-RGVLZGJSSA-N 336.347 2.780 50 40 EFGB COc1ccc(C(=O)NNC(=O)c2cc3ccccc3cc2O)cc1 315841 YZUIHHHZXFRZTK-UHFFFAOYSA-N 336.347 2.629 50 40 EFGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NC(C)C)cc1OC 101412487 JTNRMPYZOJEATM-QPEQYQDCSA-N 332.787 2.792 50 40 EFGB O=C(N/N=C/c1ccc(OC2CSC2)cc1)c1ccccc1O 59437041 LZAAAOPDVUPGER-GIJQJNRQSA-N 328.393 2.650 50 40 EFGB C/C(=N\NC(=O)CNc1ccc(Cl)cc1)c1ccc(O)cc1O 409360339 DVRCBLUYZNTDSN-VXLYETTFSA-N 333.775 2.704 50 40 EFGB N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)Nc1ccc(F)cc1 7156198 DULUUYHYZUDVLJ-UKTHLTGXSA-N 340.310 2.835 50 40 EFGB O=C(NNc1ncnc2c1cnn2-c1ccc(F)cc1)c1ccccc1 17178295 LTRJZQZGDAIROX-UHFFFAOYSA-N 348.341 2.712 50 40 EFGB N#CC(C#N)=C(Nc1ccc(Cl)cc1)O[C@]12CCCN1CCCN2 255189044 NIWKJGHBWIKGBG-KRWDZBQOSA-N 343.818 2.770 50 40 EFGB CCOC(=O)Cn1cc(/C=C(\C#N)C(=O)NC(C)C)c2ccccc21 303625 UOAMLLVPZYWZFP-NTEUORMPSA-N 339.395 2.636 50 40 EFGB O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1C[C@@H]1c1ccccc1 5003647 LRTXVDOOYSSDOH-OLZOCXBDSA-N 342.311 2.750 50 40 EFGB COC(=O)/C(C#N)=C/c1cc(CSc2nnc(N)s2)cs1 8306825 MQJLPCMGULHXIX-FPYGCLRLSA-N 338.439 2.554 50 40 EFGB CNC(=O)/C(C#N)=C/c1cccc(Oc2nc(Cl)ncc2F)c1 409066882 XCMRJGZEIXQFLA-BJMVGYQFSA-N 332.722 2.714 50 40 EFGB C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)C(F)(F)F 4616461 OSAHSBGNROOZDD-CIAFOILYSA-N 336.313 2.977 50 40 EFGB Cc1ccc2c(CC(=O)NNC(=O)c3ccc(F)cc3)coc2c1 5558063 HLDIFKZDKPBOSH-UHFFFAOYSA-N 326.327 2.884 50 40 EFGB C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)c1ccccc1Cl 4825624 MHVGFYYFTSHYLQ-FYJGNVAPSA-N 343.814 2.805 50 40 EFGB Cc1c(C(=O)N/N=C/c2ccccc2Cl)sc2ncnc(N)c12 408973990 SXPFISWUCBLJCI-CGOBSMCZSA-N 345.815 2.999 50 40 EFGB N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)NC1CCCCC1 7157659 KDCYGKWOJSJHQN-GXDHUFHOSA-N 328.368 2.506 50 40 EFGB C/C(Cc1ccccc1)=N\NC(=O)CN1C[C@H](c2ccccc2)CC1=O 408976205 PRADOZKHFQRBGJ-NDWLXSOOSA-N 349.434 2.737 50 40 EFGB COc1cc(Br)ccc1N1C[C@H](C(=O)Cl)CC1=O 218736155 LNEVWWHQVNHKDN-SSDOTTSWSA-N 332.581 2.576 50 40 EFGB Cc1ncsc1C(=O)NNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 104641385 FVZIRLQOCRMVMH-NEPJUHHUSA-N 335.816 2.670 50 40 EFGB C[C@H]1CCc2sc(C(=O)NNC(=O)CCc3ccco3)cc2C1 24828249 JGQDSCPKEDZSMB-NSHDSACASA-N 332.425 2.860 50 40 EFGB CCOc1ccc(CC(=O)N/N=C/c2cc(OCC)ccc2O)cc1 10476063 NUQZDIVIOXWDOV-DEDYPNTBSA-N 342.395 2.882 50 40 EFGB CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4cccs4)[C@H]3[C@@H]1CC2 102669664 VCWFGDAOTFYHFQ-WPUCRFQZSA-N 347.447 2.634 50 40 EFGB Cc1c(C(=O)NNC(=O)c2n[nH]c3ccccc23)oc2ccccc12 15942406 FTVWROHUYQFPKS-UHFFFAOYSA-N 334.335 2.692 50 40 EFGB N#C/C(=C\c1ccco1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 117194 YFBKXYUWDZUKRB-CSKARUKUSA-N 341.392 2.864 50 40 EFGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O 486730 HILYECZCCSPBAT-CAOOACKPSA-N 349.730 2.726 50 40 EFGB CCOC(=O)[C@@H](/C(C)=N/NC(=O)c1ccccc1[N+](=O)[O-])C(C)C 4066514 HXBWURBQFKKGKD-SWEABUAFSA-N 335.360 2.536 50 40 EFGB C/C(=N\NC(=O)COc1ccc(F)cc1)c1nc2ccccc2[nH]1 7675419 XHXSQAZAGYPDKY-SRZZPIQSSA-N 326.331 2.621 50 40 EFGB O=C(N/N=C/c1cccc(Cl)c1)[C@H]1CC(=O)N(c2ccccc2)C1 409272492 ZFNYCBJZYOKTMA-HXJASHHUSA-N 341.798 2.843 50 40 EFGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1cccc(Cl)c1 409366710 XPIUNODSQDVIPR-YBFXNURJSA-N 330.771 2.804 50 40 EFGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccco1 44062155 UZCVEBJCULMMRY-LICLKQGHSA-N 347.168 2.818 50 40 EFGB O=C(CCl)N(c1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 40177495 WPZBJTSQELXTFO-CYBMUJFWSA-N 337.828 2.599 50 40 EFGB Cc1cccc(NCC(=O)N/N=C/c2cc3c(cc2Cl)OCO3)c1 223347 UZGBURDPKYZTPX-DNTJNYDQSA-N 345.786 2.939 50 40 EFGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCC#N 59334657 VVBGEZKJLRTENE-GHXNOFRVSA-N 333.775 2.636 50 40 EFGB CCOc1cc(C(=O)N/N=C\c2ccc(O)c(OC)c2)ccc1OC 409324134 RHQYNZJELHEYQA-ODLFYWEKSA-N 344.367 2.572 50 40 EFGB O=C(O)COc1ccccc1/C=N\NC(=O)c1ccccc1Cl 4501972 DTSBIUOLDCJDNI-NVMNQCDNSA-N 332.743 2.567 50 40 EFGB CC1(C)Oc2ccc(C(=O)N/N=C/c3cccs3)cc2NC1=O 1361202 PJAIPUDMIFRKBF-RQZCQDPDSA-N 329.381 2.622 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)Cc2ccccc2)cc1[N+](=O)[O-] 5288663 XYVIFTKRMLNSID-LDADJPATSA-N 327.340 2.686 50 40 EFGB COc1ccc(/C=N/OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1 5690729 OQZPUWZBGGPABE-SRZZPIQSSA-N 348.362 2.888 50 40 EFGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1cccc(F)c1 100202939 HEEZZSPCTVPKOO-OAHLLOKOSA-N 346.317 2.967 50 40 EFGB CCN1CC=C2[C@@H](C1)[C@H](c1ccc(F)cc1)C(C#N)=C(N)C2(C#N)C#N 34914865 IPDWVMRORUAOOV-SJLPKXTDSA-N 347.397 2.571 50 40 EFGB CCCC[C@H](CC(C)(C)O)C(=O)NNC(=S)Nc1ccccc1 1773906 NYAZGVXFQCNYTC-CYBMUJFWSA-N 337.489 2.972 50 40 EFGB COc1ccc(NC(=O)C(=O)N/N=C\c2c(F)cccc2Cl)cc1 4525708 YMPJBZNLYYOPLG-OCKHKDLRSA-N 349.749 2.577 50 40 EFGB CC(C)Oc1ccc(C#N)cc1NC(=O)NNC(=O)OC(C)(C)C 95996507 INPTYDYQENWEKQ-UHFFFAOYSA-N 334.376 2.907 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)CNc2ccc(F)cc2)c(OC)c1 33296405 VHJAFEFUZYGRHV-CIAFOILYSA-N 345.374 2.795 50 40 EFGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)c([N+](=O)[O-])c1 98087418 NBOCOZGPLGSVGA-XYOKQWHBSA-N 339.307 2.855 50 40 EFGB Cc1cccc(C(=O)NNC(=S)NC(=O)c2ccccc2Cl)c1 1750070 SULSNJKBOBCRSE-UHFFFAOYSA-N 347.827 2.598 50 40 EFGB CCCCCN1C(=O)/C(=N\NC(=O)c2cccnc2)c2ccccc21 100174088 DKIITGVSSDYEKP-FXBPSFAMSA-N 336.395 2.753 50 40 EFGB Cc1c(C(=O)N/N=C/c2ccc(OCC#N)cc2)cccc1[N+](=O)[O-] 408825541 AWANYAAEBGPBMG-YBFXNURJSA-N 338.323 2.570 50 40 EFGB C#CCn1cc(/C=N/NC(=O)CNC2CCCCC2)c2ccccc21 409382686 PFOZKCQTULZRKL-LPYMAVHISA-N 336.439 2.647 50 40 EFGB O=C(/C=C/c1ccco1)NCC(=O)N/N=C/c1ccc2ccccc2c1 3077149 UOIFJVKEFOZWKM-OCXZGDLRSA-N 347.374 2.713 50 40 EFGB C=CCOc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1 2176405 BFXIGRMCJMXULD-MHWRWJLKSA-N 331.353 2.985 50 40 EFGB COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C)ccc1O 566335 AGJSTZATZXWTMJ-VXLYETTFSA-N 328.368 2.547 50 40 EFGB NNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCCC2 272991 PXDKSXNGZLEAAA-UHFFFAOYSA-N 329.425 2.873 50 40 EFGB CCOC(=O)C1=C(C)OC(O)=C(C#N)[C@H]1c1ccc([N+](=O)[O-])cc1 408729773 CSYJPRRCEGRTMH-CQSZACIVSA-N 330.296 2.839 50 40 EFGB COc1cc(/C=N\NC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1O 30814061 OLQAOTRMPRESST-WSVATBPTSA-N 348.742 2.547 50 40 EFGB CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(N)=O)cc1 34688036 ZCNSNIVINDGRST-WJDWOHSUSA-N 349.390 2.659 50 40 EFGB N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(-c2cccc(C(=O)O)c2)o1 28483 FGLUWVHBJJPICX-NTUHNPAUSA-N 330.303 2.812 50 40 EFGB COc1cc(/C=N/NC(N)=O)cc(Cl)c1OCc1ccccc1 13747286 CFPWHQBEYBMZIW-DJKKODMXSA-N 333.775 2.930 50 40 EFGB Cc1cccc(OCC(=O)N/N=C\c2ccc3c(c2)OCO3)c1C 30774278 OOIZQTXHFIXEKW-OCKHKDLRSA-N 326.352 2.561 50 40 EFGB N#CCC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 59112 ATTHSDOHLIPAJL-YBFXNURJSA-N 338.323 2.538 50 40 EFGB N#CC1=C(N)[C@@](C#N)(c2ccc([N+](=O)[O-])cc2)[C@@H](C#N)[C@@H]2CCCC=C12 36042383 FZNFUVUESUJZPJ-AYBZRNKSSA-N 345.362 2.972 50 40 EFGB COc1ccc2c(CC(=O)NNC(=O)c3ccc(F)cc3)coc2c1 5558065 GNTXVEQABTUXMC-UHFFFAOYSA-N 342.326 2.584 50 40 EFGB O=C(N/N=C/c1ccc(O)cc1O)c1ccccc1Br 5771559 LWCQOAGNSVESHQ-LZYBPNLTSA-N 335.157 2.624 50 40 EFGB C/C(=N\NC(=O)COc1ccc(C)c(C)c1)c1cc(O)ccc1O 524459 LJNRIQMLUXJBRH-CPNJWEJPSA-N 328.368 2.634 50 40 EFGB CCOC(=O)C/C(C)=N/NC(=O)COc1ccc(Cl)cc1Cl 5257207 QKKWWUCCKNALDL-RQZCQDPDSA-N 347.198 2.818 50 40 EFGB COc1ccccc1OCC(=O)N/N=C\c1cc(C)c(O)c(C)c1 110091769 MCLCPXFQEOWJLM-GRSHGNNSSA-N 328.368 2.547 50 40 EFGB COc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1[N+](=O)[O-] 408879764 DBRRSGAKSLHSGS-LDADJPATSA-N 327.340 2.686 50 40 EFGB O=C(N/N=C/c1cccs1)C1CCN(C(=O)c2ccccc2)CC1 409004503 DGYYNLKXMKKBEB-CPNJWEJPSA-N 341.436 2.751 50 40 EFGB CN(C(=O)OCc1ccccc1)C1CCC(NC(=O)CCl)CC1 79411883 HWIRIBHNSRNJAX-UHFFFAOYSA-N 338.835 2.921 50 40 EFGB O=S1(=O)C[C@@H](Cl)[C@@H](NC(c2ccccc2)c2ccccc2)C1 575419567 SGCCJRUSCMPECT-CVEARBPZSA-N 335.856 2.770 50 40 EFGB O=S1(=O)C[C@@H](Cl)[C@H](NC(c2ccccc2)c2ccccc2)C1 575419569 SGCCJRUSCMPECT-HZPDHXFCSA-N 335.856 2.770 50 40 EFGB O=C(N/N=C\C=C/c1ccccc1)C(=O)N/N=C/C=C\c1ccccc1 8615628 HIRBYBFHMTYBOX-BNPRWQMMSA-N 346.390 2.617 50 40 EFGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2O)cc1C 409152863 BWVMTMNRIKZESI-DJKKODMXSA-N 345.786 2.751 50 40 EFGB COc1cccc(/C=C/C(=O)NNC(=S)Nc2ccccc2)c1 5689345 AEVVEUOZOYHCJB-ZHACJKMWSA-N 327.409 2.726 50 40 EFGB COc1cc(/C=N\NC(=O)Nc2ccccc2)cc(OC)c1OC 33319285 ZWBHRQBYNCIXNX-WQRHYEAKSA-N 329.356 2.868 50 40 EFGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccncc1 509552 JJHZZORFDQQNOQ-RGVLZGJSSA-N 339.786 2.993 50 40 EFGB CCOC(=O)c1c(NC(C)=O)sc2c1CC[C@@H](SC#N)C2=O 3901868 PKJWQXPBYWZSGK-SECBINFHSA-N 338.410 2.595 50 40 EFGB COc1ccc(Cl)cc1C(=O)NNC(=O)CCc1ccccc1 6245342 HHMUOBCYTHBVSN-UHFFFAOYSA-N 332.787 2.742 50 40 EFGB O=C(CSCc1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 20248537 WCLMHXBHUDPZDH-LICLKQGHSA-N 329.381 2.978 50 40 EFGB COc1cccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)c1O 408972667 QLJMUDRWLTUKRU-VXLYETTFSA-N 340.335 2.920 50 40 EFGB Cc1cc(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)[nH]n1 18254652 RLUUAMXMRVFLJY-RQZCQDPDSA-N 339.311 2.650 50 40 EFGB COc1cccc(OC)c1/C=C(\C#N)C(=O)NCCc1ccccc1 179026462 OMMYDMVXHJFAEO-DTQAZKPQSA-N 336.391 2.970 50 40 EFGB O=C(N/N=C\c1ccc(N2CCOCC2)o1)c1cc2ccccc2o1 408845191 LMUJJTPNWWNHEB-UNOMPAQXSA-N 339.351 2.626 50 40 EFGB COc1ccc(C(=O)N/N=C/c2c(C)n(C)c3ccccc23)c(O)c1 409390521 DTIPNTYQWCYLIN-RGVLZGJSSA-N 337.379 2.965 50 40 EFGB CC/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1O 17066957 FSNLFCPPTDGQJL-OBGWFSINSA-N 327.340 2.773 50 40 EFGB COc1ccc(/C=N/NC(=O)c2cn(C)c3ccccc23)cc1OC 550393 FZGKAFYQJYDRDX-RGVLZGJSSA-N 337.379 2.959 50 40 EFGB O=C(COc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 502673 FGGZGBYXPZERCL-RQZCQDPDSA-N 333.731 2.777 50 40 EFGB CN1/C(=C(\C#N)c2nc(C#N)c(C#N)nc2Cl)Nc2ccccc21 100265779 UVCTWLSQMUCBEX-CXUHLZMHSA-N 333.742 2.627 50 40 EFGB Cc1nn(C)c(C)c1[C@H]1[C@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 2769533 PTYGVKYRDGUFHC-WMLDXEAASA-N 332.411 2.631 50 40 EFGB CNC(=O)/C(C#N)=C/c1cccn1-c1ccc(Br)cc1 2727062 HXXFPPAIIJCULX-PKNBQFBNSA-N 330.185 2.893 50 40 EFGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(C)c3)[C@@H]2C1 4473385 RJSLZGNOQZNJLA-MOPGFXCFSA-N 343.434 2.740 50 40 EFGB COc1ccc(OC)c(/C=N/NC(=O)c2ccc(C)cc2OC)c1 4502197 SRNIMHIJAGWKKO-YBFXNURJSA-N 328.368 2.785 50 40 EFGB Cc1ccc(/C=N/NC(=O)c2nn(-c3ccccc3)cc2O)c(C)c1 8529765 SGQVMAHKHIHDMV-RGVLZGJSSA-N 334.379 2.959 50 40 EFGB COC(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2C)cc1OC 408842113 LWOHHINDNNFLKA-YBFXNURJSA-N 342.351 2.913 50 40 EFGB CCOc1ccc(CC(=O)N/N=C\c2ccccc2OCC#N)cc1 408711900 PUDQQBRCPCEOIN-STZFKDTASA-N 337.379 2.680 50 40 EFGB Cn1ncc(Cl)c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253396765 FANNTPDWAPFQFA-GFCCVEGCSA-N 332.791 2.524 50 40 EFGB CC(C)(C)CO[C@@](Cn1cnc(=O)cn1)(SC#N)c1ccccc1 3175311 XNEXGGQRPCQNCJ-KRWDZBQOSA-N 344.440 2.768 50 40 EFGB CC(C)CCn1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)n1 253408369 XPWMPVSWKWGVHB-MRXNPFEDSA-N 326.400 2.744 50 40 EFGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)c1 566347 SWDATKMKEMUXOD-LZYBPNLTSA-N 333.369 2.802 50 40 EFGB CCOc1ccc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc1OC 5953720 NIIVJESTDRBEOP-DEDYPNTBSA-N 342.395 2.795 50 40 EFGB CC1(C)[C@@H]2C[C@H]3C[C@H](C(=O)O)[C@H](C(=O)O)C[C@@]3(C2)[C@@H]1Br 103888737 CETNOZJJQQHALZ-IBFUULCPSA-N 345.233 2.998 50 40 EFGB Cc1nc(N)sc1C(=O)N/N=C/c1c(O)ccc2ccccc12 1979224 HKCXMYPSEIWLJO-QGMBQPNBSA-N 326.381 2.656 50 40 EFGB N#C/C(=C\c1ccccc1OCC(=O)O)c1nc(O)c2ccccc2n1 12745208 WWCOVDVBJSTYMP-UKTHLTGXSA-N 347.330 2.863 50 40 EFGB CCOc1ccc2[nH]c(C(=O)N/N=C/c3ccc(O)cc3O)cc2c1 2337606 LSIPUZZTSUJVDH-VXLYETTFSA-N 339.351 2.742 50 40 EFGB NC(=O)N/N=C1/CC[C@@](C(=O)Nc2ccccc2)(c2ccccc2)C1 4752237 VPJMLDJFQZKGJQ-ODENVGOISA-N 336.395 2.771 50 40 EFGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1O 408963694 AHKUWCXVPKYZNV-KEBDBYFISA-N 327.315 2.566 50 40 EFGB O=C(N/N=C\c1ccccc1O)C(O)(c1ccccc1)c1ccccc1 73129091 GOCSMIDSQQKMKO-JCMHNJIXSA-N 346.386 2.778 50 40 EFGB COc1ccc(OC)c(/C=N/NC(=O)[C@@H](C)Sc2ccccn2)c1 188500 MXJZETJBTKOPLI-ZGXHQARYSA-N 345.424 2.730 50 40 EFGB COC(=O)/C(C#N)=C/c1cccc(OC(=O)c2ccccc2OC)c1 11990407 POYPDOWSAFTEMD-GXDHUFHOSA-N 337.331 2.994 50 40 EFGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)c(O)c(C)c2)n1 6281073 APRJUUSTZBJQBD-QGMBQPNBSA-N 344.440 2.658 50 40 EFGB Cc1cc(C(=O)NNC(=O)[C@H]2C[C@@H]2C)c(C)n1-c1ccc(F)cc1 12558095 KSOTUKLRAHGKCS-BONVTDFDSA-N 329.375 2.650 50 40 EFGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1C 409118940 QPZVFEFGXKULKQ-GOSISDBHSA-N 336.347 2.951 50 40 EFGB O=C(CCn1c(=O)oc2cc(Cl)ccc21)NNc1ccc(F)cc1 61430685 QHVWAZVQSKWJDF-UHFFFAOYSA-N 349.749 2.920 50 40 EFGB CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccs3)[C@H]2C1 4730654 DHUMSAGOMXLYKP-DOTOQJQBSA-N 349.463 2.882 50 40 EFGB CCCNC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(OC)c(OC)c1 5728021 BRDUZRZXWCJGKL-JYRVWZFOSA-N 340.383 2.527 50 40 EFGB CCOc1ccccc1/C=N\NC(=O)c1cc(OC)cc(OC)c1 33903400 WRALVPRVQHGBCI-UNOMPAQXSA-N 328.368 2.866 50 40 EFGB CCOCCCNC(=O)/C(C#N)=C\c1ccc(Cl)c([N+](=O)[O-])c1 6233702 ZJFBPJSXAFSLRX-WQLSENKSSA-N 337.763 2.698 50 40 EFGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(CC)cc2)CC(=O)N1 9087454 YAJYTOQYGFVRJB-AWEZNQCLSA-N 344.436 2.884 50 40 EFGB C[C@H](Nc1cccc(Br)c1)C(=O)N/N=C/c1ccncc1 2750447 ORFNPPVKEDFAJH-HPAYWCODSA-N 347.216 2.795 50 40 EFGB CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4cccs4)[C@@H]3[C@@H]1CC2 100682840 VCWFGDAOTFYHFQ-GQGQLFGLSA-N 347.447 2.634 50 40 EFGB Cc1ccc(C(=O)N/N=C/c2ccc(OCC#N)cc2)cc1[N+](=O)[O-] 408827422 JPCXLHOQDZRYPG-YBFXNURJSA-N 338.323 2.570 50 40 EFGB CC1(C)[C@@H](O)[C@@]2(Br)CC[C@@]1(CC#N)[C@@H]2Br 216529326 SNSPGLYSSKESNT-SCVMZPAESA-N 337.055 2.978 50 40 EFGB O=S(=O)(CCCCCl)Nc1cccc(O)c1Br 585119162 UQRMSRXBDKPCLU-UHFFFAOYSA-N 342.642 2.915 50 40 EFGB CCOc1ccc(/C=N/NC(=O)c2ccccc2OC)cc1OC 5475815 GHIQHFNKILLSJO-XDHOZWIPSA-N 328.368 2.866 50 40 EFGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccncc3)o2)cc1 509778 NVXLRGBPYPQFNF-CIAFOILYSA-N 349.346 2.892 50 40 EFGB CCN(CC)c1ccc(C(=O)N/N=C/c2ccccc2C(=O)O)cc1 3213206 SPEDLNLIFKIULC-DEDYPNTBSA-N 339.395 2.995 50 40 EFGB CCC[C@H](Oc1ccc(OC)cc1)C(=O)NNCc1ccccc1O 2711790 NHDLAVGPVFKCBX-SFHVURJKSA-N 344.411 2.769 50 40 EFGB Cc1ccc(Cl)c(OCC(=O)NNC(=O)c2ccc(F)cc2)c1 5558046 LHLVBSZRDNVTRX-UHFFFAOYSA-N 336.750 2.628 50 40 EFGB C[C@@H]1CCC[C@H](NC(=S)NNC(=O)c2cccnc2Cl)[C@@H]1C 15531668 SBNSQAFZYJDLMH-FOGDFJRCSA-N 340.880 2.669 50 40 EFGB COC(=O)CSC1=C(C#N)[C@H](c2ccccc2C)[C@@H](C#N)C(O)=N1 189240 XYPSWAAPWIMKHZ-IUODEOHRSA-N 341.392 2.830 50 40 EFGB CCOc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)c(OCC)c1 495492 UZFUKAFBHUUPDB-UHFFFAOYSA-N 342.424 2.702 50 40 EFGB Cc1cc(C)n(CC(=O)N/N=C2/CCSc3ccc(F)cc32)n1 33045822 JJCHSLCYHMQOPR-JXAWBTAJSA-N 332.404 2.655 50 40 EFGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc([N+](=O)[O-])o1 567390 AQMXGQDVLYYAHH-QGMBQPNBSA-N 341.245 2.899 50 40 EFGB Cc1cc(C(=O)NNC(=O)CCC(=O)c2cc(C)sc2C)c(C)o1 3554491 QZWPVUDCMNLVMA-UHFFFAOYSA-N 348.424 2.999 50 40 EFGB Cc1occc1C(=O)NNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1 8725345 RHRXGFZGUVBCDK-UHFFFAOYSA-N 344.758 2.706 50 40 EFGB CCOc1ccc(/C=C(\C#N)C(=O)NCCCOC)cc1OCC 216942426 UCWHADFGAFHNHK-RVDMUPIBSA-N 332.400 2.544 50 40 EFGB CCOC(=O)C1=C(C)NC(C)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 34053172 ROMRVBIQTWDKIJ-INIZCTEOSA-N 327.340 2.916 50 40 EFGB biogenic Cc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(C)c1 62156 GLJPIMVHSOFHSJ-VCHYOVAHSA-N 327.340 2.741 50 40 EFGB COc1cccc(/C=N/NC(=O)c2ccc(Br)o2)c1O 368572 AWJBIZHYHXZDPV-VIZOYTHASA-N 339.145 2.520 50 40 EFGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2F)cc1Cl 58884777 YEGIDWMDCFPLKM-DJKKODMXSA-N 349.749 2.577 50 40 EFGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC)NC(=O)[C@@H]1C#N 9329678 OOIMOHSRCPQOOT-IUODEOHRSA-N 327.409 2.927 50 40 EFGB Cc1cc(OCC(=O)N/N=C/c2c(C)cc(O)cc2O)ccc1Cl 3036633 LSOSBZXLODJEQI-UFWORHAWSA-N 348.786 2.897 50 40 EFGB CC(C)/N=C1/S[C@H]2CS(=O)(=O)[C@H](Br)[C@]2(C)S1 5230156 LGLVMTROHNJGDS-YKKJTFKDSA-N 344.321 2.508 50 40 EFGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)C(C)(C)C)c(OC)c1 1786074 RCGWYRLVPSOIJV-GXDHUFHOSA-N 342.395 2.856 50 40 EFGB O=C(CNc1ccccc1)N/N=C/c1cc2c(cc1Cl)OCO2 59419171 LNCGKILEGUZIEI-UFWORHAWSA-N 331.759 2.631 50 40 EFGB Cc1c(C(=O)NNC(=O)c2cnccn2)oc2c1ccc1ccccc12 12841278 DEWWKHFCLJRPLM-UHFFFAOYSA-N 346.346 2.759 50 40 EFGB O=C(NNC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccc[nH]1 61231706 WIFWAUSKSVLUGG-UHFFFAOYSA-N 346.346 2.898 50 40 EFGB Cc1cccc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c1O 6382712 MDOQOSIJLHIWMU-UHFFFAOYSA-N 349.346 2.699 50 40 EFGB Cc1ccc(C(=O)NNCC(=O)Nc2ccc(Cl)cc2F)cc1 6561341 IMZTWFGYDCVSHW-UHFFFAOYSA-N 335.766 2.661 50 40 EFGB CSCc1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)cc1 6652018 ZAKZUQJFBLOUMD-UHFFFAOYSA-N 348.399 2.529 50 40 EFGB N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)Nc1ccccc1F 7156504 QSZRHUAKQGGMDK-UKTHLTGXSA-N 340.310 2.835 50 40 EFGB CCn1ncc(/C=N/NC(=O)c2cc(Br)cs2)c1F 252492311 MIKQLVXCKNVCAC-LNKIKWGQSA-N 345.197 2.630 50 40 EFGB O=C(N/N=C/c1ccc2cccc(O)c2n1)c1ccc([N+](=O)[O-])cc1 195421 URCFZEYUOCEMPY-VCHYOVAHSA-N 336.307 2.613 50 40 EFGB Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1 3032004 WXRAWFDPIKVKAT-VCHYOVAHSA-N 327.340 2.741 50 40 EFGB COc1cc2c(cc1OC(C)=O)C(=O)[C@@H](Br)CCC2 5712263 ZDUZWQUVDVEEOT-NSHDSACASA-N 327.174 2.903 50 40 EFGB CCOc1cc(C(=O)N/N=C\c2ccccc2OC)ccc1OC 6355015 WTKQYIXXZSDAQC-UNOMPAQXSA-N 328.368 2.866 50 40 EFGB C=CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)N(C)C)cc1OC 59334877 ZXNKCGJAPUNAPH-WJDWOHSUSA-N 326.396 2.984 50 40 EFGB Cc1cc(C(=O)NNC(=O)c2ccccc2)c(C)n1Cc1ccco1 12821616 NFQZWJKHRCVCRI-UHFFFAOYSA-N 337.379 2.821 50 40 EFGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)c1ccccc1F 408739710 DUCBNEHXQWSQNC-PZUDMAOCSA-N 338.342 2.580 50 40 EFGB Cc1cc(N2CCOCC2)ccc1/C=N\NC(=O)c1cccs1 409094445 DEOZNINUIWTKST-PDGQHHTCSA-N 329.425 2.657 50 40 EFGB COc1ccccc1C(=O)N/N=C/c1ccc(O)c(Br)c1 6182595 KUDDYFWGUHKWJZ-RQZCQDPDSA-N 349.184 2.927 50 40 EFGB COC(=O)/C(CC(=O)c1ccc(C)cc1)=N\NC(=O)c1ccccc1 5543405 GXMGSQIYYGHDGR-SILNSSARSA-N 338.363 2.527 50 40 EFGB O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cc[n+]([O-])cc1 3169940 TZJSTVUZWGMVQM-XSFVSMFZSA-N 333.347 2.876 50 40 EFGB NNC(=O)c1cc(-c2ccccn2)nc2ccc(Br)cc12 6342869 IMKOJCGWEUBRGJ-UHFFFAOYSA-N 343.184 2.663 50 40 EFGB CCOC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(OC)c(OC)c1 4631370 SEHFFYSPSSIILE-GHXNOFRVSA-N 327.340 2.564 50 40 EFGB Cc1ccc2c(c1)cc(C(=O)NNC(=O)c1cccc(F)c1)n2C 9668431 ARAZPBFHNVFANO-UHFFFAOYSA-N 325.343 2.701 50 40 EFGB CC[C@@H](Br)C(=O)NCCC(=O)Nc1cc(C)ccc1C 8733138 MWDIDRLHETUTII-GFCCVEGCSA-N 341.249 2.922 50 40 EFGB COc1cccc(C(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)c1 408871823 XNQJXRSZNUNDST-XDHOZWIPSA-N 326.352 2.620 50 40 EFGB O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl 6784634 MZZZMAXDMXSGOR-UHFFFAOYSA-N 334.719 2.715 50 40 EFGB CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cccs2)c1O 35406331 GOAMVQUGWACEDD-OVCLIPMQSA-N 335.341 2.525 50 40 EFGB O=S(=O)(OCCBr)c1ccccc1C(F)(F)F 199753198 VFSNDULTLGMOLX-UHFFFAOYSA-N 333.125 2.806 50 40 EFGB CCC[C@@H](Br)C(=O)NCCC(=O)Nc1ccccc1F 15423114 ONLSQPFKLZGNOR-SNVBAGLBSA-N 345.212 2.834 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2cc(C)ccc2C)cc1O 566339 DWDBQYQRFBECFZ-VXLYETTFSA-N 328.368 2.547 50 40 EFGB CC1(C)[C@@H]2CC[C@]1(C)/C(=N\NC(=O)CSc1nnc(N)s1)C2 102359420 KPQWGQUYYCITLX-JUTVMJAXSA-N 339.490 2.531 50 40 EFGB Cc1cccc(NNC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)c1 65565810 OIIFMLCBSCUALV-UHFFFAOYSA-N 325.347 2.780 50 40 EFGB NNC(=O)c1ccc2nc(-c3ccc(Br)cc3)oc2c1 70461575 YMGNPKLKWZDAQU-UHFFFAOYSA-N 332.157 2.861 50 40 EFGB O=C(NNc1nc2c(F)cccc2s1)[C@@H]1COc2ccccc2O1 4121350 VWBYELTYXIWSAZ-LBPRGKRZSA-N 345.355 2.719 50 40 EFGB COCCNC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 6579875 JTJHINPMUXUWPH-JLHYYAGUSA-N 341.323 2.524 50 40 EFGB Cc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)o1 102090845 YUEVGTPTFOLUBQ-AWEZNQCLSA-N 332.315 2.729 50 40 EFGB CC1=C(C)[C@@H](NNC(=O)c2ccccc2)N(CCc2ccccc2)C1=O 4675037 QXAWOZYQSAAFGV-IBGZPJMESA-N 349.434 2.668 50 40 EFGB COc1cccc(/C=N/NC(=O)COc2ccccc2C)c1OC 5509597 VCJGLUQCAKFZMX-YBFXNURJSA-N 328.368 2.541 50 40 EFGB C[C@H](Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1)C(=O)O 39557407 ZPHUCGGLZJEHDY-VSMYLPJWSA-N 346.770 2.956 50 40 EFGB Cn1cc(Cl)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)n1 253403099 PINXIMMBFIXXRA-GFCCVEGCSA-N 332.791 2.524 50 40 EFGB O=C(CCC(=O)Nc1ccc(F)cc1)N/N=C/c1ccccc1F 1949174 HEDYQGPLUCPADM-RGVLZGJSSA-N 331.322 2.834 50 40 EFGB N#CCC(=O)N/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12 547788 XAYYGOPXIJQLIE-FSJBWODESA-N 341.374 2.925 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2C)cc1O 3139779 YUXLKPHZDHNVND-VXLYETTFSA-N 328.368 2.547 50 40 EFGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2F)[C@@H]2CSCC=C12 23410414 KNMJCTMQJHUUHV-ZBFHGGJFSA-N 336.395 2.982 50 40 EFGB N#CC(C#N)=C(C#N)Nc1ccc(C(=O)NCc2ccccc2)cc1 101644724 RVBNCCVTMIFBPA-UHFFFAOYSA-N 327.347 2.853 50 40 EFGB CC(=O)Nc1ccc(/C=N/NC(=O)COc2cc(C)ccc2C)cc1 3578226 IAHTYGMWQJYHRT-RGVLZGJSSA-N 339.395 2.791 50 40 EFGB O=c1c2ccccc2n2c(CCl)nnc2n1Cc1cccs1 408712777 PYULQGBOERTCGO-UHFFFAOYSA-N 330.800 2.893 50 40 EFGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 45334171 HKZYLCCDKADBSZ-RQZCQDPDSA-N 333.731 2.647 50 40 EFGB COc1cccc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)c1OC 3167200 HCUPJKJWDVILOP-DAQNXSASSA-N 328.368 2.542 50 40 EFGB COc1ccccc1-n1c(=O)c2ccccc2n2c(CCl)nnc12 15424620 RKJGUYWJDBOISE-UHFFFAOYSA-N 340.770 2.781 50 40 EFGB COc1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc(F)cc2)cc1 3101381 GMXYGLZAZDRKRK-UDWIEESQSA-N 343.358 2.703 50 40 EFGB COc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1OCc1cccnc1 32831793 NMSNFEVEKYEWBH-CXUHLZMHSA-N 349.390 2.855 50 40 EFGB O=C(NNc1ccccc1C(F)(F)F)c1n[nH]c(=O)c2ccccc12 68773491 BERLREJQKHYVNF-UHFFFAOYSA-N 348.284 2.699 50 40 EFGB O=C(N/N=C/c1ccc(Br)cc1)c1n[nH]c2c1CCCC2 8837466 SLFDXBVSQBPXOA-RQZCQDPDSA-N 347.216 2.815 50 40 EFGB N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)Nc1ccccc1F 408810713 PYAFHOODDHGDHT-ACCUITESSA-N 341.342 2.801 50 40 EFGB O=C(N/N=C\c1ccc(Br)s1)c1ccccc1O 33286483 PSNHHMRKIZXOLY-AUWJEWJLSA-N 325.187 2.980 50 40 EFGB CCn1c(C)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c1C 33784764 RDSJPCNAVBGRNC-WQRHYEAKSA-N 328.372 2.726 50 40 EFGB CC(C)(C)OC(=O)N1CCC[C@@H](CN(C(=O)CCl)C2CC2)C1 79392593 SZQCWUZRRGDFRM-GFCCVEGCSA-N 330.856 2.863 50 40 EFGB CCCC/C(C)=N\NC(=O)C(=O)Nc1cc(Cl)ccc1OC 59516311 ZAMHCEFPDZGVFZ-ZDLGFXPLSA-N 325.796 2.969 50 40 EFGB Cc1cc2c(c(=O)n1C)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 2215655 FNKXITXYZWGTBK-CQSZACIVSA-N 327.771 2.565 50 40 EFGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1O 408544983 WPIIGPZHCGXIHH-QPEQYQDCSA-N 338.319 2.645 50 40 EFGB C/C(=N\NC(=O)CNC(=O)c1ccc(Cl)cc1)c1cccs1 4671996 YAJWXXVFJUGJGI-VCHYOVAHSA-N 335.816 2.672 50 40 EFGB C=CCOc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1OCC 408720239 WQMOBKNUQRDZPL-XSFVSMFZSA-N 345.443 2.586 50 40 EFGB CCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccc(F)cc2)c1O 36236317 ZDCAJARGHKEMKA-NVMNQCDNSA-N 347.302 2.602 50 40 EFGB CCS(=O)(=O)[C@H](Br)[C@H](O)c1cccc(Cl)c1 96519076 SRQSZUHDYUWLOX-ZJUUUORDSA-N 327.627 2.529 50 40 EFGB Cc1ccccc1CSCC(=O)N/N=C1\C(=O)Nc2ccccc21 204880 FSPWGXFOAMYLJA-UHFFFAOYSA-N 339.420 2.701 50 40 EFGB O=C(NNC(=O)c1ccccc1NC(=O)c1ccco1)c1ccccc1 17170774 BYRCTZHJRDHFTB-UHFFFAOYSA-N 349.346 2.607 50 40 EFGB CC(=O)N(C)c1ccc(NC(C#N)=C2C(=O)c3ccccc3C2=O)cc1 150419 BUJQVIFXYDQTIR-UHFFFAOYSA-N 345.358 2.938 50 40 EFGB O=C(N/N=C/c1ccc(OC(=O)c2ccco2)cc1)c1cccnc1 219861 ITLVRMAJOYWRDY-RGVLZGJSSA-N 335.319 2.658 50 40 EFGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cccc(O)c1 548558 SWSWIEWJVIKDJF-RQZCQDPDSA-N 327.365 2.776 50 40 EFGB N#CC1=C(S)NC(=O)[C@@H]([n+]2ccccc2)[C@H]1c1ccc(Cl)cc1 5277806 YKOZVEHBOXOHDC-GJZGRUSLSA-O 342.831 2.747 50 40 EFGB O=C(NNC(=O)c1cccnc1)c1ccc(Oc2ccccc2)cc1 8986616 JQVKRCYPZCDEFK-UHFFFAOYSA-N 333.347 2.949 50 40 EFGB O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccccn3)o2)c1 408723157 QXQDMLJGCWESNO-RGVLZGJSSA-N 335.319 2.804 50 40 EFGB CCOC(=O)Cn1c(C)c(/C=C(\C#N)C(=O)OCC)c2ccccc21 408813256 OYLZNLIADKHOND-GXDHUFHOSA-N 340.379 2.983 50 40 EFGB CCOc1ccc(CCCC(=O)N/N=C/c2cccc(O)c2O)cc1 5873011 QRMDIEXSRVCHFK-DEDYPNTBSA-N 342.395 2.970 50 40 EFGB CCOc1ccc(/C=N/NC(=O)COc2ccc(C)c(C)c2)c(O)c1 13858064 WWBHXBYGXWKPDP-RGVLZGJSSA-N 342.395 2.937 50 40 EFGB C/C(=N/OCC(=O)N/N=C/c1ccc(C)cc1O)c1cccs1 16291067 UNJAFLKVOUSZHJ-LRUAJHTRSA-N 331.397 2.653 50 40 EFGB CC(C)OC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1 9014912 SZBLMHMEZGAWAI-CYBMUJFWSA-N 330.409 2.710 50 40 EFGB O=C(NNC(=O)c1ccccc1Nc1ccccc1)c1cccnc1 12537157 QTSILJWQFSHMBA-UHFFFAOYSA-N 332.363 2.900 50 40 EFGB CO[C@@H](C(=O)NNC(=O)c1ccc(C)c(Cl)c1)c1ccccc1 4613915 ATZILACKYMWITO-OAHLLOKOSA-N 332.787 2.797 50 40 EFGB O=C(Cc1ccc(Br)cc1)NNC(=O)c1cccs1 6510367 GYWOXINVAYMFDW-UHFFFAOYSA-N 339.214 2.514 50 40 EFGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(=O)O)cc1 408884338 YMSHRQMTENPOPF-NTUHNPAUSA-N 336.303 2.659 50 40 EFGB CCOc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1ccc(C)cc1 478792 KXSZGQQBKQIXBT-RGVLZGJSSA-N 341.367 2.615 50 40 EFGB Cc1ccn(CC(=O)NN=Cc2ccccc2OCc2ccccc2)n1 17072370 ZAZQUVDEDGRAGH-UHFFFAOYSA-N 348.406 2.921 50 40 EFGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(O)cc1 323343 XNWKTAYSDXKKJC-OAHLLOKOSA-N 332.315 2.717 50 40 EFGB biogenic,in-vitro CCN(CC)c1ccc(C(=O)N/N=C(\C)c2csc(N)n2)cc1 32859856 LPFBQGIZHXFJKM-YBFXNURJSA-N 331.445 2.726 50 40 EFGB O=C(COc1ccccc1)N/N=C\c1cccc(Br)c1 108586611 HFDCYGJVPOTARJ-YVLHZVERSA-N 333.185 2.978 50 40 EFGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccco1 4750808 AVWPMTMCAHWNGM-CIAFOILYSA-N 345.358 2.898 50 40 EFGB CCOc1ccc(-c2cc(C(=O)NN)nn2-c2ccccc2C)cc1 59472532 SQXYHETZTOXOQE-UHFFFAOYSA-N 336.395 2.850 50 40 EFGB N[C@@H](CCCCP(=O)(c1ccccc1)c1ccccc1)C(=O)O 1805314 NNRUJCNQPCJHIO-KRWDZBQOSA-N 331.352 2.583 50 40 EFGB biogenic Cc1c(C(=O)N/N=C\c2ccc3c(c2)COC3)sc(=S)n1C 28628641 CQYAQJKZGRKWGZ-SOFYXZRVSA-N 333.438 2.919 50 40 EFGB CC[C@@]1(C)Cc2ccccc2C(NC(=O)N2CCOCC2)=C1C#N 27534136 FTTGWZZTGUJBLY-IBGZPJMESA-N 325.412 2.935 50 40 EFGB N#CCCn1nc(-c2ccccc2)cc1C(=O)N/N=C/c1ccncc1 3306910 DAQIQDVORJZBEU-HYARGMPZSA-N 344.378 2.623 50 40 EFGB Cc1c(C(=O)NNC(=O)COc2cccc(F)c2)oc2ccccc12 5512900 WQHKJCLDEOERKI-UHFFFAOYSA-N 342.326 2.720 50 40 EFGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccc(O)cc1 3574530 IQPIRJBVXMFXEK-UDWIEESQSA-N 334.379 2.959 50 40 EFGB COc1cc(/C=C/C(=O)NN)ccc1OCc1ccc(Cl)cc1 226336224 RBCQZZHASLCGEE-WEVVVXLNSA-N 332.787 2.931 50 40 EFGB COC(=O)c1ccccc1N/C=C(\C#N)C(=O)NCCc1ccccc1 11692036 YBXMPOICVNFNIT-JQIJEIRASA-N 349.390 2.651 50 40 EFGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(Br)o1 482756 VNVQOGLUPNXAFF-VGOFMYFVSA-N 338.117 2.714 50 40 EFGB Cc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(Cl)cc1 2135546 LFFMQSQMAXFBTF-UHFFFAOYSA-N 347.827 2.598 50 40 EFGB CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2/C(Cc1ccccc1)=N\NC(N)=O 100367444 PNTISAYRPWEGBH-JGBBEKDDSA-N 327.428 2.895 50 40 EFGB COc1c(Cc2ccccc2)cc(Br)cc1C(=O)NN 57352758 RLXQTKSXLKKVLM-UHFFFAOYSA-N 335.201 2.652 50 40 EFGB C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc2cccnc12 2437443 SHZSSADKVQINHU-DQAKUKQTSA-N 342.399 2.598 50 40 EFGB Cc1cc(C)nc(NNC(=O)C(=O)c2ccc(C(C)(C)C)cc2)n1 64290282 WPKISVAFHBCGFI-UHFFFAOYSA-N 326.400 2.717 50 40 EFGB CN1C(=O)/C(=N/NC(=O)CCSc2ccccc2)c2ccccc21 409344225 IFNOFSCLSICITB-LVZFUZTISA-N 339.420 2.666 50 40 EFGB CC1(CC(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)SCCS1 32116901 ACLCOIBQHDTVEW-ZROIWOOFSA-N 325.415 2.631 50 40 EFGB O=C(CCl)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 408921156 FLFGFACEMXHHIR-UHFFFAOYSA-N 342.779 2.804 50 40 EFGB O=C(CN1CCCc2ccccc21)N/N=C1/CCOc2ccccc21 38544855 VHNPWSSKKPDOAJ-FXBPSFAMSA-N 335.407 2.742 50 40 EFGB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NN=C1CCCC1 5003106 VBLBSBSRSMVRQB-OAHLLOKOSA-N 333.457 2.584 50 40 EFGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\c1ccncc1)CO2 31853507 HAIKPVBPMHLLAJ-BYINCCNUSA-N 339.395 2.669 50 40 EFGB O=C(COc1ccc2ccccc2c1)NNC(=O)Cc1ccccc1 320305 CNHXBCYDTVXNPU-UHFFFAOYSA-N 334.375 2.609 50 40 EFGB C[C@@]1(C(=O)NNC(=O)Nc2ccc(Cl)cc2)C[C@H]1Br 4823479 GDYXQRVVOKUKDM-BXKDBHETSA-N 346.612 2.666 50 40 EFGB C=CCN1C(=N)CS/C1=C(\C#N)S(=O)(=O)c1ccc(C)cc1 8560252 GHFSVKKOKAAVHU-XXSPVYAKSA-N 333.438 2.673 50 40 EFGB C#CCOc1cccc(/C=N/NC(=O)CC2(C)SCCS2)c1 409256765 PUXQZZVXZHDTBP-SFQUDFHCSA-N 334.466 2.735 50 40 EFGB Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccc(C)n2)c(C)c1 6189649 ACBRWKAXHDGFGO-UDWIEESQSA-N 338.411 2.876 50 40 EFGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(O)cc1O 50588 AWFVVBWDNHBPMD-SRZZPIQSSA-N 335.363 2.813 50 40 EFGB COCCn1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c2ccccc21 33594518 PLCVRXLRXXMWHP-KRWDZBQOSA-N 349.394 2.537 50 40 EFGB COCCNC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2)c1 3372473 PAJWROTYNLWZDA-LDADJPATSA-N 336.391 2.935 50 40 EFGB O=C(CCc1nc2ccccc2s1)NNC(=O)c1cccs1 6558058 RFNYDISCFSYBQK-UHFFFAOYSA-N 331.422 2.752 50 40 EFGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2n1C 7674737 RAZHZDSSZKVBFR-YBFXNURJSA-N 337.339 2.636 50 40 EFGB Cc1cc(/C=C(\C#N)C(=O)N2CCOCC2)c(C)n1C1CCCC1 379186 FJIRNOGCPGFYFW-SFQUDFHCSA-N 327.428 2.986 50 40 EFGB NNC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccn1 12961566 MMKGYLNHNDMJPD-UHFFFAOYSA-N 338.314 2.981 50 40 EFGB C/C(=N\NC(=O)c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 13113779 OMALIOVWYOMVRR-WOJGMQOQSA-N 341.323 2.520 50 40 EFGB C/C(CCc1ccc(O)cc1)=N\NC(=O)c1ccc2c(c1)OCCO2 98054108 ZJRXUVHZDKMHLF-DEDYPNTBSA-N 340.379 2.902 50 40 EFGB COc1ccc([C@@H]2[C@H]3CSCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 20026744 VLGSDIRAROUSRY-DLBZAZTESA-N 348.431 2.852 50 40 EFGB CCCOc1ccc(C(=O)N/N=C\c2cccc(O)c2)cc1OC 409318496 WAWOKMUMNNRHTO-UNOMPAQXSA-N 328.368 2.954 50 40 EFGB O=C(CSc1nc2ccccc2[nH]1)N/N=C\c1ccc(O)cc1 28627912 GUOSWZLRAXDOGY-MFOYZWKCSA-N 326.381 2.511 50 40 EFGB COc1cc(OC)c2cc(C(=O)N/N=C/c3ccccc3O)[nH]c2c1 2196656 GPMKKBNSGVJPFJ-VXLYETTFSA-N 339.351 2.655 50 40 EFGB CC(C)(C)c1ccc(C=NNC(=O)Cn2nnc3ccccc32)cc1 12381654 NYNUSOJZBNDDPL-UHFFFAOYSA-N 335.411 2.879 50 40 EFGB O=C(CCc1ccc(F)c(F)c1)NNc1c(F)c(F)nc(F)c1F 32817793 IYYGTYYANYMYGE-UHFFFAOYSA-N 349.234 2.992 50 40 EFGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(O)cc1O 42486 MTIXHSAAPXNPAV-HNNXBMFYSA-N 326.352 2.549 50 40 EFGB Cc1cc(OCC(=O)NNC(=O)c2ccc(O)cc2)cc(C)c1Cl 319060 XVFOVTRUMUBTAV-UHFFFAOYSA-N 348.786 2.502 50 40 EFGB COC(=O)N1[C@@]2(C)C[C@@H](Br)[C@H](Br)C[C@]12C 104277556 YTEVIEXXRRVNPO-XFFJFQIUSA-N 341.043 2.907 50 40 EFGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC#N 408792447 JYSGPUXXWFTTCM-GXDHUFHOSA-N 349.346 2.849 50 40 EFGB O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccccc1O 110348229 JFUIISYOLMAGIT-SRZZPIQSSA-N 345.358 2.656 50 40 EFGB COc1ccc(CC(=O)N/N=C/c2cc(Cl)c(O)c(OC)c2)cc1 573194 FYTLGMZUUSTYBF-VXLYETTFSA-N 348.786 2.756 50 40 EFGB Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3cccnc3)cc2)n1 130617 RFXVKHUDLMBXIG-CIAFOILYSA-N 333.395 2.707 50 40 EFGB O=C(N/N=C/c1cccc(Br)c1)[C@@H](O)c1ccccc1 487390 PSHNTMVJTLMNKQ-FBJMNJBLSA-N 333.185 2.633 50 40 EFGB COc1ccc(/C=N\NC(=O)CC2(C)SCCS2)c(OC)c1 12402517 HDXMIPQDEWWIFY-YBEGLDIGSA-N 340.470 2.740 50 40 EFGB CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1O 1106464 VVKSTAFPTAASJD-BJMVGYQFSA-N 339.189 2.549 50 40 EFGB CCOc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC 36223995 FSYZZNPEBJZZFW-NDENLUEZSA-N 330.359 2.926 50 40 EFGB CCn1nc(C)c(Cl)c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 253396137 DFBWJHRLSFIDQJ-GFCCVEGCSA-N 332.791 2.680 50 40 EFGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)OCO2 8102994 GZTRRVREKZTQFU-REZTVBANSA-N 347.714 2.741 50 40 EFGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1O 1759658 WDGYIVVPKODDKX-UHFFFAOYSA-N 325.151 2.774 50 40 EFGB Cc1cc(C(=O)NNC(=O)COc2ccc(Cl)cc2C)c(C)o1 3411267 NXMZNJJOLITKFX-UHFFFAOYSA-N 336.775 2.698 50 40 EFGB Cc1cccc(OCC(=O)NNC(=O)CSc2ccccc2C)c1 5272880 OLIYEWGBBADAJI-UHFFFAOYSA-N 344.436 2.622 50 40 EFGB CC1(C)[C@H]2CC=C(/C=N/NC(=O)[C@@H]3COc4ccccc4O3)[C@@H]1C2 20930334 QBCILAIITWHPQZ-WQZVDBPGSA-N 326.396 2.921 50 40 EFGB CCOC(=O)C1=C2c3ncccc3ON2[C@H](Cl)[C@@H](Cl)[C@H]1Cl 245240659 REIFVINDTGDQJR-AUTRQRHGSA-N 349.601 2.759 50 40 EFGB COc1ccc(/C=N\NC(=O)COc2cc(C)cc(C)c2)c(OC)c1 12362575 PRYBOUAXLAZNDE-JAIQZWGSSA-N 342.395 2.850 50 40 EFGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1c(F)cccc1F)OCO3 85408864 TVCSDEOGDMMGOM-HNNXBMFYSA-N 328.274 2.912 50 40 EFGB COc1ccc(/C=N\NC(=O)CC(=O)Nc2cccc(Cl)c2)cc1 32923279 JKMLCHGOYHDBQC-ODLFYWEKSA-N 345.786 2.828 50 40 EFGB C/C(=N/NC(=O)CSc1nc2ccccc2o1)c1cccnc1 552299 GDQYMMRNNGEMIP-ODLFYWEKSA-N 326.381 2.855 50 40 EFGB Cc1ccc(-n2ncc3c(NNC(=O)c4ccccc4)ncnc32)cc1 547741 BHVLDXTXITXQIO-UHFFFAOYSA-N 344.378 2.881 50 40 EFGB O=C(COc1ccccc1)NN=C1CCN(Cc2ccccc2)CC1 59498347 MDQRICXEXHVRQR-UHFFFAOYSA-N 337.423 2.834 50 40 EFGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 3277911 OJSJPFIOWMNEJG-DEDYPNTBSA-N 343.814 2.941 50 40 EFGB COC[C@H](C)NC(=O)/C(C#N)=C/c1cc(Br)ccc1F 13135431 XEOYYLQEIIZMPT-WUFUFFIZSA-N 341.180 2.646 50 40 EFGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)C(C)(C)C)c1C 9417875 ZUQLHIYSIRSVBK-MHWRWJLKSA-N 346.427 2.817 50 40 EFGB CCc1sc(C(=O)NNC(=O)[C@@H](OC)c2ccccc2)cc1C 83817527 XFFIQYRIFIIEMO-HNNXBMFYSA-N 332.425 2.768 50 40 EFGB O=C(CC(=O)N/N=C\c1cccc2ccccc12)NCc1ccccc1 408753861 RBKFTWOVRWRURE-HAHDFKILSA-N 345.402 2.996 50 40 EFGB CNC(=O)/C(C#N)=C/c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 277580 SLMFCNJGLSQGKN-JXMROGBWSA-N 327.296 2.516 50 40 EFGB Cc1cc2c(c(=O)n1C)[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 2357707 VZURMBAPKNUGLM-CQSZACIVSA-N 327.771 2.565 50 40 EFGB C[C@H]1CN(c2ccc(C(=O)NNc3ccc(F)cc3)cn2)C[C@@H](C)O1 47528053 IFRVVKKIAYTDMI-BETUJISGSA-N 344.390 2.591 50 40 EFGB C[C@H]1CN(C(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2)C[C@@H](C)O1 8241443 JSFCHCKXDLXVBV-UEIZPBIESA-N 336.338 2.831 50 40 EFGB Cc1ccc(C)c(C(=O)CCC(=O)NNC(=O)c2cc(C)oc2C)c1 6509124 DEALMQDSIFQPGD-UHFFFAOYSA-N 342.395 2.937 50 40 EFGB Cc1cccc2c1[C@@]1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 8748383 FYXYIAVNUBWLQH-FQEVSTJZSA-N 349.390 2.552 50 40 EFGB C#CCOc1ccc(OC)cc1/C=C(/C#N)C(=O)Nn1c(C)ccc1C 409389006 YSRMAGLNTKLUMV-BOPFTXTBSA-N 349.390 2.803 50 40 EFGB O=C(Cc1cccc(F)c1)NNC(=O)C12CC3CC(CC(C3)C1)C2 17157071 DYWVUPVVLZUIQS-UHFFFAOYSA-N 330.403 2.732 50 40 EFGB COc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 5879926 PJRXNTYBGZMSAN-OVCLIPMQSA-N 336.347 2.647 50 40 EFGB CCc1ccc2c(c1)/C(=N\NC(=O)c1cccc(Cl)c1)C(=O)N2 8446277 RQYJDJMBOJMJDD-UHFFFAOYSA-N 327.771 2.989 50 40 EFGB CC1(C)[C@@H]2C[C@@H]1C[C@H]1OB([C@H](N)CCCBr)O[C@]21C 607701830 FEXGWQLLVNLRTO-CYRBOEJBSA-N 330.075 2.756 50 40 EFGB O=C(CCc1c[nH]c2ccccc12)NNC(=O)c1ccccc1F 3427555 UJTFAWVFAUUNGP-UHFFFAOYSA-N 325.343 2.701 50 40 EFGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2cccs2)c(C)c1 1894993 KWHHAHHFZCZUML-UHFFFAOYSA-N 345.424 2.545 50 40 EFGB C=CCSC1=C(C#N)[C@@H](c2ccc(OC)c(OC)c2)CC(=O)N1 2158265 GEKFIVMSKGSYCL-GFCCVEGCSA-N 330.409 2.962 50 40 EFGB CCOC(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(C)cc2)c1 8238218 OPMSYCXTRSNGPX-UHFFFAOYSA-N 341.367 2.638 50 40 EFGB COC[C@@H](C)OC(=O)/C(C#N)=C\c1coc2ccc(Cl)cc2c1=O 4646993 QWQWZBIJSDWAJE-KMFOOYFMSA-N 347.754 2.931 50 40 EFGB COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc([N+](=O)[O-])c1O 409044476 CRSIUBANARKHCP-JRFMUNAVSA-N 347.371 2.585 50 40 EFGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1c(O)ccc2ccccc12 409146770 URYVVRZPALDBNU-SRZZPIQSSA-N 348.358 2.967 50 40 EFGB O=C(CCC(=O)N1CCc2sccc2C1)NNc1ccc(F)cc1 55797168 VESDFFSLPQVPAI-UHFFFAOYSA-N 347.415 2.695 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2ccccc2Cl)c(OC)c1 566706 RGZLHGOTMATRQP-VXLYETTFSA-N 348.786 2.886 50 40 EFGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cccc(Cl)c1 2639706 NLWZBDIFIYXTAE-UHFFFAOYSA-N 327.771 2.825 50 40 EFGB COC[C@@H](OC)[C@H](Cl)C(=O)Nc1ccc(Br)cc1 1593505 POFFKFJTJWAGOY-MNOVXSKESA-N 336.613 2.656 50 40 EFGB CC1(C)[C@@H]2C[C@@H]3C[C@H](C(=O)O)[C@H](C(=O)O)C[C@@]3(C2)[C@@H]1Br 103888732 CETNOZJJQQHALZ-VAKZWYMESA-N 345.233 2.998 50 40 EFGB C/C(N)=C(\C#N)C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 104676195 DDEMVWSUIRSEIL-CLFYSBASSA-N 334.382 2.622 50 40 EFGB CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2C)ccc1O 3101558 LPPCYFWBKSJYLD-RGVLZGJSSA-N 342.395 2.937 50 40 EFGB Cn1ncc2c1CCC/C2=N/NC(=O)CCSc1ccc(F)cc1 43934169 KGRNDLZCGHNCNT-HKWRFOASSA-N 346.431 2.898 50 40 EFGB COC(=O)c1ccccc1NC(C#N)=C1C(=O)c2ccccc2C1=O 149271 AMUAHTSEOPSHQE-UHFFFAOYSA-N 332.315 2.742 50 40 EFGB Cc1ccc(OCC(=O)NNC(=O)c2ccc(Cl)cc2)c(C)c1 568887 NNFQJXYDFHZQLF-UHFFFAOYSA-N 332.787 2.797 50 40 EFGB C=CCc1ccccc1OCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 5290808 RINVLWPYNOEIDT-XDHOZWIPSA-N 339.351 2.852 50 40 EFGB COC(=O)/C(C#N)=C/c1ccc(COc2ccccc2[N+](=O)[O-])o1 2778445 OBQLMQZBUZZFNC-DHZHZOJOSA-N 328.280 2.847 50 40 EFGB COc1ccccc1C(=O)N/N=C(\C)c1cc2ccccc2oc1=O 68601388 YNSUOVVUTBACAJ-UDWIEESQSA-N 336.347 2.956 50 40 EFGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1O 36174382 IRYSPIRBYJZRDZ-GIJQJNRQSA-N 347.302 2.602 50 40 EFGB COc1ccc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc1OC 409383595 XWJIXVVGZSHCHP-DHDCSXOGSA-N 325.368 2.799 50 40 EFGB CC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@@H](n2cnc3c(N)ncnc32)O1 195496526 JROPDPSZZDSLDJ-RYUDHWBXSA-N 347.495 2.884 50 40 EFGB CN1[C@H]2CC[C@@H]1C=C1C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccs3)[C@H]12 13719263 VCWFGDAOTFYHFQ-HWHUXHBOSA-N 347.447 2.634 50 40 EFGB Cc1cccn2c(=O)c(C=C(C#N)C#N)c(N3C[C@@H](C)C[C@@H](C)C3)nc12 18140674 DBCFRHLCCWNANZ-OKILXGFUSA-N 347.422 2.916 50 40 EFGB CCOC(=O)/C(C#N)=C/c1c(C)nn(-c2cccc([N+](=O)[O-])c2)c1C 408995063 IJRHLNHKLIMRKQ-MDWZMJQESA-N 340.339 2.867 50 40 EFGB CCOc1cc(/C=C(\C#N)C(N)=S)cc(Br)c1O 408541511 BNPURZRSZYPMLH-FPYGCLRLSA-N 327.203 2.746 50 40 EFGB COc1cccc(C(=O)Cl)c1OS(=O)(=O)c1ccccc1 218718955 PTEAAXACUSMDPC-UHFFFAOYSA-N 326.757 2.842 50 40 EFGB O=C(N/N=C1\C(O)=Nc2c(Cl)cc(Cl)cc21)[C@@H]1CCCO1 43972847 UPMJXVUOXYIURN-VIFPVBQESA-N 328.155 2.594 50 40 EFGB CCc1ccc(OCC(=O)N/N=C/c2ccccc2)c([N+](=O)[O-])c1 225947 IFYLJETXSFOEMC-WOJGMQOQSA-N 327.340 2.686 50 40 EFGB N#CC1=C(SCC(=O)NC2CC2)N=C(O)[C@@H](C#N)C12CCCCC2 1311667 ZVKHYVQLEOFZNO-GFCCVEGCSA-N 344.440 2.794 50 40 EFGB COc1cccc(/C=N/NC(=O)c2cc3c(OC)cccc3[nH]2)c1O 2213507 KTAMRCUYDRGVRT-VXLYETTFSA-N 339.351 2.655 50 40 EFGB CCOc1cc(/C=C(\C#N)C(=O)OCCOC)cc(Cl)c1OC 5068648 CYWFUGGLINMOJM-KPKJPENVSA-N 339.775 2.844 50 40 EFGB Cn1nc(C2CC2)cc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253399221 IORCKRIWJFOISR-INIZCTEOSA-N 338.411 2.748 50 40 EFGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@H]2[C@@H]1c1ccccc1Cl 5584268 SOVOGRRNXZFYMJ-BREBYQMCSA-N 342.708 2.611 50 40 EFGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1O 14134330 OXMWWTWFBADNBS-CAOOACKPSA-N 349.730 2.726 50 40 EFGB CCc1c(C(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)csc1C 102603427 OLYVILMCKRBCMW-MJVIPROJSA-N 337.514 2.916 50 40 EFGB CCn1c(C)nc2cc(C(=O)N/N=C/c3cccc(O)c3O)ccc21 3251050 LSKQZPPTIRKPAD-VXLYETTFSA-N 338.367 2.540 50 40 EFGB COc1ccc(/C=N/NC(=O)c2cc3c(OC)cccc3[nH]2)cc1O 2230862 BIXFURJXJQCIQR-VXLYETTFSA-N 339.351 2.655 50 40 EFGB CCOc1ccc(N[C@H](CC)C(=O)N/N=C/c2ccccn2)cc1 2747482 XVIFLIZOGRXTPS-UOBPLZBXSA-N 326.400 2.821 50 40 EFGB COc1ccc([C@@H]2[C@@H]3CSCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 20026740 VLGSDIRAROUSRY-IAGOWNOFSA-N 348.431 2.852 50 40 EFGB CCOc1ccc(N2C(S)=C(C#N)C(=O)N[C@H]2c2ccco2)cc1 19810114 JQVNZJQTIPDBIB-OAHLLOKOSA-N 341.392 2.978 50 40 EFGB COc1cccc(/C=N/NC(=O)COc2ccc(C)c(C)c2)c1OC 8182725 OXDVDOPBXPZZMA-RGVLZGJSSA-N 342.395 2.850 50 40 EFGB N#C/C(=C/c1ccco1)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 71883528 NECSEEYQIQRUKA-ICDLMJIXSA-N 343.333 2.860 50 40 EFGB C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 137732 WOUJHGBRGBAGGE-VKPPLCHCSA-N 337.719 2.759 50 40 EFGB O=C(NNc1nc2cc3c(cc2s1)OCCO3)c1ccccc1 4121508 HXNFCTJDBFLZSH-UHFFFAOYSA-N 327.365 2.824 50 40 EFGB Cc1nc2ccccn2c1C(=O)NNC(=O)c1c(F)cccc1Cl 30014647 BNENAYSJLGTWRF-UHFFFAOYSA-N 346.749 2.510 50 40 EFGB O=[P@]1(N(CCCl)CCCl)NCC[C@@H](C(F)(F)F)O1 1762212 KJCIGHRTQNBIGS-ULCDLSAGSA-N 329.086 2.815 50 40 EFGB C/C(=N\NC(=O)C(=O)NC(C)C)c1ccc(-c2ccc(F)cc2)s1 42645087 SIHIKGRPTKJXIZ-RGVLZGJSSA-N 347.415 2.919 50 40 EFGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1 408861588 SZCGMKIHUSAKDS-VXLYETTFSA-N 346.770 2.656 50 40 EFGB Cc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1[N+](=O)[O-] 408967659 RLMIBPHXXJTWPH-DJKKODMXSA-N 326.287 2.678 50 40 EFGB NNC(=O)Cn1c(-c2ccc(Cl)cc2)cn2c3ccccc3nc12 34798159 XDHIUHDENAMDDR-UHFFFAOYSA-N 339.786 2.599 50 40 EFGB NNC(=O)c1cn(C(=O)COc2ccc(Cl)cc2)c2ccccc12 218740475 STHUZVPCXHBVMF-UHFFFAOYSA-N 343.770 2.617 50 40 EFGB Cc1cc(C)c2c(N)c(C(=O)NNC(=O)c3ccccc3)sc2n1 412157 XPCFITJFVOREEZ-UHFFFAOYSA-N 340.408 2.570 50 40 EFGB COc1cc(/C=N/NC(C)=O)ccc1Oc1ccccc1[N+](=O)[O-] 59475440 BTGSQOBKEVQMCG-LICLKQGHSA-N 329.312 2.866 50 40 EFGB CCCCC[C@@H](O)CCC(=O)N/N=C/c1ccc(OC)c(OC)c1 2255041 SMUWMDPURWKEDN-DQPIFXJKSA-N 336.432 2.875 50 40 EFGB COc1cc(/C=N/NC(=O)CSCc2ccccc2)ccc1O 5357575 PAUSLACXMIDATG-VCHYOVAHSA-N 330.409 2.784 50 40 EFGB NNC(=O)c1cc(-c2ccccc2)nc2nc(N3CCCC3)sc12 5958352 XTUCOWMUBBUUSP-UHFFFAOYSA-N 339.424 2.562 50 40 EFGB C[C@H](Sc1ccc(Cl)cc1)C(=O)NNC(=O)c1cccnc1 9882699 PABNBYMERHOIMY-JTQLQIEISA-N 335.816 2.677 50 40 EFGB CNC(=O)/C(C#N)=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408545360 YFKYPLKFPNHULT-WQLSENKSSA-N 349.346 2.634 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)CNc2cccc(C)c2)cc1OC 220592 FXPCFYYTSUACRZ-KGENOOAVSA-N 341.411 2.965 50 40 EFGB O=C(N/N=C/c1cccnc1)[C@@H]1COc2cc3ccccc3cc2O1 435132 MIIGLTHHSZPJQO-NIQDBXHUSA-N 333.347 2.525 50 40 EFGB O=[N+]([O-])c1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2Cl)c([N+](=O)[O-])c1 1598689 GQLQCMKDSNJDKL-ONGXEEELSA-N 348.764 2.827 50 40 EFGB O=C(NNC(=O)c1cc2ccccc2cc1O)NC1CCCCC1 2742666 CPGOYJDREASSEO-UHFFFAOYSA-N 327.384 2.822 50 40 EFGB C/C(=N\NC(=O)COc1ccc(F)cc1)c1ccc2c(c1)OCCO2 13150172 WETNWJWHUSVADL-UDWIEESQSA-N 344.342 2.516 50 40 EFGB COc1cc2ccccc2cc1C(=O)NNC(=O)c1ccccc1O 5171982 HVBUVJJTJGLTQI-UHFFFAOYSA-N 336.347 2.629 50 40 EFGB CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)ccc1O 409268613 WOUWXAVFBARZFK-MHWRWJLKSA-N 340.470 2.827 50 40 EFGB COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(OC)c1OC 408975310 AEIBMBRGTCCNRF-VGOFMYFVSA-N 341.367 2.773 50 40 EFGB CCOc1cc(/C=N\NC(=O)c2ccc(C)nc2)cc(Cl)c1O 30803062 DPWJJLGRZJUSSG-UWVJOHFNSA-N 333.775 2.912 50 40 EFGB COC(=O)c1ccccc1N/C=C(/C#N)C(=O)NCCc1ccccc1 101396076 YBXMPOICVNFNIT-PEZBUJJGSA-N 349.390 2.651 50 40 EFGB O=C(NNC(=S)Nc1cccc(C(F)(F)F)c1)c1ccncc1 6511563 YZMIGGUQQFCJEJ-UHFFFAOYSA-N 340.330 2.732 50 40 EFGB C/C(=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1 13881980 ATIVGOUFQXOMKD-RQZCQDPDSA-N 346.274 2.796 50 40 EFGB O=C(COC1CCCCC1)NNC(=O)Cc1cccc2ccccc12 84598362 AVMVWVXCNCWWPJ-UHFFFAOYSA-N 340.423 2.879 50 40 EFGB CCOc1ccc(C(=O)N/N=C\c2cccc(OC)c2)cc1OC 30968148 ZLWQDUKMRWESNF-UNOMPAQXSA-N 328.368 2.866 50 40 EFGB NNC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 226307080 XTCOXYDLZURFGZ-UHFFFAOYSA-N 325.151 2.816 50 40 EFGB CC(C)Oc1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)c(O)c1 408692654 RRACOHUEAINTNA-UFFVCSGVSA-N 345.374 2.881 50 40 EFGB CCN1CCN(c2c(Cl)cc(C(=O)Cl)cc2[N+](=O)[O-])CC1 70462682 TUGWULQMPCNGBL-UHFFFAOYSA-N 332.187 2.769 50 40 EFGB C/C(=N\NC(=O)CNC(=O)c1cccc(F)c1)c1ccc(Cl)cc1 13765948 FDABSYYJLQVGSC-SRZZPIQSSA-N 347.777 2.749 50 40 EFGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1cccc([N+](=O)[O-])c1 15219418 HRARGZHOXSGABR-SDQBBNPISA-N 337.291 2.869 50 40 EFGB CCN(CC)c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 3525956 WGLXWNOFIZZVIP-GZTJUZNOSA-N 330.344 2.798 50 40 EFGB Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)C(C)C)cc12 15983843 DSVWIMYTPBPSNN-UHFFFAOYSA-N 342.424 2.812 50 40 EFGB Cc1cc2c(c(=O)o1)[C@@H](c1ccc(OC(F)F)cc1)C(C#N)=C(N)O2 67059 OSPNQBTUIOZZKO-ZDUSSCGKSA-N 346.289 2.768 50 40 EFGB C[C@@H]1CCc2sc(C(=O)N/N=C3/C(=O)Nc4ccccc43)cc2C1 102736551 NZCYUOMWLOFHBS-SNVBAGLBSA-N 339.420 2.959 50 40 EFGB Cc1ccc2[nH]c(=O)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 421466 SIMXMLMQLFTLFZ-KRWDZBQOSA-N 347.374 2.651 50 40 EFGB CN(C)C(=O)/C(C#N)=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 1106429 SNKFLTVBKLYRMS-UKTHLTGXSA-N 338.323 2.777 50 40 EFGB CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1cc(C)ccc1C 4867087 VKRBFXHWXNEDMA-UDWIEESQSA-N 339.395 2.791 50 40 EFGB CCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(C)cc2)CC(=O)N1 6324052 ZPSGYDGRCVHYKW-AWEZNQCLSA-N 343.452 2.593 50 40 EFGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccccc1Cl 409361053 GMEVHHFXFMJAOM-YBFXNURJSA-N 330.771 2.804 50 40 EFGB CCOC(=O)/C(C#N)=C/c1cc2ccccc2nc1N1CCOCC1 19949306 PJGFJPMNTNDAEA-FOWTUZBSSA-N 337.379 2.541 50 40 EFGB COCCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccn2)c1C 409250979 ZFFHHSRVWBRZQC-LFIBNONCSA-N 325.368 2.586 50 40 EFGB Nc1ccccc1C(=O)N/N=C\c1ccc(-c2cccc(C(=O)O)c2)o1 408718893 UGOZLJGJIOUIEO-NHDPSOOVSA-N 349.346 2.991 50 40 EFGB O=C(N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2[nH]cnc2c1 32577015 BFFKJWJHYFULLX-GXHLCREISA-N 343.730 2.888 50 40 EFGB CCN(C(=O)OCc1ccccc1)C1CCN(C(=O)CCl)CC1 79411936 MVJGHDLZOIFYLH-UHFFFAOYSA-N 338.835 2.875 50 40 EFGB CCn1nc(C)c(Cl)c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 253396139 DFBWJHRLSFIDQJ-LBPRGKRZSA-N 332.791 2.680 50 40 EFGB O=C(N/N=C/c1ccccn1)c1ccn(Cc2ccc(Cl)cc2)n1 132263 SALXNZSTIQVSJL-RGVLZGJSSA-N 339.786 2.744 50 40 EFGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@@H]2[C@@H]1c1ccccc1Cl 5584264 SOVOGRRNXZFYMJ-NRUUGDAUSA-N 342.708 2.611 50 40 EFGB O=C(N/N=C/c1ccc(Br)c([N+](=O)[O-])c1)c1ccco1 8043671 JXXXOCAOGUZUDX-VGOFMYFVSA-N 338.117 2.714 50 40 EFGB O=C(N/N=C\c1cccs1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4471696 DPHRWPSMQBGDJW-RGVUVNHFSA-N 347.827 2.905 50 40 EFGB Cc1ccsc1/C=N/NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 526795 GEFJOLOVTNUOGB-BFNDQCEFSA-N 345.399 2.699 50 40 EFGB O=C(O)COc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1 12406841 ZYPAXXACDDTMGB-NVMNQCDNSA-N 332.743 2.567 50 40 EFGB Nc1ccc(C(=O)NNC2=C(C(=O)C(F)(F)F)CCCCC2)cc1 59489003 UMRITPZRVBPGOG-UHFFFAOYSA-N 341.333 2.853 50 40 EFGB CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1cccc(Cl)c1 57509119 ASKUSNIKTZRQLQ-GFCCVEGCSA-N 329.183 2.750 50 40 EFGB CCc1ccc(C(=O)NNC(=S)Nc2ccc3c(c2)OCO3)s1 6519318 YQVFBMLCSRUJGJ-UHFFFAOYSA-N 349.437 2.671 50 40 EFGB COc1cccc(CC(=O)N/N=C\c2cn(CC#N)c3ccccc23)c1 35044241 NOFYOSCGMHXXEA-XKZIYDEJSA-N 346.390 2.866 50 40 EFGB C/C(=N\NC(=O)CNc1ccc2c(c1)OCO2)c1ccc(C)c(C)c1 409142039 AQGQGYIHSMOILU-KGENOOAVSA-N 339.395 2.984 50 40 EFGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1cccc(F)c1 481937 PZXCDQDUDYJMLI-OAHLLOKOSA-N 333.322 2.885 50 40 EFGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccccc1C(=O)O 59334447 FHUAULLWOVGWSY-GDNBJRDFSA-N 337.379 2.788 50 40 EFGB COc1cc(/C=C(/C#N)C(=O)N2CCCCC2)cc(OC)c1OC 2744699 LRBVVVDSLSNNAH-ZROIWOOFSA-N 330.384 2.632 50 40 EFGB C/C(=N\NC(=O)c1nc2ccccn2c1C)c1ccc2c(c1)OCO2 4863948 YCQXXDDOMKEXIV-RGVLZGJSSA-N 336.351 2.525 50 40 EFGB CC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(C)c([N+](=O)[O-])c2)cc1 33329374 WMINJRSJQOCQDH-ZDLGFXPLSA-N 340.339 2.626 50 40 EFGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(Cl)s1 12679741 CKNWFHZTFRBBEP-UHFFFAOYSA-N 333.800 2.887 50 40 EFGB Cc1ccc(C(=O)N/N=C/c2ccc(O[C@@H](C)C(=O)O)cc2)cc1 59247849 IAXYOUIYNRFQHD-MDBUFAAASA-N 326.352 2.611 50 40 EFGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1O 409256386 KTKLUPZOCZJIMJ-DJKKODMXSA-N 345.786 2.751 50 40 EFGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccnc3)o2)cc1 408719036 GVPSIMXFZCERRO-CIAFOILYSA-N 349.346 2.892 50 40 EFGB COC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 252478431 AMDZMUYBLPEGBM-YFHOEESVSA-N 328.280 2.943 50 40 EFGB Cc1cc(Br)cc(/C=N/NC(=O)c2ccccn2)c1O 219278 FHATTZZCODIWNX-CAOOACKPSA-N 334.173 2.622 50 40 EFGB Cc1cc(C(=O)N/N=C2\C(O)=Nc3ccc([N+](=O)[O-])cc32)c(C)o1 7159690 KQLUXACOIGOHRL-UHFFFAOYSA-N 328.284 2.540 50 40 EFGB CS(=O)(=O)[C@@H](Br)[C@@H](O)c1ccc(Cl)cc1Cl 96519047 PJXIQQOTULEVNB-DTWKUNHWSA-N 348.045 2.792 50 40 EFGB Cc1cc(C)n(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)n1 531495 KDBDFWGLBNDZNK-REZTVBANSA-N 325.199 2.957 50 40 EFGB CCOC(=O)c1c(N/C(C)=C(\C#N)C(N)=O)sc2c1CC[C@H](C)C2 6850299 CACLKASASTWTHR-QTLFRQQHSA-N 347.440 2.744 50 40 EFGB O=C(NNC(=S)NCc1ccccc1)c1cc2ccccc2o1 380957 ZIDPMPVOGHHZLB-UHFFFAOYSA-N 325.393 2.742 50 40 EFGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cccc(O)c1 3095574 YRTQWVNHNJRQGU-LICLKQGHSA-N 333.185 2.848 50 40 EFGB C=CCc1cc(/C=C(\C#N)C(=O)NCCCOC)cc(OCC)c1O 408812725 NJZLJFOVLGDXNJ-LFIBNONCSA-N 344.411 2.579 50 40 EFGB N#CC1=C(S)NC(=O)[C@@H](C(=O)Nc2ccccc2)C12CCCCC2 95117483 WWSVIZGCZZVOPI-CQSZACIVSA-N 341.436 2.987 50 40 EFGB NNC(=O)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2 5740824 HVCMJOLURSXSDQ-UHFFFAOYSA-N 332.201 2.573 50 40 EFGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CC(C)C)c(OC)c1 1791611 OOHZDZNIWPUQAW-XNTDXEJSSA-N 342.395 2.856 50 40 EFGB Cc1cc2c(c(=O)o1)[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 48869 CHZLLSSWQZIJFJ-LBPRGKRZSA-N 332.718 2.959 50 40 EFGB O=C(N/N=C/c1cccc(Cl)c1Cl)c1cc(O)c(O)c(O)c1 369667 XZEPRUUQLSYNQG-UBKPWBPPSA-N 341.150 2.874 50 40 EFGB CCOc1ccccc1OCC(=O)N/N=C/c1cc(C)ccc1O 345238 NZPUHCMFSUCMPP-YBFXNURJSA-N 328.368 2.628 50 40 EFGB CCOC(=O)Cc1sc(NC(=O)CCl)c(C(=O)OCC)c1C 365877 ABEXHMFQXVFOHQ-UHFFFAOYSA-N 347.820 2.516 50 40 EFGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccccc1C(=O)O 3295852 HWCRWUFDJDUSDO-GIJQJNRQSA-N 332.743 2.567 50 40 EFGB O=C(NNC(=O)c1ccc2ccccc2n1)c1ccc2ccccc2n1 1593635 AXNNVHDQPASUNV-UHFFFAOYSA-N 342.358 2.858 50 40 EFGB O=S(=O)(O)c1cccc(Br)c1CCBr 199753337 LZFJWHMKLZSUMR-UHFFFAOYSA-N 344.024 2.633 50 40 EFGB N#CCOc1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1 59472801 JMLMRHBEBVFLBT-UDWIEESQSA-N 339.420 2.972 50 40 EFGB O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccc(Br)o1 70311 HYBFCLBLXQDFFQ-LFYBBSHMSA-N 344.146 2.776 50 40 EFGB C/C(CC(=O)Nc1cc(C)ccn1)=N\NC(=O)c1cccc(F)c1 4697904 RZPUFJMVSQQRQV-CIAFOILYSA-N 328.347 2.664 50 40 EFGB CCn1cc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)n1 2758560 BDJZAFHGXFNFFT-YOEHRIQHSA-N 332.411 2.805 50 40 EFGB O=C(CSc1nc2ccccc2s1)NNC(=O)c1ccccc1 3602783 LFOMWIFDZZYCLG-UHFFFAOYSA-N 343.433 2.850 50 40 EFGB Cc1cc2c(cc1C)CN(CC(=O)N/N=C/c1ccc(F)cc1)C2 409206638 ZCPAHJPBSWEEDT-ZVBGSRNCSA-N 325.387 2.908 50 40 EFGB O=C(N/N=C\c1ccc(-c2ccccc2C(=O)O)o1)c1ccncc1 408876585 MNQRGIGTGKBTRS-JAIQZWGSSA-N 335.319 2.804 50 40 EFGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)C[C@H]1C1CC1 19203641 CQTYXSGRDPSVHK-GOEBONIOSA-N 333.351 2.878 50 40 EFGB Cc1cc(O)cc(O)c1/C=N/NC(=O)COc1c(C)cccc1C 220895 VMHIBRWBMVGIGQ-DJKKODMXSA-N 328.368 2.552 50 40 EFGB COc1ccc(/C=N/NC(=O)c2ccc(C)cc2OC)c(OC)c1 4502195 HRANIALTLRXUEY-YBFXNURJSA-N 328.368 2.785 50 40 EFGB COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)c(O)c([N+](=O)[O-])c1 408948297 CPGGTBXAMJGZEM-CWAYSNJRSA-N 347.371 2.585 50 40 EFGB CN(C)c1ccc([N+](=O)[O-])cc1/C=N\NC(=O)Nc1ccccc1 408996409 DLVZVNYPHWDOOM-BOPFTXTBSA-N 327.344 2.816 50 40 EFGB O=C(NNc1nc2cc3c(cc2s1)OCO3)c1ccc(F)cc1 429777 BANGAKVBZVTDRG-UHFFFAOYSA-N 331.328 2.921 50 40 EFGB CCOc1ccc(/C=N\NC(=O)CNc2ccccc2C)cc1OC 30708197 PFFUPNFARKIAOV-MTJSOVHGSA-N 341.411 2.965 50 40 EFGB N#CC1=C(N)Nc2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 4813202 HUNFVSFPWDLSTR-OAHLLOKOSA-N 332.323 2.653 50 40 EFGB COc1cccc(-c2n[nH]c3c2[C@H](c2ccncc2)C(C#N)=C(N)O3)c1 5817961 XIPDYBYUOOWKEP-OAHLLOKOSA-N 345.362 2.698 50 40 EFGB O=C(NNC(=S)NCCCc1ccccc1)c1cccc(F)c1 408588808 ZCRYTWNDYPQPCA-UHFFFAOYSA-N 331.416 2.567 50 40 EFGB COc1cc(/C=N/NC(=O)COc2ccccc2)cc(Cl)c1O 408526482 BTXMPXAHEUNMRG-GIJQJNRQSA-N 334.759 2.583 50 40 EFGB C/C(=N/NC(=O)COc1cccc2cccnc12)c1ccc(N)cc1 1462655 XXYUGWLEZKSWLS-XKZIYDEJSA-N 334.379 2.736 50 40 EFGB O=C(N/N=C/c1cc([N+](=O)[O-])c(O)c2ncccc12)c1ccccc1 59459146 LSRQTBJGAHZDHP-VXLYETTFSA-N 336.307 2.613 50 40 EFGB N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)NCCOc1ccccc1 4693887 WTUDLAGIIXXVRZ-QINSGFPZSA-N 337.335 2.697 50 40 EFGB Cc1cc(C(=O)NNC(=O)c2cnc(Cl)c(Cl)c2)c(C)o1 15835220 CFIJTMVMRQJKRN-UHFFFAOYSA-N 328.155 2.673 50 40 EFGB COc1ccc(/C=C/C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 409074803 RTUHGANXSHPQHO-INVULMLHSA-N 325.324 2.767 50 40 EFGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1c(F)cccc1F)OCO3 85408860 TVCSDEOGDMMGOM-OAHLLOKOSA-N 328.274 2.912 50 40 EFGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(CC)cc2)CC(=O)N1 9088733 YAJYTOQYGFVRJB-CQSZACIVSA-N 344.436 2.884 50 40 EFGB CCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)cc2)CC(=O)N1 6324077 ZPSGYDGRCVHYKW-CQSZACIVSA-N 343.452 2.593 50 40 EFGB Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=N/NC(N)=O 7779180 UMOXCLHNODLBMC-KPSZGOFPSA-N 345.712 2.855 50 40 EFGB NC1=N/C(=N\NC(=O)Cc2cccc3ccccc23)c2ccccc21 16526277 WIYTYKFPIUXFBB-UHFFFAOYSA-N 328.375 2.579 50 40 EFGB O=C(COc1ccccc1)N/N=C/c1ccc(N2CCCCC2)o1 408989953 JNBQFUSQEPZMPW-CPNJWEJPSA-N 327.384 2.799 50 40 EFGB COc1ccc(CNS(=O)(=O)[C@H]2CCCC[C@H]2Cl)cc1OC 65493929 YHODIRTYJYFZRP-DOMZBBRYSA-N 347.864 2.673 50 40 EFGB CC(C)(CCl)C(=O)Nc1ccc2nnc(-c3ccccc3)n2n1 2565104 WLVBLCOKISQHNM-UHFFFAOYSA-N 329.791 2.995 50 40 EFGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2F)[C@@H]2CSCC=C12 23410407 KNMJCTMQJHUUHV-GDBMZVCRSA-N 336.395 2.982 50 40 EFGB CCOC(=O)C/C(C)=N/NC(=O)CNc1cccc(Cl)c1C 4698833 LNTHMGXCMJVKFO-VCHYOVAHSA-N 325.796 2.506 50 40 EFGB CCCOc1ccc(/C(C)=N/NC(=O)Cn2nc(C)cc2C)cc1 6686907 MOQFBZYPTURRNQ-XDJHFCHBSA-N 328.416 2.829 50 40 EFGB Cc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 409217717 AIOJWZRNLYWNKI-CXUHLZMHSA-N 328.284 2.575 50 40 EFGB C#CCOc1ccc(OC)cc1/C=N\NC(=O)Cc1ccc(C)cc1 409361828 PZTDDWHQOLNLSD-STZFKDTASA-N 336.391 2.708 50 40 EFGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1cccc(Br)c1 16693948 GDGVXGUABJFUGA-JYRVWZFOSA-N 346.184 2.584 50 40 EFGB CCCCN1C(=O)/C(=N\NC(=O)c2ccc(O)cc2)c2ccccc21 3574568 YAUSPKMARHYNJE-JZJYNLBNSA-N 337.379 2.673 50 40 EFGB N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1ccc(O)cc1)Nc1ccccc12 492346 MFNITGBDWDKGCZ-QGZVFWFLSA-N 327.347 2.851 50 40 EFGB Cc1nn(C)cc1/C=N/NC(=O)CSc1nc2ccccc2s1 547299 HZTFAPWMGRVJGY-FRKPEAEDSA-N 345.453 2.581 50 40 EFGB O=[P@@]1(N(CCCl)CCCl)NCC[C@H](C(F)(F)F)O1 1762213 KJCIGHRTQNBIGS-MDTSDYNXSA-N 329.086 2.815 50 40 EFGB CN1CCC(=NNC(=O)CSCc2ccc(Cl)cc2)CC1 59646344 BPRVPWJRZXWYJW-UHFFFAOYSA-N 325.865 2.771 50 40 EFGB Cc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)c1ccccc1F 29002645 IPBOJPBKLMZTEM-UHFFFAOYSA-N 341.264 2.623 50 40 EFGB COc1ccc2cc([C@@H](C)C(=O)NNC(=O)c3cccnc3)ccc2c1 12909858 LJQMMDXFMHJSHR-CYBMUJFWSA-N 349.390 2.808 50 40 EFGB CC(C)[C@@H](NC(=O)Cc1cccs1)C(=O)N/N=C/c1ccccc1 3766156 BOCODLODJVBYOK-MIQLPHMESA-N 343.452 2.582 50 40 EFGB C/C(=N\NC(=O)CO/N=C(\C)c1cccs1)c1ccc(N)cc1 5447489 MMBLPPXWCVYNSA-IVGCYQQZSA-N 330.413 2.611 50 40 EFGB CC1=C(C#N)C(=O)NC(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 16694025 WRFRDWRLVGXRDZ-ZSOIEALJSA-N 349.302 2.735 50 40 EFGB Cc1nn(Cc2ccccc2)c(C)c1/C=N/NC(=O)c1ccncc1 3572171 YBXZAWFTLLDVMJ-CIAFOILYSA-N 333.395 2.707 50 40 EFGB CO[C@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 6180313 KAXINGIZPDWHPX-SOZFHFLDSA-N 342.439 2.738 50 40 EFGB CCn1c(C)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1C 409105895 PDCZHLZTUSEFFF-GIJQJNRQSA-N 345.472 2.774 50 40 EFGB COc1ccc(C(=O)OC(=O)c2ccc(OC)c(OC)c2)cc1OC 85641890 PJZFUQAHDYSNLZ-UHFFFAOYSA-N 346.335 2.718 50 40 EFGB in-vitro CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NNC(=O)C1CC1 103918407 XWIXXNGLCMFECZ-WJDWOHSUSA-N 344.390 2.633 50 40 EFGB O=C(CCc1c[nH]c2ccccc12)N/N=C/c1cccc2c1OCO2 4013669 LNOLATLIDCQIJV-SRZZPIQSSA-N 335.363 2.980 50 40 EFGB O=C(CCc1nc2ccccc2s1)NNC(=O)C1CCCCC1 6559188 UWJHDCFBYCLTIO-UHFFFAOYSA-N 331.441 2.957 50 40 EFGB COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(Cl)c1O 4739489 DJBFHLWDZMCYHM-AWQFTUOYSA-N 347.802 2.925 50 40 EFGB O=C(NNC(=O)c1ccccc1C(F)(F)F)c1ccccc1F 15991486 XBAPEJSVYDNVLR-UHFFFAOYSA-N 326.249 2.919 50 40 EFGB CCCOc1c(Br)cc(/C=C(\C#N)C(N)=O)cc1OC 2799520 BGMBVKYKJDAOEM-BJMVGYQFSA-N 339.189 2.639 50 40 EFGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc2c(c1)OCO2 59091 FRMIMVWNRBWKBH-DJKKODMXSA-N 326.352 2.561 50 40 EFGB O=C(N/N=C/c1cc(Cl)ccc1O)c1ccc2c(c1)OCCO2 206450 BVSMVQVTCUAIQQ-GIJQJNRQSA-N 332.743 2.581 50 40 EFGB CCCSC1=C(C#N)[C@@H](c2ccccc2)[C@H](C(=O)OC)C(=O)N1 103319516 PSRTYEFFPKOQPD-KGLIPLIRSA-N 330.409 2.568 50 40 EFGB C=CCOc1cccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)c1 107788291 YPSJXAUBGSTENK-DEDYPNTBSA-N 337.379 2.974 50 40 EFGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OC 111669296 RUHZCEAEDOFVKM-NDENLUEZSA-N 330.359 2.926 50 40 EFGB COc1cccc(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)c1 7765186 VHQNJSRZLONAQV-AWEZNQCLSA-N 342.395 2.541 50 40 EFGB COc1ccc(/C=N\NC(=O)c2ccc(C)nc2)cc1Br 30802953 HEVKPWCDUVXYIT-LSCVHKIXSA-N 348.200 2.925 50 40 EFGB COc1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc1OC 3099692 WMOGLTZHGDYVGX-KEBDBYFISA-N 347.802 2.919 50 40 EFGB CCC/C(=N\NC(=O)c1nc2nc(C)cc(C)n2n1)c1ccccc1 13784913 OEEUEONJPWXQAC-RCCKNPSSSA-N 336.399 2.675 50 40 EFGB O=C(O)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)on2)cc1 40017891 IMZYWLSLEWPRPJ-YBFXNURJSA-N 335.319 2.804 50 40 EFGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(O)c(O)c1 56214 DNTWKXAYOFHLSR-SRZZPIQSSA-N 335.363 2.813 50 40 EFGB CC1(C)CC(=O)C([C@H]2c3ccccc3CCN2C(=O)CCl)C(=O)C1 100676107 DBYJIKQERGJHHC-GOSISDBHSA-N 347.842 2.926 50 40 EFGB COc1ccccc1NCC(=O)N/N=C/c1cn(C)c2ccccc12 57476894 YSDSZMVCOSPXHD-SRZZPIQSSA-N 336.395 2.749 50 40 EFGB CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(O)c(Br)c1 59333971 LABXQNHZFVYXAK-BAQGIRSFSA-N 329.581 2.803 50 40 EFGB Cc1cccc(O[C@@H](C)C(=O)N/N=C2/CCCc3c2cnn3C)c1C 84219099 SOHBMLIWNWHQQC-FJGOLAJPSA-N 340.427 2.661 50 40 EFGB COC(=O)COc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc1 408871258 YMAGBIGFAWAOLL-QLYNWLFQSA-N 344.411 2.515 50 40 EFGB O=C(OC(=O)[C@@](F)(Cl)C(F)(F)F)[C@@](F)(Cl)C(F)(F)F 167907260 LISASEROUGWAKR-IMJSIDKUSA-N 342.953 2.990 50 40 EFGB Cc1ccc(OCC(=O)N/N=C/c2c(C)cc(O)c(C)c2O)cc1C 33037 PYFHPYBHUWYRAY-AWQFTUOYSA-N 342.395 2.861 50 40 EFGB N#C/C(=C\c1cc(Br)cs1)C(=O)NC[C@@H]1CCCO1 450614 BDAPDBDCDFZJJM-VKJYCEFSSA-N 341.230 2.713 50 40 EFGB COc1ccc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 5684540 RBGSHOAFIADOEY-VCHYOVAHSA-N 343.339 2.684 50 40 EFGB C/C(CCC(=O)O)=N/NC(=O)COc1ccc(Cl)cc1Cl 17021962 XQPRMLRTRGGGKN-PXNMLYILSA-N 333.171 2.729 50 40 EFGB C/C(N)=C(\C#N)C(=O)COC(=O)CCSc1ccccc1Cl 104665966 OBEORLGSSRCOKE-KHPPLWFESA-N 338.816 2.691 50 40 EFGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC)cc1 3139877 LPCXBPGZCZDNGW-XDHOZWIPSA-N 328.368 2.623 50 40 EFGB COc1cc2c(cc1/C=C(\C#N)C(=O)NC1CCCC1)O[C@H](C)C2 14178601 NVPMCWBVECQWQN-AZZDOICSSA-N 326.396 2.984 50 40 EFGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(O)cc1 4771114 ZDKYVWRNATURHG-OAHLLOKOSA-N 344.326 2.533 50 40 EFGB CSc1ncc(C(=O)NNc2ccc(Br)cc2)cn1 33736440 ACHLVIFKACCHJI-UHFFFAOYSA-N 339.218 2.718 50 40 EFGB C/C(=N/NC(=O)Cc1cccn1C)c1ccc(Br)cc1 73589 YXCYWZBYGZXNEI-BOPFTXTBSA-N 334.217 2.871 50 40 EFGB COc1ccc(OC)c(/C=N/NC(=O)c2cn(C)c3ccccc23)c1 524630 APYJSRWJFJUJQL-RGVLZGJSSA-N 337.379 2.959 50 40 EFGB CC(C)N1CC=C2[C@@H](C1)[C@H](c1ccccc1)C(C#N)=C(N)C2(C#N)C#N 126036 UHGQDQCGBDOXBI-IEBWSBKVSA-N 343.434 2.820 50 40 EFGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(C)cc(C)c2[nH]c1=O 420355 QDNFLOMOYLMMCH-QGZVFWFLSA-N 349.390 2.816 50 40 EFGB O=C1O[C@@H]2[C@H](I)[C@H]3C[C@@H]2[C@H]1[C@H]3c1ccccc1 4578671 HSYRRILDTLPLIV-JOGIVDDZSA-N 340.160 2.765 50 40 EFGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)c(O)c([N+](=O)[O-])c1 408956917 RTODBHANSMRVAO-IUXPMGMMSA-N 349.730 2.726 50 40 EFGB C[C@H](Oc1ccc(/C=N\NC(=O)Nc2ccc(F)cc2)cc1)C(=O)O 408852248 FJDGEVJEIGAOJL-ORPVNXHJSA-N 345.330 2.833 50 40 EFGB Cc1cccc(OCC(=O)N/N=C\c2ccc(N(C)C)cc2)c1C 30774271 LNSVYJNCIHQQEJ-NDENLUEZSA-N 325.412 2.899 50 40 EFGB CC(=O)Nc1cccc(C(=O)N/N=C\c2ccc(C)c([N+](=O)[O-])c2)c1 33329384 LRDSQMMZGHXFNY-ZDLGFXPLSA-N 340.339 2.626 50 40 EFGB Cc1nn(CC(C)C)c2sc(C(=O)NNC(=O)CC(C)C)cc12 39976173 WTYDGUHSDFNYBB-UHFFFAOYSA-N 336.461 2.869 50 40 EFGB CN(NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1ccccc1 32759128 KUFMOZLXZCODSI-AWEZNQCLSA-N 343.452 2.768 50 40 EFGB O=C(CI)Nc1ccc(O)c2ccccc12 1714507 ADGGZCDWGCLGNT-UHFFFAOYSA-N 327.121 2.919 50 40 EFGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccccc1Cc1ccccc1 103100533 SJQLASXYMUQVBO-JXAWBTAJSA-N 334.375 2.760 50 40 EFGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1cccc(C(=O)O)c1 59333767 UFNIXRKILPKNLQ-SXGWCWSVSA-N 337.379 2.788 50 40 EFGB COc1ccc2[nH]c(C(=O)N/N=C/c3cccc(OC)c3O)cc2c1 2329997 ITRYITUSDUVINR-VXLYETTFSA-N 339.351 2.655 50 40 EFGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccco1 409071686 OXMRFIOMYNOWAW-GZTJUZNOSA-N 330.344 2.798 50 40 EFGB COCCCNC(=O)/C(C#N)=C/c1cc(Br)ccc1F 6914500 YTEUFFGUJOMMPD-YRNVUSSQSA-N 341.180 2.648 50 40 EFGB Cc1nn(C)c(F)c1/C=N/NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 252481099 CHSWUIWJUISIQD-TVXXQFCOSA-N 334.782 2.775 50 40 EFGB O=C(NNC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 15096803 NGIKWNQJGSKWQD-UHFFFAOYSA-N 349.346 2.607 50 40 EFGB CC(C)(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O 100501693 ALTVSEFNOLOASZ-UHFFFAOYSA-N 336.299 2.634 50 40 EFGB CN(C)N1C(N)=C(C#N)[C@H](c2cccc(Cl)c2)C2=C1CCCC2=O 109187 YLYSPPHHZWXCME-INIZCTEOSA-N 342.830 2.917 50 40 EFGB Cc1ccc2nc(/N=N/C(N)=N\NC(=O)c3ccncc3)sc2c1 27666369 QSCHSQWRGAKUFX-QURGRASLSA-N 339.384 2.743 50 40 EFGB CN(NC(=O)CCCn1c(=O)oc2ccccc21)c1ccccc1 32748171 KKIPHGFQYXUPQZ-UHFFFAOYSA-N 325.368 2.542 50 40 EFGB CC(=O)Nc1ccc(C(=O)C(F)(F)[C@@H](F)Cl)c(NC(C)=O)c1 3015401 AYMQKDRHXTYJAO-GFCCVEGCSA-N 336.697 2.956 50 40 EFGB N#C/C(=C/c1ccco1)C(=O)NCCc1nc2c(s1)CCCC2 69970970 ITJDRTREFSLHDA-BENRWUELSA-N 327.409 2.881 50 40 EFGB COc1cc(/C=N/NC(=O)CSc2ccccc2C)ccc1O 32116730 AKLHJNBHSJFQJJ-VCHYOVAHSA-N 330.409 2.952 50 40 EFGB CCOc1ccc(OCCC(=O)NNC(=O)c2cc(C)oc2C)cc1 3613755 VXYWAZFXJGLTGG-UHFFFAOYSA-N 346.383 2.525 50 40 EFGB Cc1ncc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)s1 58429478 ZGSIZIQPVWGGEJ-UHFFFAOYSA-N 335.454 2.857 50 40 EFGB O=C(N/N=C/c1ccccc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 409157391 QPGGOWFLDHNRRD-HXJASHHUSA-N 341.798 2.843 50 40 EFGB CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCSSCC2)C1 89662443 YSNWZQJCPHPUPD-RYUDHWBXSA-N 346.518 2.903 50 40 EFGB COc1ccc(Cl)cc1/C=N/NC(=O)COc1ccccc1C#N 33110 RLJKPLPANRYZEO-KEBDBYFISA-N 343.770 2.749 50 40 EFGB O=C(COc1cccc(Br)c1)N/N=C\c1ccccc1O 18029543 SSAQBULNXJJKFV-MFOYZWKCSA-N 349.184 2.684 50 40 EFGB COc1ccc2ccccc2c1/C=N/NC(=O)CC1(C)OCCCO1 354091 UISSJPMDIPWXHV-DEDYPNTBSA-N 342.395 2.842 50 40 EFGB Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1O 145372 AKEMLCRHZIXMAJ-CAOOACKPSA-N 334.173 2.501 50 40 EFGB COC(=O)CSC1=C(C#N)[C@H](c2cccs2)C(C(C)=O)=C(C)N1 4638564 XNIDMGXMIKQIPI-OAHLLOKOSA-N 348.449 2.939 50 40 EFGB Cc1cc2c(c(=O)n1C)[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 2212596 GDZDASLNRFHVTB-ZDUSSCGKSA-N 345.761 2.704 50 40 EFGB COCCNC(=O)/C(C#N)=C\c1ccc(OCCC(C)C)c(OC)c1 3257736 DFMBDNOXCBCLGO-WJDWOHSUSA-N 346.427 2.790 50 40 EFGB CCOc1cc2c(cc1/C=N\NC(=O)c1ccc(C)cc1)OCO2 409105228 HRJICIAIAQURKC-GRSHGNNSSA-N 326.352 2.886 50 40 EFGB CCCCC(O)(CCCC)C(=O)N/N=C1\C(=O)N(C)c2ccccc21 5244421 ITNFINQSSPDOEX-SILNSSARSA-N 345.443 2.595 50 40 EFGB C[C@@H]1C=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3)[C@@]2(C)CN1C 19816638 XDCMOLBWROZGKQ-DJKXOVBDSA-N 343.434 2.820 50 40 EFGB COCCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2cccnc2)c1C 408855298 BZYBFMWJTYDTPW-GZTJUZNOSA-N 338.411 2.549 50 40 EFGB C/C(=N\NC(=O)COc1c(C)cc(C)cc1C)c1ccc(O)cc1O 32100101 VEPBBBCVDZESPH-XSFVSMFZSA-N 342.395 2.942 50 40 EFGB CCC[C@@H](C)NC(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1 40498105 LCYLIKGRRFMSGP-GFCCVEGCSA-N 337.420 2.615 50 40 EFGB CC(C)CC(=O)N[C@]1(C(Cl)Cl)N=C(c2ccccc2)NC1=N 101359299 XXSCPDHGEBFFGN-OAHLLOKOSA-N 341.242 2.676 50 40 EFGB Cc1cc(O)cc(O)c1/C=N/NC(=O)c1cccc(Br)c1 13844417 BKBXPGZYPATABT-CAOOACKPSA-N 349.184 2.933 50 40 EFGB COc1ccc(/C=C/C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 409074403 QWDXBICYXFWTHN-WKZRCPIQSA-N 325.324 2.767 50 40 EFGB O=C(Cc1cccs1)N/N=C\c1cc(Br)ccc1O 30738174 OGKNEGABTCKPRL-NVNXTCNLSA-N 339.214 2.909 50 40 EFGB Cc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)o1 115095 WLQNZOXWLUBZRW-KGENOOAVSA-N 334.375 2.974 50 40 EFGB CCC[C@@H](NC(=O)NNC(=O)Cc1csc(C)n1)c1ccccc1 40068849 PQMNEILXYRZIGB-OAHLLOKOSA-N 346.456 2.866 50 40 EFGB C[C@@H](Br)[C@H](O)c1cc2c(cc1Br)OCO2 1622010 ATLHCIZOBPXMBG-FWOIEVBISA-N 337.995 2.995 50 40 EFGB COc1ccc(NC(=S)NNC(=O)c2c[nH]c3ccccc23)cc1 5699733 NEZRXMAMESJZOR-UHFFFAOYSA-N 340.408 2.808 50 40 EFGB COc1ccc(C(=O)N/N=C/c2ccc(OC(C)C)cc2O)cc1 408587918 HSMKAEHLTUYHBS-YBFXNURJSA-N 328.368 2.952 50 40 EFGB Cc1cc(=O)oc2cc(OCC(=O)NN(C)c3ccccc3)ccc12 8728091 WPVNBZMEKQCLCJ-UHFFFAOYSA-N 338.363 2.648 50 40 EFGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccccc1O 252022 KYHASCHEWFDPOL-GIJQJNRQSA-N 348.200 2.717 50 40 EFGB CCn1c(NNC(=O)c2cccc(C)c2C)nc2ccccc2c1=O 11157109 KQFWMNQXZYSFON-UHFFFAOYSA-N 336.395 2.790 50 40 EFGB CCOc1cc(/C=N/NC(=O)c2ccc(C)nc2)cc(Cl)c1O 220816 DPWJJLGRZJUSSG-UFWORHAWSA-N 333.775 2.912 50 40 EFGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(F)cc2)[C@@H]2CSCC=C12 20026738 OWRZYFCVHSQAEN-CVEARBPZSA-N 336.395 2.982 50 40 EFGB C/C(=N\NC(=O)COc1ccc(Br)cc1)c1ccco1 4543504 IMCSSLVMGCGFDX-MHWRWJLKSA-N 337.173 2.961 50 40 EFGB CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408774343 ZMHWESVPVVTIKM-VCHYOVAHSA-N 341.323 2.592 50 40 EFGB N#C/C(=C/Nc1ccc(-n2cnc(Cl)c2Cl)cc1)c1nnn[nH]1 33691480 WSPULSNAKNKSHR-VURMDHGXSA-N 347.169 2.669 50 40 EFGB CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)cc(Cl)c1O 72535382 POYNBHJSOYTDRC-KPKJPENVSA-N 338.791 2.504 50 40 EFGB Cc1ccccc1O[C@@H](C)C(=O)N/N=C\c1ccc(C(=O)O)cc1 32114667 QSNRVCHTOUJFQQ-JFENUBAZSA-N 326.352 2.611 50 40 EFGB Cc1cc(C)c(OCC(=O)NNC2=CC(=O)CC(C)(C)C2)c(C)c1 32099995 AYPLBSYVSABQAW-UHFFFAOYSA-N 330.428 2.884 50 40 EFGB Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)/C(C#N)=C/C(C)C)cc1 585290101 RYWPDJGNMPNHIU-GFLCFMILSA-N 326.440 2.995 50 40 EFGB Cc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cs2)cc1C 59456 MXNVNAXDHWNCTH-FRKPEAEDSA-N 333.369 2.802 50 40 EFGB O=C1S[C@H](Nc2ccc(F)cc2)C(=O)N1CCBr 12289128 MIXLZDVFDLNMFM-VIFPVBQESA-N 333.182 2.654 50 40 EFGB COCCNC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1 5006559 UVYVBFKXUPTIIF-QGOAFFKASA-N 336.391 2.935 50 40 EFGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(Br)cc1 254206 NNWZSCVMHJCCPN-CAOOACKPSA-N 347.168 2.942 50 40 EFGB COc1cc(/C=N/NC(=O)COc2cc(C)cc(C)c2)ccc1O 345458 FGLVUHYQTQQUJP-VXLYETTFSA-N 328.368 2.547 50 40 EFGB Cc1ncsc1/C=C(/C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 78693210 YUDHECRBMRNFSM-JYRVWZFOSA-N 340.408 2.699 50 40 EFGB Cc1ccc(-[n+]2cc(NC(=O)/C(C#N)=C\c3ccccc3)on2)cc1 34761407 IHSQETFSUJWATB-WJDWOHSUSA-O 331.355 2.805 50 40 EFGB O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)N1CCCCCC1 59459697 SAGLBHAEEDDRAP-VCHYOVAHSA-N 342.226 2.846 50 40 EFGB O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 58886397 OKZPFAMNYSWYKN-IQFISFIMSA-N 327.340 2.559 50 40 EFGB O=C(NNC(=O)c1cnc(Cl)c(Cl)c1)Nc1ccccc1 6940049 ZYSUVKJLZFPNKT-UHFFFAOYSA-N 325.155 2.855 50 40 EFGB O=C(COc1cccc(Cl)c1Cl)NNC(=O)c1ccccc1 32666277 IVXQCCKPTXJFHH-UHFFFAOYSA-N 339.178 2.833 50 40 EFGB COc1cccc(NC(=O)C(=O)N/N=C(/C)CCc2ccccc2)c1 59515773 GUUIHIAMKJVDEZ-STZFKDTASA-N 339.395 2.759 50 40 EFGB Cc1ccc(NCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1C 59720866 UVEFFAIRRJRHSJ-AWQFTUOYSA-N 325.368 2.594 50 40 EFGB COc1ccccc1OCC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1 12362347 HAVDMYQJUZDFIM-LDADJPATSA-N 343.339 2.523 50 40 EFGB C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 12362545 XPYQMAIQELOXEP-MHWRWJLKSA-N 328.284 2.657 50 40 EFGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC)NC(=O)[C@H]1C#N 9329677 OOIMOHSRCPQOOT-WFASDCNBSA-N 327.409 2.927 50 40 EFGB CO[C@@H](C(=O)N/N=C(\C)c1ccc(NC(C)=O)cc1)c1ccccc1 408719862 NNNSTMJEJCWKNN-KOMLCTQHSA-N 339.395 2.873 50 40 EFGB COC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1ccc(OC)c(OC)c1 20528967 QJRCHQMJBWRUOQ-OAHLLOKOSA-N 346.408 2.503 50 40 EFGB Cc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(C)s3)CC2=O)cc1 96504892 FCSKADSAIJEVRM-SAGYFLTASA-N 341.436 2.868 50 40 EFGB COc1ccc([C@@H]2NC(=O)C(C#N)=C(S)N2c2ccccc2)cc1 386027 QLBBOGRCYRCDKI-MRXNPFEDSA-N 337.404 2.995 50 40 EFGB Cc1ccc([C@@H]2C[C@H]2C(=O)NNC(=S)NCc2ccccc2)cc1 374375 ONKXCYLTHNMQFV-DLBZAZTESA-N 339.464 2.794 50 40 EFGB O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc2c(c1)OCO2 8272676 RKRSNGXUZBCOQP-UHFFFAOYSA-N 348.358 2.572 50 40 EFGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(Cl)cc1 59433937 MXGWJGYGGGLNPB-VXLYETTFSA-N 345.786 2.746 50 40 EFGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc2[nH]cnc2c1 13477476 BBXZYGZGKWTRJY-FBCYGCLPSA-N 343.730 2.888 50 40 EFGB CC(=O)Nc1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2)cc1 5495540 RWCRSNINKRZEBF-VXLYETTFSA-N 345.786 2.828 50 40 EFGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1O 6897528 DDNHXCUAONRBFD-MDWZMJQESA-N 338.319 2.645 50 40 EFGB Cc1ccc(C(=O)N/N=C/c2ccccc2OCC(=O)O)cc1Cl 409053171 LSKHHFQPJPGIQS-DJKKODMXSA-N 346.770 2.876 50 40 EFGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc2c(c1)OCO2 5570591 AKROENKTNMFACB-NVNXTCNLSA-N 337.379 2.818 50 40 EFGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)C)c32)cc1OC 34748 KIYGYXUZXZJQGS-CQSZACIVSA-N 340.383 2.768 50 40 EFGB Cc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)c2ccco2)cn1 33294528 PYGCSRAYQZKIPU-MTJSOVHGSA-N 349.346 2.966 50 40 EFGB C[C@H](Oc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1)C(=O)O 59247752 QFMNHAVJJPSLLX-VSMYLPJWSA-N 346.770 2.956 50 40 EFGB COC(=O)/C(CC(=O)C(C)(C)C)=N\NC(=O)c1cccc(Cl)c1 59488936 LFNSWFCEHPXRCK-PDGQHHTCSA-N 338.791 2.604 50 40 EFGB CC(C)CNC(=O)C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 58914336 OUNAVVRRTICLIW-JMIUGGIZSA-N 347.802 2.822 50 40 EFGB COc1ccc(/C(C#N)=C/c2ccc(OCC(N)=O)c(OC)c2)cc1 408582117 LXXOVIZGFBTMLA-OQLLNIDSSA-N 338.363 2.632 50 40 EFGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCC#N)cc2)cc1 193795223 XLVBHZRVRVMYES-ATVHPVEESA-N 347.374 2.821 50 40 EFGB CCCNC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(OC)c(OC)c1 5863802 BRDUZRZXWCJGKL-MDWZMJQESA-N 340.383 2.527 50 40 EFGB O=C(CSc1nc2ccccc2[nH]1)NNC(=O)Nc1ccccc1 192080 YYQZRNYBVKWQBF-UHFFFAOYSA-N 341.396 2.508 50 40 EFGB COc1ccccc1OCCC(=O)NNC(=O)c1cccc(Cl)c1 3327872 JKQIHAJUCVGBFP-UHFFFAOYSA-N 348.786 2.579 50 40 EFGB CCCc1[nH]nc2c1[C@H](c1cc(OC)cc(OC)c1)C(C#N)=C(N)O2 5075344 RMBDFVAOIGVTPD-OAHLLOKOSA-N 340.383 2.598 50 40 EFGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1O 408764253 LVAPDLBKZSIHKP-YBFXNURJSA-N 328.368 2.872 50 40 EFGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1ccccc1F 5955633 HWWYYTAFQRBZQU-RGVLZGJSSA-N 338.342 2.789 50 40 EFGB CCN(CC)c1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1 19204642 LMUKYPGFQCIIQM-UHFFFAOYSA-N 325.441 2.751 50 40 EFGB O=C(Cn1cnc(Cl)c1Cl)N/N=C/c1ccccc1Cl 160921 KMKUXCLANHFXIY-YAXRCOADSA-N 331.590 2.994 50 40 EFGB CCn1cc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)n1 2758558 BDJZAFHGXFNFFT-PBHICJAKSA-N 332.411 2.805 50 40 EFGB CCOc1cc(C=C(C#N)C#N)cc(Cl)c1OCC(=O)N(C)C 13137385 LOQVCPWHVWXFKT-UHFFFAOYSA-N 333.775 2.636 50 40 EFGB NNC(=O)c1ccc2c(c1)CN(c1cccc(Br)c1)C2 408728726 SAZJVUCLSNTHRH-UHFFFAOYSA-N 332.201 2.573 50 40 EFGB COc1cc(OC)c2c(=O)oc(C[C@@H](O)C(Cl)Cl)cc2c1 67903585 MOLWVPJZUNCMGV-SNVBAGLBSA-N 333.167 2.517 50 40 EFGB biogenic,in-vitro CN(C)c1cccc(OCC(=O)N/N=C\c2ccc(Cl)s2)c1 4514388 RHQHRONJDZVQLT-MFOYZWKCSA-N 337.832 2.997 50 40 EFGB Cc1cc(C(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)[nH]n1 248934 GJQHVNVHYSVWCD-RQZCQDPDSA-N 339.311 2.650 50 40 EFGB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@H](C)Br 102805382 WHGSOHNKNMRDEK-WHOFXGATSA-N 337.261 2.913 50 40 EFGB biogenic COc1ccc(Cl)cc1C(=O)NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 104121074 ASSYVGJIICFURG-SRVKXCTJSA-N 336.819 2.936 50 40 EFGB Cc1ccccc1C(=O)N/N=C1/SCC(=O)N1Cc1ccccc1 1223358 RKQDESWSWMOKRU-CZIZESTLSA-N 339.420 2.771 50 40 EFGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(O)cc1 4719036 LTFDLABHVRURKP-RQZCQDPDSA-N 327.365 2.776 50 40 EFGB O=C(NNC(=O)c1cccc2c3c([nH]c12)CCCCC3)c1ccccn1 28095465 ZVBCXNRFSMOBNX-UHFFFAOYSA-N 348.406 2.907 50 40 EFGB Cc1ccc(-c2ncc(C(=O)NNc3ncccn3)s2)c(C)c1 61378338 OWNDVEZBWGVEPG-UHFFFAOYSA-N 325.397 2.974 50 40 EFGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(Br)o1 409238254 MFQCWJXMPQNIKM-PXNMLYILSA-N 325.137 2.874 50 40 EFGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H]([C@H]3C=CCCC3)[C@H]2C1 17143711 BITFYVBSUMUQPK-JCGIZDLHSA-N 333.439 2.621 50 40 EFGB COc1ccccc1C(=O)N/N=C/c1ccc(OC(C)C)cc1O 408590316 OWPQIVDGCRDQSF-YBFXNURJSA-N 328.368 2.952 50 40 EFGB O=C(N/N=C/c1ccccc1OCCBr)c1ccncc1 4575955 MSXNLUWPUOVXJY-WOJGMQOQSA-N 348.200 2.619 50 40 EFGB O=C(N/N=C/c1ccc(Br)s1)c1ccccc1O 112397 PSNHHMRKIZXOLY-VGOFMYFVSA-N 325.187 2.980 50 40 EFGB O=[N+]([O-])c1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2Cl)c([N+](=O)[O-])c1 1598688 GQLQCMKDSNJDKL-MWLCHTKSSA-N 348.764 2.827 50 40 EFGB O=C(NP(=O)(N1CCCC1)N1CCCC1)C(Cl)(Cl)Cl 100747031 RGBZVRFNYGMFKA-UHFFFAOYSA-N 348.598 2.773 50 40 EFGB CC(C)(C)c1cc(C(=O)N/N=C/C=C/c2ccc3c(c2)OCO3)[nH]n1 4113036 QADXGUXNFJHECG-VIEZSYPPSA-N 340.383 2.865 50 40 EFGB CNC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408996969 KUXCPIZNOLRWFF-UXBLZVDNSA-N 330.727 2.951 50 40 EFGB N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)C(N)=O 408807283 BPFRBPNCVJVQNN-CXUHLZMHSA-N 326.359 2.954 50 40 EFGB CCC(=O)Nc1ccc(C(=O)N/N=C(\C)c2ccccc2O)cc1 98087437 NDEGTDKXCATNAT-UDWIEESQSA-N 325.368 2.895 50 40 EFGB N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1ccc(O)cc1 409209874 JPJZECGMVZWEQQ-YRNVUSSQSA-N 325.280 2.552 50 40 EFGB Cc1ccsc1C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C 18102810 QQYXQYWQLYSMPS-ZDUSSCGKSA-N 332.425 2.902 50 40 EFGB CCC[C@H](C)N(NC(C)=O)c1nc(Cl)nc(NC(C)(C)C)n1 4535097 PHRPCRNFRRBYTG-VIFPVBQESA-N 328.848 2.782 50 40 EFGB N#Cc1ccc(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 6684869 SUQYKVBMIUIDJD-WSDLNYQXSA-N 345.358 2.946 50 40 EFGB CC(C)(C)NC(=S)NNC(=O)c1cc2cc(Cl)ccc2o1 8302572 NPNGLAFYXXCMCK-UHFFFAOYSA-N 325.821 2.994 50 40 EFGB N#CC(C#N)=C(C#N)c1sc(N2CCOCC2)nc1-c1ccccc1 59155114 KMJNEBXITVAPMI-UHFFFAOYSA-N 347.403 2.971 50 40 EFGB C=CCc1cc(/C=N/NC(=O)c2ccc(O)cc2)cc(OCC)c1O 408853822 XSTLUEMOEGSMLL-UDWIEESQSA-N 340.379 2.989 50 40 EFGB Cc1cc(/C=C(\C#N)C(N)=S)c(C)n1-c1ccc(C(=O)O)cc1 34798967 YXJDPHSYVXAWLW-RIYZIHGNSA-N 325.393 2.985 50 40 EFGB COCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1 5006591 JOGUZIOMAVXWEP-QGOAFFKASA-N 336.391 2.935 50 40 EFGB CCCCN1C(=O)/C(=N\NC(=O)c2ccccc2O)c2ccccc21 100561407 KQTOAGOSCYOPIO-JZJYNLBNSA-N 337.379 2.673 50 40 EFGB COC(=O)N1CCC(=NNC(=O)c2cc3c(s2)CC[C@H](C)C3)CC1 54872196 BRXYXHQQWZXSDU-NSHDSACASA-N 349.456 2.821 50 40 EFGB CCCOc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1 8108461 JPQSROGYKJILPD-BAOGCXAUSA-N 340.379 2.766 50 40 EFGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc[nH]c2=S)c1C 11510928 ANANXJMKIIPCTJ-LBPRGKRZSA-N 345.424 2.590 50 40 EFGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccccc1F 13921684 INTCIBVYTGWNDZ-DJKKODMXSA-N 349.749 2.577 50 40 EFGB CCc1ccc(CC(=O)N/N=C\c2ccc(OC)c(OC)c2)cc1 409365048 SGXZLNXCQASBLD-MOSHPQCFSA-N 326.396 2.959 50 40 EFGB COc1ccc(/C=C/C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 409075346 YZNYIVRNPDOREY-ATFGCDJJSA-N 326.352 2.573 50 40 EFGB CCN1CC=C2[C@@H](C1)[C@@H](c1ccccc1F)C(C#N)=C(N)C2(C#N)C#N 20026563 VNTXAFWZFKDMMH-QAPCUYQASA-N 347.397 2.571 50 40 EFGB CCc1ccc(/C=N\NC(=O)CSc2nc(C)cc(C)n2)cc1 32701874 VMYHBCGCWKXSIT-ZDLGFXPLSA-N 328.441 2.898 50 40 EFGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=C\c1ccc(-c2ccccc2)o1 13424450 XTQAWSBWUFKTDA-WJDWOHSUSA-N 348.358 2.531 50 40 EFGB C/C(=N/NC(=O)CSc1nc2ccccc2n1C)c1cccnc1 13595577 XNRXRFXOLUQNNI-NDENLUEZSA-N 339.424 2.601 50 40 EFGB CCCC[C@@H](CC(C)(C)O)C(=O)NNC(=S)Nc1ccccc1 1773904 NYAZGVXFQCNYTC-ZDUSSCGKSA-N 337.489 2.972 50 40 EFGB CC(C)c1ccc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)cc1 28632365 JMBKDMVNXBNTLQ-ZNAUYKARSA-N 349.434 2.790 50 40 EFGB CN(C)c1ccc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)cc1 58887105 TYBZTDCBLJHWEV-OFBHVFLISA-N 325.412 2.717 50 40 EFGB N#CC1=C[C@@H](Br)[C@@]23C[C@@]12[C@@H](Br)C=C3C#N 100012738 UIZAZOJTTAAYEA-VLEAKVRGSA-N 325.991 2.817 50 40 EFGB C/C(=N/NC(=O)CSc1nc2ccccc2[nH]1)c1ccc(O)cc1 28349791 YXOVVHIHXXWXFX-JAIQZWGSSA-N 340.408 2.901 50 40 EFGB O=C(N/N=C\c1ccccc1C(F)(F)F)c1cc(O)c(O)c(O)c1 33322741 ZHRRDCOZIVVSJG-GXHLCREISA-N 340.257 2.586 50 40 EFGB Cn1c(=O)oc2cc(N/C=C(\C=O)c3nc4ccccc4o3)ccc21 16363994 GOXPWAYGWXYEIH-PKNBQFBNSA-N 335.319 2.925 50 40 EFGB CSc1nc(C)cc(OCC(=O)N/N=C/C=C/c2ccccc2)n1 5362413 WUDMIXHLCFOXHF-XICJKMHVSA-N 342.424 2.701 50 40 EFGB Cc1ccc(SCC(=O)N/N=C2\C(=O)Nc3ccccc32)cc1 204862 XRPCTRFHTOYYRP-UHFFFAOYSA-N 325.393 2.560 50 40 EFGB Cc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc[nH]1 512478 UNRTYJDKNXLDPS-CAOOACKPSA-N 336.189 2.615 50 40 EFGB Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2C)c(C)n1-c1ccc(F)cc1 12558096 KSOTUKLRAHGKCS-MEBBXXQBSA-N 329.375 2.650 50 40 EFGB CC(C)N1C=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccnc3)[C@@H]2CC1 4730280 MWJMUHAJNOJGGL-QAPCUYQASA-N 344.422 2.563 50 40 EFGB CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)Cn1c(=O)oc3ccccc31)C2 69275267 HZWHLOZBOAUPRV-NTVHJIEQSA-N 341.411 2.913 50 40 EFGB CC(C)(C)OC(=O)N(C[C@H]1CCCN(C(=O)CCl)C1)C1CC1 83318744 PSXCZCBXRJGMOJ-LBPRGKRZSA-N 330.856 2.863 50 40 EFGB CCS(=O)(=O)[C@H](Br)[C@@H](O)c1cccc(Cl)c1 96519078 SRQSZUHDYUWLOX-UWVGGRQHSA-N 327.627 2.529 50 40 EFGB CCOc1ccc(/C=N/NC(=O)COc2ccccc2)cc1OC 43284 QDHNDUCDELYEHV-XDHOZWIPSA-N 328.368 2.623 50 40 EFGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c1 566513 YZRSAMMYDFXZQR-VCHYOVAHSA-N 327.340 2.741 50 40 EFGB CCCCC[C@H](O)CCC(=O)N/N=C/c1ccc(OC)c(OC)c1 2255039 SMUWMDPURWKEDN-SJPXOZHESA-N 336.432 2.875 50 40 EFGB O=C1C[C@@]2(C[C@@H](Cl)N=N2)C(=O)N1c1cccc(Br)c1 4698145 IEXNVYZQRHBDQT-CABZTGNLSA-N 342.580 2.872 50 40 EFGB CO[C@]1(c2ccccc2)C[C@H]1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 4897728 BHMIBLWITDNUHG-ZWILPSFYSA-N 339.351 2.607 50 40 EFGB CCCn1nc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1C 253396133 DEGKZLLBGNPZGP-MRXNPFEDSA-N 326.400 2.725 50 40 EFGB N#CC1=C(N)Oc2[nH]nc(-c3ccncc3)c2[C@@H]1c1ccc(F)cc1 88993 JZHMURMCAXIXQY-CQSZACIVSA-N 333.326 2.829 50 40 EFGB CSCC(=O)NNC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 89995356 NYFNVOKYSNHRJZ-QWRGUYRKSA-N 333.240 2.607 50 40 EFGB Cc1n[nH]c(=O)c(C(=O)NN=C(c2ccccc2)c2ccccc2)c1C 75484259 PJRZBNIMSHCXNK-UHFFFAOYSA-N 346.390 2.569 50 40 EFGB Cc1cccc(O[C@@H](C)C(=O)NN=Cc2ccc3c(c2)OCO3)c1 12462848 PQFYZDDWOCBJBU-ZDUSSCGKSA-N 326.352 2.641 50 40 EFGB CCOC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 6431045 OQEVHPSGICWWLF-UHFFFAOYSA-N 335.187 2.930 50 40 EFGB COc1ccc(CC(=O)N/N=C\c2ccc(N3CCCC3)cc2)cc1 408960338 KZCYEKWAEMVZQV-QNGOZBTKSA-N 337.423 2.988 50 40 EFGB Cc1ccccc1O[C@H](C)C(=O)N/N=C\c1ccc(C(=O)O)cc1 32114665 QSNRVCHTOUJFQQ-LPXFMOJISA-N 326.352 2.611 50 40 EFGB Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1C 286721 VLWUGXTVMWLWGU-XMHGGMMESA-N 348.450 2.898 50 40 EFGB CCOc1ccc(/C=N/NC(=O)COc2cccc(Cl)c2)c(O)c1 3136465 SVPBJUVPNBUIEV-VXLYETTFSA-N 348.786 2.973 50 40 EFGB COc1ccc(/C(C)=N\NC(=O)c2cc(C(C)C)n[nH]2)cc1OC 4094747 RZFTXCWESLHPRE-WQRHYEAKSA-N 330.388 2.704 50 40 EFGB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)[C@H](C)Br 102805377 WHGSOHNKNMRDEK-CORIIIEPSA-N 337.261 2.913 50 40 EFGB biogenic Cc1cc(C)nc(NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)n1 22233213 BBTVJMUBPWMVNO-GFCCVEGCSA-N 334.807 2.966 50 40 EFGB CC1=CC(=O)[C@H](Cl)[C@@H](Cl)/C1=N/S(=O)(=O)c1ccccc1 104052228 GIZIGXWXHHNROK-XUMKSBJFSA-N 332.208 2.560 50 40 EFGB COc1ccc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)cc1OC 58886334 QKFSYLYPIOWORY-UOEVCUDDSA-N 342.395 2.668 50 40 EFGB CC(=O)NNC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 48209288 ISPHIUNVDXUNNP-UHFFFAOYSA-N 346.818 2.576 50 40 EFGB COc1ccc(C/C(C)=N/NC(=O)[C@H]2COc3ccccc3O2)cc1 4863662 XYKZQQXPDOQYLC-JZQBQCRLSA-N 340.379 2.570 50 40 EFGB N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)c1ccc2c(c1)OCO2 44028794 NNJVOWFWSCYRCG-LFYBBSHMSA-N 338.275 2.819 50 40 EFGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(O)c(OC)c2)cc1 193793985 KTPXIWMDTCGECP-DHDCSXOGSA-N 338.363 2.633 50 40 EFGB CCOc1ccccc1C(=O)NNC(=O)COc1cc(C)cc(C)c1 44835 PRHWBQLHDKPEPO-UHFFFAOYSA-N 342.395 2.542 50 40 EFGB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)c1ccccc1 1479730 ZZLSFVLZLJDCHE-GFCCVEGCSA-N 332.787 2.877 50 40 EFGB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)[C@@H]1COc2ccccc2O1 102412281 QBCILAIITWHPQZ-UDYJFEGOSA-N 326.396 2.921 50 40 EFGB COc1ccc(Br)cc1/C=C(\C#N)C(=O)N1CCCC1 3313610 JTFHUZCSOOMDGF-XYOKQWHBSA-N 335.201 2.987 50 40 EFGB CCC(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2)cc1 112864 ZWMHHXBAPHGGNH-MDWZMJQESA-N 337.379 2.510 50 40 EFGB O=C(N/N=C/c1ccc(I)o1)c1cccs1 28474 SUWRDCNRRYSQHN-WUXMJOGZSA-N 346.149 2.710 50 40 EFGB Cc1ccc(OCC(=O)N/N=C(/CCC(=O)O)c2ccccc2)cc1 5171656 VAZLCKCMCWZYBU-JZJYNLBNSA-N 340.379 2.759 50 40 EFGB C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)c1ccc(O)cc1 5363185 URQWHCPWWHIBBS-DEDYPNTBSA-N 325.368 2.835 50 40 EFGB COC(=O)c1ccc(/C=N/NC(=O)COc2cccc(Cl)c2)cc1 58837 KZMXULUYAGSPPW-VXLYETTFSA-N 346.770 2.656 50 40 EFGB CCOc1ccc(/C=N/NC(=O)COc2ccc(C)cc2)c(O)c1 23410933 DYNUIOXXARERMD-YBFXNURJSA-N 328.368 2.628 50 40 EFGB O=C(Cc1ccccc1)OC[C@H](Br)CBr 2045590 UQYYXCYPHYVPFV-SNVBAGLBSA-N 336.023 2.931 50 40 EFGB NNC(=O)c1ccc(OCc2ccc(F)cc2)c(Br)c1 216819392 MHVXZCHOSHDZGK-UHFFFAOYSA-N 339.164 2.771 50 40 EFGB CN1C=CC2=C(C#N)[C@@H](N)C(C#N)(C#N)[C@@H](c3ccccc3Cl)[C@@H]2C1 95405716 ZEHUQTHLSUQWEG-BPQIPLTHSA-N 349.825 2.694 50 40 EFGB CN(C)/N=N/c1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 18115247 QQFXBPGVISSOCW-SQFHHVEOSA-N 340.343 2.919 50 40 EFGB O=C(NNc1nc2cc3c(cc2s1)OCO3)c1cccc(F)c1 4121504 MIGZWIAIZDLICO-UHFFFAOYSA-N 331.328 2.921 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2ccc(C)c(C)c2)cc1OC 59183 VTKNMERFZNTBSG-RGVLZGJSSA-N 342.395 2.850 50 40 EFGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3sccc3C)ccc21 16501845 QLAZOYPYPLCGDX-UHFFFAOYSA-N 342.424 2.809 50 40 EFGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(N)=O 408758161 HBCWYIPEZHLUSM-UKTHLTGXSA-N 326.739 2.951 50 40 EFGB COc1cccc([C@H](O)CNC(=O)[C@@H](Br)C(C)(C)C)c1 96004357 ZICLAZWCSQPVEP-CHWSQXEVSA-N 344.249 2.654 50 40 EFGB CC1(C)N=C(N)N=C(N)N1c1cccc(/C=C(\C#N)c2ccccc2)c1 17040054 BSKYDTKKRYMJJY-LFIBNONCSA-N 344.422 2.936 50 40 EFGB COc1cccc(/C=N/NC(=O)CN2Cc3cc(C)c(C)cc3C2)c1 8336798 IAUQDUOYGONWGP-UFFVCSGVSA-N 337.423 2.778 50 40 EFGB Cc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)o1 353632 OGZORJDEGNOZNL-LZYBPNLTSA-N 337.173 2.880 50 40 EFGB Cn1cccc1C(=O)NN[C@H](C(=O)Nc1ccccc1)c1ccccc1 32853682 SFRBCOFLHBPFBP-SFHVURJKSA-N 348.406 2.640 50 40 EFGB CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(C)c(C)c1 7812018 GWYOOOUPOOSIJS-UDWIEESQSA-N 339.395 2.791 50 40 EFGB N[C@@H](CCCCCP(=O)(c1ccccc1)c1ccccc1)C(=O)O 2316100 GOAPNQZJEWYVEH-SFHVURJKSA-N 345.379 2.973 50 40 EFGB C/C(=N\NC(=O)CNc1ccc(F)cc1)c1ccc2c(c1)OCCO2 408692045 CCQGBFDNQNPMMM-CIAFOILYSA-N 343.358 2.549 50 40 EFGB C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 33388078 PBVQGJIVDMKFAZ-BOPFTXTBSA-N 342.311 2.586 50 40 EFGB CCOC(=O)C1=C2c3ncccc3ON2[C@H](Cl)[C@H](Cl)[C@H]1Cl 245240660 REIFVINDTGDQJR-SBMIAAHKSA-N 349.601 2.759 50 40 EFGB COc1ccc(OC)c(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 5942708 DMZICWGETFRNFH-VCHYOVAHSA-N 343.339 2.684 50 40 EFGB C/C(=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccs1 5381709 GKEGPJXHVIHYDD-RIYZIHGNSA-N 334.313 2.719 50 40 EFGB Cn1c2[n+](c3ccccc31)[C@](C)(CI)CS2 500995 NEZJYNKLGKOYKC-GFCCVEGCSA-N 345.229 2.722 50 40 EFGB CC1CCN(C(=O)c2cccc(NC(=O)CBr)c2)CC1 35605463 QQEIVHPEEKVKBL-UHFFFAOYSA-N 339.233 2.892 50 40 EFGB CCCCC(=O)N/N=C/c1cc2c(cc1Br)OCO2 4150419 CYGBDZOLGRGTMW-VIZOYTHASA-N 327.178 2.818 50 40 EFGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(O)c2)cc1OC 409315807 WFXHVQAXFFDTAN-UNOMPAQXSA-N 326.352 2.730 50 40 EFGB CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 408797418 RULGDLWCSPRJHC-LFIBNONCSA-N 349.390 2.666 50 40 EFGB CCCn1nccc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253408860 YVIOGFUCBBOPIQ-HNNXBMFYSA-N 326.400 2.744 50 40 EFGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cc1ccc2c(c1)OCO2 561546 SXTUFTHBDUWWKI-KEBDBYFISA-N 335.363 2.898 50 40 EFGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1 5567616 IQZRJCKUEPPZMS-CAOOACKPSA-N 328.199 2.502 50 40 EFGB C/C(=N\NC(=O)Cn1nc(C)cc1C)c1ccc(Br)cc1 188721 GCWWKABLNHVOOZ-SFQUDFHCSA-N 349.232 2.803 50 40 EFGB COC(=O)[C@@H]1C(O)=NC(SC)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 189565 OVUVFPKUNJCVCS-RYUDHWBXSA-N 347.352 2.536 50 40 EFGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(OCC(N)=O)cc2)c1 59133331 ARSKQXGAGXXHOH-YBEGLDIGSA-N 349.390 2.713 50 40 EFGB COc1ccccc1OCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 8190180 RPINBJSQLIEZLN-UHFFFAOYSA-N 349.390 2.964 50 40 EFGB COC(=O)/C(CC(=O)C(C)(C)C)=N\NC(=O)c1ccc(Cl)cc1 5187046 JHUFWFUUOIKKPE-PDGQHHTCSA-N 338.791 2.604 50 40 EFGB Cc1cccn2c(=O)c(C=C(C#N)C#N)c(N3CCC(C)CC3)nc12 74357 YEGPODUWLJDVJL-UHFFFAOYSA-N 333.395 2.670 50 40 EFGB Cc1cc2c(c(=O)o1)[C@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 377378 KLAMOEKRNWVHLT-MRXNPFEDSA-N 338.363 2.954 50 40 EFGB COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)cc(OC)c1O 12659948 CXYMTIDRIHWOCU-MDWZMJQESA-N 330.384 2.765 50 40 EFGB O=C(N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 30696496 WNNJAEFWNIGYRY-PXNMLYILSA-N 348.702 2.920 50 40 EFGB Fc1cccc(/N=C2\NC[C@@H](CI)S2)c1 1649988 VIHJPPUTUITVIQ-SECBINFHSA-N 336.173 2.953 50 40 EFGB CC1=C(C)/C(=N/S(=O)(=O)c2ccccc2)[C@@H](Cl)[C@H](Cl)C1=O 101028254 VJLKICUZJPVTAP-HALWSDQMSA-N 346.235 2.950 50 40 EFGB CCOC(=O)c1nc2c(o1)NC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1 125996 OHJKZKBYTWDOQV-NSHDSACASA-N 344.758 2.756 50 40 EFGB O=C(CSCc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1O 20248065 ITYQMMBEGGDLGN-RQZCQDPDSA-N 345.380 2.684 50 40 EFGB Cc1cc(C)nc(NNC(=O)/C=C/c2ccccc2OC(F)F)n1 69520084 IDSQYJUQROAQQZ-BQYQJAHWSA-N 334.326 2.851 50 40 EFGB COc1ccc(OC)c(/C=N/NC(=O)c2ccc(N(C)C)cc2)c1 59107 SNDFINTWGLFFGS-XDHOZWIPSA-N 327.384 2.534 50 40 EFGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cccc(Oc2ccccc2)c1 104496514 QLWCHMUOXSCPCS-LGMDPLHJSA-N 336.347 2.961 50 40 EFGB CCOc1ccc(OCCC(=O)NNC(=O)c2ccc(C)cc2)cc1 3303689 SGHMJQSUBHGFED-UHFFFAOYSA-N 342.395 2.624 50 40 EFGB CN(C(=O)OCc1ccccc1)[C@H]1CC[C@H](NC(=O)CCl)CC1 100177896 HWIRIBHNSRNJAX-GASCZTMLSA-N 338.835 2.921 50 40 EFGB O=C(CCc1ccccc1)NNC(=O)c1ccc2ccccc2c1O 378987 WTNCHNXDCFFPOQ-UHFFFAOYSA-N 334.375 2.939 50 40 EFGB O=C(OCCCl)Oc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1737459 HZDYUFBJVYRBMA-UHFFFAOYSA-N 325.060 2.911 50 40 EFGB O=C(CSCCc1ccccc1)N/N=C/c1ccc(C(=O)O)cc1 408725773 HLZUHUADXSKLMD-XDHOZWIPSA-N 342.420 2.811 50 40 EFGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)o1 581882 TWUYXHQYYZJIRJ-XDHOZWIPSA-N 342.399 2.848 50 40 EFGB C/C(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=N/NC(=O)[C@@H]1CC12CCC2 4587823 PQVDPFLEIKWYQB-KVMVOAJRSA-N 344.371 2.606 50 40 EFGB COC(=O)N[C@H]1c2ccccc2CC[C@H]1I 4887552 FUMDWBGYZTWGQC-MNOVXSKESA-N 331.153 2.834 50 40 EFGB CCN(NC(=O)c1ccc(C)c(S(C)(=O)=O)c1)c1ccc(C)cc1 45007575 IGKFVSHOKPXYFQ-UHFFFAOYSA-N 346.452 2.878 50 40 EFGB COc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c(O)c1 409391650 KKZDMNWODJKRDJ-CAOOACKPSA-N 349.730 2.726 50 40 EFGB O=C(CBr)Nc1cccc(C(=O)NCc2ccccc2)c1 35605471 SFXWAMZEFSHIJV-UHFFFAOYSA-N 347.212 2.950 50 40 EFGB Cc1nc(CC(=O)NNC(=S)Nc2cccc(C)c2C)cs1 7561084 NBPDNOVEVCDZKE-UHFFFAOYSA-N 334.470 2.629 50 40 EFGB COc1ccccc1O[C@@H](C)CNC(=O)/C(C#N)=C\c1ccco1 81098797 CGKMXKYTABQUNU-ODUNQGDFSA-N 326.352 2.779 50 40 EFGB CC(C)(C)C(=O)N/N=C(\CNC(=O)c1ccccc1)c1ccccc1 18191597 PTSLUCADPLZOSO-OQKWZONESA-N 337.423 2.983 50 40 EFGB Cc1cc(/C=N\NC(=O)c2cccc(O)c2)c(C)n1-c1ccccn1 409221268 NSMMAVVMDIPEPJ-MTJSOVHGSA-N 334.379 2.959 50 40 EFGB N#CC(C#N)=C/C=C1\Sc2ccccc2N1CCCS(=O)(=O)O 39440293 ZHYGTZXWLPRFCI-CHHVJCJISA-N 347.421 2.692 50 40 EFGB CN(NC(=O)c1cccnc1)c1ncc(C(F)(F)F)cc1Cl 2561807 GXRANSZKZZWSLE-UHFFFAOYSA-N 330.697 2.930 50 40 EFGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1C(=O)O 59484949 PKBOIWPHKCPJQR-GIJQJNRQSA-N 332.743 2.811 50 40 EFGB O=C(N/N=C/c1coc2ccc(Cl)cc2c1=O)c1ccncc1 3649374 XMDBONHIROJGRV-UFWORHAWSA-N 327.727 2.605 50 40 EFGB N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)NC(N)=O 409248852 RRJDFIPTFWSEKW-ZROIWOOFSA-N 339.326 2.507 50 40 EFGB C=CCOc1ccc(/C=N/NC(=O)CC(=O)NC2CCCCC2)cc1 3057718 PFCJHUPJDNGGLJ-XSFVSMFZSA-N 343.427 2.541 50 40 EFGB O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1ccccc1[N+](=O)[O-] 344871 OOENRNVLDJPOKM-REZTVBANSA-N 347.714 2.741 50 40 EFGB CCCCC[C@@H](O)CCC(=O)NNC(=S)NC1CCCCC1 4828726 MFSKKMUMJKXBIS-CQSZACIVSA-N 329.510 2.536 50 40 EFGB Cc1ccc(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1C 109991383 HJRYZWHZPKKNCZ-VCHYOVAHSA-N 327.340 2.610 50 40 EFGB CCOc1cc(/C=C(/C#N)C(N)=O)ccc1OCc1ccccc1C#N 59437459 CFRRGFMFQOJKPP-MFOYZWKCSA-N 347.374 2.928 50 40 EFGB COc1cc(C)ccc1C(=O)N/N=C/c1cccc(OC(C)=O)c1 408764161 QHMYEUAYVVZSLG-YBFXNURJSA-N 326.352 2.693 50 40 EFGB O=C(CCSc1ccc(F)c(F)c1)NNC(=O)c1ccco1 8238882 PJVUJFCRSCHPCV-UHFFFAOYSA-N 326.324 2.501 50 40 EFGB CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CCSSCC2)C1 89662438 YSNWZQJCPHPUPD-NWDGAFQWSA-N 346.518 2.903 50 40 EFGB C#CCOc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC 409234077 YSDKBNXJHFFFAE-BKUYFWCQSA-N 340.354 2.539 50 40 EFGB O=C(COc1ccccc1)N/N=C/c1ccc(O)c(Br)c1 408526566 DVZMPVVWVWCUOK-RQZCQDPDSA-N 349.184 2.684 50 40 EFGB CC(C)n1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)n1 253403264 PRQDQVZGEYTLLY-OAHLLOKOSA-N 326.400 2.915 50 40 EFGB CC1=CC(=O)[C@H](Cl)[C@@](C)(Cl)/C1=N/S(=O)(=O)c1ccccc1 6229407 OEFOIRDIQFJSAZ-FQEXCURISA-N 346.235 2.950 50 40 EFGB N#C/C(C(=O)N1CCCCCC1)=C1/SCC(=O)N1c1ccccc1 33326282 MAJBDOLXLCDRAT-SDXDJHTJSA-N 341.436 2.904 50 40 EFGB O=C(CCc1ccccc1)NNC(=O)c1ccc(Br)cc1 320036 FQSDSROUGIXNNB-UHFFFAOYSA-N 347.212 2.843 50 40 EFGB N#CC1=C(N)Nc2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1 4311509 OVSNTMIHKLMZPR-OAHLLOKOSA-N 332.323 2.653 50 40 EFGB CCOc1ccc(/C(C)=N/NC(=O)c2ccncc2)cc1[N+](=O)[O-] 409036382 REXQRMZAQOBSBB-WOJGMQOQSA-N 328.328 2.543 50 40 EFGB C#CCOc1cccc(/C=N\NC(=O)Cc2ccc(OCC)cc2)c1 408712031 WRRBNAIIRPODQG-QNGOZBTKSA-N 336.391 2.790 50 40 EFGB CN(C)c1ccc(-n2cccc2/C=N/NC(=O)c2ccncc2)cc1 408954663 UJGDNXJAINITDQ-KGENOOAVSA-N 333.395 2.702 50 40 EFGB Cc1ccc(OCC(=O)N/N=C\c2cc3c(cc2Cl)OCO3)cc1 35406285 NKYNRGLOKZQVKO-UWVJOHFNSA-N 346.770 2.906 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2c(C)cccc2C)cc1O 491569 WPDVGSRGXXMYFJ-VXLYETTFSA-N 328.368 2.547 50 40 EFGB COC(=O)[C@@H]1C(O)=NC(SC)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 189571 OVUVFPKUNJCVCS-NEPJUHHUSA-N 347.352 2.536 50 40 EFGB Cc1nc(C(C)(C)C)nc2sc(C(=O)NNC(=O)C3CC3)c(C)c12 29509461 WPKYIVMWBGQNFH-UHFFFAOYSA-N 346.456 2.777 50 40 EFGB CCOC(=O)/C(C#N)=C1\SS/C(=C(\C#N)C(=O)OCC)S1 1638535 BJEFMLAPLDTDNB-NTLHZVPKSA-N 342.423 2.711 50 40 EFGB CCC[C@H](NC(=O)NNC(=O)Cc1csc(C)n1)c1ccccc1 40068848 PQMNEILXYRZIGB-HNNXBMFYSA-N 346.456 2.866 50 40 EFGB COc1ccc(/C=N/NC(=O)c2ccccn2)cc1Br 232310 JBUVARYTOAYJHL-RQZCQDPDSA-N 334.173 2.617 50 40 EFGB C=CCOc1ccccc1[C@H]1C(C#N)=C(N)OC(C)=C1C(=O)OCC 2062092 XRBNMXHQTNDEPT-KRWDZBQOSA-N 340.379 2.896 50 40 EFGB COc1ccc([C@H]2C(C#N)=C(N)Nc3nc4ccccc4n32)cc1OC 55175195 DVGJGJFQUWOOAS-KRWDZBQOSA-N 347.378 2.762 50 40 EFGB CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c1OCC 5817684 RBJXOLHWHGCGFC-OAHLLOKOSA-N 340.383 2.734 50 40 EFGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1cccs1 408605961 NRWSCHSKECBZOO-LBPRGKRZSA-N 346.437 2.696 50 40 EFGB COc1ccc(S(=O)(=O)/C(C#N)=C\Nc2cccc(OC)c2)cc1 102673298 GQNBBSYPQBGPCJ-ATVHPVEESA-N 344.392 2.955 50 40 EFGB C=CCNC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 2064524 FAMICPCJIHHGIG-UHFFFAOYSA-N 341.436 2.561 50 40 EFGB CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC 7892514 VCMCERWEPWEALD-WOJGMQOQSA-N 343.339 2.766 50 40 EFGB N#CCCn1cc(/C=C(/C#N)C(=O)O)c(-c2ccc(F)c(F)c2)n1 4200319 YBZKOLHOMUUEFO-WDZFZDKYSA-N 328.278 2.734 50 40 EFGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(N)=O)cc2)c(C)c1 408965257 VBUZUTGBHVNNTM-YBEGLDIGSA-N 349.390 2.713 50 40 EFGB O=C(N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1ccncc1 123616 AYBMJIBASSOKLV-XDHOZWIPSA-N 335.323 2.544 50 40 EFGB CC1=C(C#N)[C@](NC(=O)CCC2CCCCC2)(C(F)(F)F)C(=O)N1 6393889 PTQWGUONGNMDTC-OAHLLOKOSA-N 343.349 2.692 50 40 EFGB Cc1nc([N+](=O)[O-])c(SC[C@@H](O)CCl)n1Cc1ccccc1 227190 ZXIUPKJAIQGOLV-LBPRGKRZSA-N 341.820 2.840 50 40 EFGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(N2CCCC2)o1 59138293 XDYWJTBHQKWJIW-XDHOZWIPSA-N 327.384 2.961 50 40 EFGB O=C(CCCc1ccc(O)cc1)N/N=C/c1ccc2c(c1)OCO2 4698786 VZYHYARAIXQEOU-YBFXNURJSA-N 326.352 2.594 50 40 EFGB CCCCN1C(=O)CS/C1=C(\C#N)C(=O)Nc1cccc(OC)c1 15913886 ZQOKJPIBFGWJDO-SAPNQHFASA-N 345.424 2.744 50 40 EFGB COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc([N+](=O)[O-])c1O 409044475 CRSIUBANARKHCP-GDNCOEPRSA-N 347.371 2.585 50 40 EFGB CCn1c(C)cc(/C=N\NC(=O)COc2ccccc2OC)c1C 409064166 CDFGZPFEKIFCSQ-ODLFYWEKSA-N 329.400 2.663 50 40 EFGB COc1cc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)cc(OC)c1OC 409367919 NXFAJGIXGNWZDJ-AWEZNQCLSA-N 345.399 2.890 50 40 EFGB Cc1ccc(-c2nnc(SCC(=O)NN)n2C2CCCCC2)cc1 36724754 GUUQZIYOULCNLT-UHFFFAOYSA-N 345.472 2.841 50 40 EFGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc3c(c2)OCCO3)c1 3476973 LHKLEKGSGURTHZ-RGVLZGJSSA-N 340.379 2.604 50 40 EFGB N[C@@H](CSCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 100498855 HKVBUQQIYTWJDP-HNNXBMFYSA-N 332.381 2.761 50 40 EFGB Cc1ccc(/C=C/C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)o1 6420789 WDCLLSNGPBHCCF-CMDGGOBGSA-N 349.346 2.986 50 40 EFGB CC(=O)[C@H](Br)c1ccc(Cl)c(S(C)(=O)=O)c1 77011474 GDGJVTOCEYPSKP-JTQLQIEISA-N 325.611 2.769 50 40 EFGB Cc1cccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 281987 CHGCUOIKOMJCSY-UHFFFAOYSA-N 333.731 2.631 50 40 EFGB CC(C)Cc1ccc([C@H](C)C(=O)OC(=O)[C@@H](N)CCCCN)cc1 100042840 UDFIJSGWMGUNFK-YOEHRIQHSA-N 334.460 2.515 50 40 EFGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(Br)o1 525168 OBFZKRCGBLUIED-VGOFMYFVSA-N 338.117 2.714 50 40 EFGB Cc1ccc(/C=N/NC(=O)COc2c(C)cc([N+](=O)[O-])cc2C)o1 359846 MYFSFYFWKJEHQW-CAOOACKPSA-N 331.328 2.642 50 40 EFGB Cc1cc(C)c2c(N)c(C(=O)NNC(=O)CC(C)(C)C)sc2n1 12740313 BATUMLUBCUDAMC-UHFFFAOYSA-N 334.445 2.693 50 40 EFGB C[C@@H](Br)[C@@H](O)c1cc2c(cc1Br)OCO2 1622012 ATLHCIZOBPXMBG-GPXNAGAYSA-N 337.995 2.995 50 40 EFGB CCOc1ccc(C(=O)CCC(=O)NNC(=O)c2cccs2)cc1 7653277 SASMUJMDHIOBCU-UHFFFAOYSA-N 346.408 2.571 50 40 EFGB O=C(CSc1ncn[nH]1)NN(c1ccccc1)c1ccccc1 8691995 MAKVENHBKHHIMY-UHFFFAOYSA-N 325.397 2.766 50 40 EFGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccs3)CC2=O)cc1 33285183 CNBGSSMOLCPUGI-VQIMKDEXSA-N 327.409 2.560 50 40 EFGB CCn1ncc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)c1F 252501935 UMBNYFFEEMXMGJ-UUYMMEPTSA-N 334.782 2.949 50 40 EFGB C/C(=N\NC(=O)c1cncc(Br)c1)c1ccccc1O 257472 HUDMJSFZLDNIHA-RQZCQDPDSA-N 334.173 2.704 50 40 EFGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccco1 6472824 HSMAQBLTLJUZRQ-GIDUJCDVSA-N 337.129 2.535 50 40 EFGB CC(C)c1n[nH]c2c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 34761 RHPJZOQKEKJTPZ-GFCCVEGCSA-N 325.328 2.659 50 40 EFGB Cc1cc(O)c(C)c(O)c1/C=N/NC(=O)COc1c(C)cccc1C 60082 LSJCIZHCDPHMLL-AWQFTUOYSA-N 342.395 2.861 50 40 EFGB CCOC(=O)NNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 32909257 RZIJEGFAMMKPJG-UHFFFAOYSA-N 346.770 2.962 50 40 EFGB Cc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 525262 GUUUVBDUZHSXMM-DKSCHZSNSA-N 345.399 2.699 50 40 EFGB COC(=O)N[C@@H]1c2ccccc2CC[C@H]1I 4887551 FUMDWBGYZTWGQC-GHMZBOCLSA-N 331.153 2.834 50 40 EFGB COc1ccc(C(=O)N/N=C(\C)c2nc3ccccc3[nH]2)cc1OC 7675048 PNESVJJJDRKHPX-SRZZPIQSSA-N 338.367 2.734 50 40 EFGB CC(C)=NNC(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 59444743 ASYKZCYZLAKKGG-UHFFFAOYSA-N 325.368 2.716 50 40 EFGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)OCC(=O)NCc1ccco1 3259600 YZRVPXDFKGVVFH-MDWZMJQESA-N 344.754 2.700 50 40 EFGB CCOc1cccc(/C=N\NC(=O)COc2ccc(C)cc2)c1O 32109243 KDZMQTYWRVCIAP-ODLFYWEKSA-N 328.368 2.628 50 40 EFGB Cc1nn([C@H](C)C(=O)N/N=C/c2ccccc2Cl)c(C)c1[N+](=O)[O-] 537126 HBMFKKKMUNWPJD-SXGUVYOMSA-N 349.778 2.773 50 40 EFGB Cc1cccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2F)c1 220160 HBOSOJNNNSTPPT-GIJQJNRQSA-N 331.303 2.571 50 40 EFGB C[C@H](Cl)C(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 20132164 KEWVPTNDOAQMTH-VIFPVBQESA-N 325.821 2.699 50 40 EFGB COC[C@H](OC)[C@H](Cl)C(=O)Nc1ccc(Br)cc1 1593504 POFFKFJTJWAGOY-QWRGUYRKSA-N 336.613 2.656 50 40 EFGB O=S(=O)(N[C@@H]1C2CCC(CC2)[C@H]1Br)c1ccccc1 1643920 QGDAYPKMQFICSL-GVOSGWPFSA-N 344.274 2.917 50 40 EFGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1 408545435 YRRORGZPDNFRPS-WJDWOHSUSA-N 346.342 2.942 50 40 EFGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\c1cccnc1)CO2 32110856 ZKVXGBOQGAZKIG-QREGZJMFSA-N 339.395 2.669 50 40 EFGB COC[C@@H](C)OC(=O)/C(C#N)=C/c1coc2ccc(C)cc2c1=O 2758961 TVOBMKFZGKKXRA-GKWYLQRDSA-N 327.336 2.587 50 40 EFGB CC[C@@H](Br)C(=O)NCCC(=O)Nc1ccc(C)c(C)c1 8733229 QZVMPXVFOJBZPV-CYBMUJFWSA-N 341.249 2.922 50 40 EFGB Cc1c(C(=O)N/N=C/c2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] 59447354 IWSZWCVGJAWCOP-WOJGMQOQSA-N 326.356 2.733 50 40 EFGB CCOC(=O)[C@@](C)(N)CCP(=O)(c1ccccc1)c1ccccc1 53307853 XSNFMVVBBHTHRD-IBGZPJMESA-N 345.379 2.671 50 40 EFGB CCNC(=O)N(C)NC(=O)Nc1ccc(OC(F)F)c(Cl)c1 95945363 DRJSKFUVECPWKQ-UHFFFAOYSA-N 336.726 2.639 50 40 EFGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(\C#N)C(N)=O)o2)c1 408996374 DGQOMQRNHICXBG-UXBLZVDNSA-N 330.727 2.779 50 40 EFGB C/C(=N\NC(=O)COc1c(C)cccc1C)c1cc(O)ccc1O 3659856 QYMATPIZBJENAY-CPNJWEJPSA-N 328.368 2.634 50 40 EFGB COc1cc(NC(=O)C(C)C)c(OC)cc1NC(=O)CCCl 4817485 GQUVEAACYIBPLP-UHFFFAOYSA-N 328.796 2.866 50 40 EFGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@H](C)c1ccccc1 6208699 GWXJOLPALSEKQU-KBPBESRZSA-N 344.386 2.934 50 40 EFGB N#C/C(=C(/C(=O)c1ccc(Cl)cc1)[n+]1ccccc1)[C-](C#N)C#N 104833377 KRCPKCUSNFMSEI-WUKNDPDISA-N 332.750 2.867 50 40 EFGB O=C(C[C@@H]1C=CCC1)NNC(=O)c1ccc(F)cc1Br 48736400 ZOMWWLUBZFPGIE-SECBINFHSA-N 341.180 2.706 50 40 EFGB COc1cccc2cc(C(=O)N/N=C/c3ccc4c(c3)OCO4)oc12 4696369 FTCSHEMEUCQFQQ-DJKKODMXSA-N 338.319 2.934 50 40 EFGB O=C(CBr)Nc1ccccc1C(=O)N1CCCCC1 35604993 BNFFDTGTGKAMIN-UHFFFAOYSA-N 325.206 2.646 50 40 EFGB NCC(=O)N(N)C(c1ccccc1)(c1ccccc1)c1ccccc1 604940261 OFGSFXQNNLYCFS-UHFFFAOYSA-N 331.419 2.640 50 40 EFGB CCOc1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1 582150 KXPVSUWCYGFCEU-XDHOZWIPSA-N 325.368 2.808 50 40 EFGB COc1ccc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@@]23C)cc1[N+](=O)[O-] 4600494 OUKPYGIDMBTLKE-QYGPUGPKSA-N 331.372 2.880 50 40 EFGB COc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCC(N)=O 409391810 JWKDVWGMIUHYKT-AUWJEWJLSA-N 326.327 2.763 50 40 EFGB COc1cccc(/C=N/NC(=O)c2ccccc2N2CCCC2)c1O 1559817 MXGBAOGKXDTMLE-DEDYPNTBSA-N 339.395 2.765 50 40 EFGB COc1cc(/C=N/NC(=O)c2ccco2)cc(Br)c1O 62485 AATAXXUSARPGCX-VIZOYTHASA-N 339.145 2.520 50 40 EFGB COc1cccc(/C=N/NC(=O)CCC(=O)Nc2ccc(F)cc2)c1 1949157 GQSQULCNTVLRMU-UDWIEESQSA-N 343.358 2.703 50 40 EFGB CCC(=O)Nc1ccc(C(=O)NN=C2CCN(C(C)C)CC2)cc1 54961266 BOEHJHSLLRZODC-UHFFFAOYSA-N 330.432 2.625 50 40 EFGB CCOc1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc1 409079261 JBCRGTNTGVTLKU-YBFXNURJSA-N 326.352 2.507 50 40 EFGB C/C(CC(=O)N1CCCC1)=N\NC(=O)c1cc2ccccc2cc1O 13140619 BJTMBQMZDIWGLR-DEDYPNTBSA-N 339.395 2.664 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 13950466 LEINHSILSFUPIJ-WOJGMQOQSA-N 343.339 2.766 50 40 EFGB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 100399274 QHSZZECHINCJSZ-ZDUSSCGKSA-N 340.335 2.862 50 40 EFGB O=C(N/N=C/c1ccc(Br)s1)[C@H](O)c1ccccc1 2729164 NQHZPEDXANJIBT-AZZDOICSSA-N 339.214 2.694 50 40 EFGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(O)cc1 3234657 LITAPIBYRUQTLZ-ZVBGSRNCSA-N 337.301 2.973 50 40 EFGB O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)N1CCCCCC1 59459698 MENDCUPHNQSFAZ-VCHYOVAHSA-N 342.226 2.846 50 40 EFGB COc1cc2c(cc1/C=N/NC(=O)Nc1ccccc1OC)OCO2 409068933 URJQDSLLWZNONP-GIJQJNRQSA-N 343.339 2.588 50 40 EFGB C[C@H]1Cc2cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)ccc2O1 408710657 CSKZMVFEQHWKBZ-TZQXVGBESA-N 325.324 2.682 50 40 EFGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccccc1Oc1ccccc1 104545901 SZTBZLBGTXDMOS-SSZFMOIBSA-N 336.347 2.961 50 40 EFGB Cc1cccc(C[C@H]2CN=C(NNC(=O)c3ccccc3)S2)c1 1780152 QYZFCZQTMGRANQ-INIZCTEOSA-N 325.437 2.944 50 40 EFGB C=CCn1c(C)c(/C=N/NC(=O)CC2(C)OCCO2)c2ccccc21 408954079 MYTDUXAGFRYHFU-DEDYPNTBSA-N 341.411 2.739 50 40 EFGB O=C(N/N=C/c1ccc(I)o1)c1ccccc1 4784662 MFDPVTZLEMHHKG-RIYZIHGNSA-N 340.120 2.648 50 40 EFGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\c1ccccn1)CO2 4860642 JDJGSIZJBSTISP-QREGZJMFSA-N 339.395 2.669 50 40 EFGB CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccc(Cl)cc1 9579609 AYKPHOAZINULIC-LBPRGKRZSA-N 329.183 2.750 50 40 EFGB O=C(NNS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1ccco1 7519764 ZXTQCXGOOBWPTG-UHFFFAOYSA-N 348.424 2.951 50 40 EFGB COc1ccc(OC)c(/C=N\NC(=O)c2ccccc2N(C)C)c1 17022966 OSTLZKSIUDINFN-UNOMPAQXSA-N 327.384 2.534 50 40 EFGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCC#N 111684161 VLHZXFYAFWNWCT-BOPFTXTBSA-N 347.374 2.821 50 40 EFGB CSc1ncc(C(=O)NNC(=O)C2CCCC2)n1-c1ccccc1 47451457 GTEFNWWNRJFJRE-UHFFFAOYSA-N 344.440 2.545 50 40 EFGB Cc1ccc(C(=O)NNC(=O)c2c(C)nn(C(C)(C)C)c2C)s1 62526638 QOSMPBNRCLLSNB-UHFFFAOYSA-N 334.445 2.700 50 40 EFGB O=C(O)COc1ccc(/C=N/NC(=O)c2ccccc2)cc1Cl 4740754 DMKMSJGEIUKIOL-GIJQJNRQSA-N 332.743 2.567 50 40 EFGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\c1ccccn1)CO2 4860644 JDJGSIZJBSTISP-BYINCCNUSA-N 339.395 2.669 50 40 EFGB COc1ccc(-c2nc(C)cc(Nc3ccccc3C(=O)NN)n2)cc1 223466341 OUGTUTQZVMSGMF-UHFFFAOYSA-N 349.394 2.808 50 40 EFGB CCn1ncc(/C=N/NC(=O)c2ccccc2-n2cccc2)c1F 252488972 JDBLJPNWCQGUPA-YBFXNURJSA-N 325.347 2.597 50 40 EFGB Cc1c(/C=N/NC(=O)c2ccc3c(c2)OCO3)c2ccccc2n1C 487280 QUKHLYCZIHMDKT-KEBDBYFISA-N 335.363 2.979 50 40 EFGB Cc1c(C(=O)CBr)sc2nc(C(F)(F)F)nn12 2568759 MLXGNBIZCVTAMO-UHFFFAOYSA-N 328.113 2.696 50 40 EFGB COCCN[P@](=O)(c1ccccc1)c1nc2ccccc2s1 100475471 PKECRIJVRDXCKN-NRFANRHFSA-N 332.365 2.761 50 40 EFGB O=C1O[C@H]2[C@@H]3[C@H]([C@@H](C4CCCCC4)[C@@H]13)[C@H]2I 104066019 BFBGTVKDEVGNES-OHUUWBQVSA-N 332.181 2.788 50 40 EFGB Cc1ccc(C(=O)N/N=C2/C(=O)N(C)c3ccccc32)c(Cl)c1 102600520 ITZJRPVOOAYKOB-XDJHFCHBSA-N 327.771 2.759 50 40 EFGB CC/C(=N\NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(O)cc1O 17071640 FRYYYLDINMXLAT-NBVRZTHBSA-N 343.339 2.859 50 40 EFGB O=C(NNC(=O)c1ccco1)c1ccc(SC(F)(F)F)cc1 17257543 PZECOIGGAIRXKT-UHFFFAOYSA-N 330.287 2.966 50 40 EFGB CC(C)/N=C1/S[C@@H]2CS(=O)(=O)[C@H](Br)[C@@]2(C)S1 17209034 LGLVMTROHNJGDS-OMGSKRNOSA-N 344.321 2.508 50 40 EFGB Cc1cc(C)nc(SCC(=O)N/N=C2/CCc3ccccc32)n1 33504179 ZYXHSLMJTPDPNX-HKWRFOASSA-N 326.425 2.652 50 40 EFGB O=C(CN1CCCc2ccccc21)NNC(=O)c1cc2ccccc2o1 6509704 ZDYFWDOFHHVXCS-UHFFFAOYSA-N 349.390 2.647 50 40 EFGB C/C(=N\NC(=O)CNc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 359443 QCTXZHYVDVHURA-CPNJWEJPSA-N 326.356 2.856 50 40 EFGB COc1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc1[N+](=O)[O-] 105406768 OUKPYGIDMBTLKE-VEVARVDZSA-N 331.372 2.880 50 40 EFGB CC(=O)N1[C@H](c2ccccc2)SC[C@H]1C(=O)NNc1ccccc1 1643132 BLKAUWDHKQFPLR-WMZOPIPTSA-N 341.436 2.792 50 40 EFGB CN(CCC#N)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 3252692 IETGJWRVGHGFNO-IBGZPJMESA-N 346.390 2.960 50 40 EFGB O=C(N/N=C\c1ccc(O)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 408903967 BUXWWIFCWTXFCY-MFOYZWKCSA-N 325.280 2.811 50 40 EFGB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CCCl)CC1 20435721 WSPXOHDSXYSLHC-UHFFFAOYSA-N 337.729 2.974 50 40 EFGB COc1ccnc(NNC(=O)c2cc3ccccc3c3cccnc23)n1 52582113 XOMNRWOONZYFRT-UHFFFAOYSA-N 345.362 2.944 50 40 EFGB O=C(CSc1ccc(Cl)cc1)N/N=C1\C(=O)Nc2ccccc21 7993667 FDNLZHXORXLJSU-UHFFFAOYSA-N 345.811 2.905 50 40 EFGB CN(C)C(=O)/C(C#N)=C\c1cc(Cl)cc(Br)c1O 408844104 BYLKNVPXVXKISD-BAQGIRSFSA-N 329.581 2.803 50 40 EFGB COC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1 408794181 HWCAMNWGGPFBTJ-RVDMUPIBSA-N 336.347 2.784 50 40 EFGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(N)=O)c2)cc1C 409008142 UOGYEPVTPZSGQC-SXGWCWSVSA-N 349.390 2.713 50 40 EFGB COc1cccc(/C(C)=N/NC(=O)CSc2nc(C)cc(C)n2)c1 105028 CGZBNUPTHKIHCQ-DEDYPNTBSA-N 344.440 2.735 50 40 EFGB Cc1c(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc2n1C 13584640 TUSBBMMXOROXIT-POJBONIESA-N 349.390 2.777 50 40 EFGB COc1ccc(OC)c([C@@H]2Nc3nc4ccccc4n3C(N)=C2C#N)c1 20086209 FBNWHHNCRDMUAU-KRWDZBQOSA-N 347.378 2.871 50 40 EFGB Cc1ccc(S(=O)(=O)NNC(=O)Nc2cccc(Cl)c2)cc1 6277257 IQOWAIBUDLJRFG-UHFFFAOYSA-N 339.804 2.663 50 40 EFGB CN(C)c1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1Br 409198790 LAOOVFPXDSYOTI-YRNVUSSQSA-N 334.217 2.701 50 40 EFGB O=C(Cc1cccc2cnccc12)NNc1nc(O)c2ccccc2n1 1641359228 GLKDHNBJLAWGMV-UHFFFAOYSA-N 345.362 2.569 50 40 EFGB O=C(O)COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1 3148165 UGXJPTJJQLHKAQ-GIJQJNRQSA-N 332.743 2.567 50 40 EFGB CCc1sc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 2729730 TXFCWOOKCWKKSY-OVCLIPMQSA-N 348.340 2.891 50 40 EFGB Cc1ccccc1C(=O)N/N=C/c1cn(CCC(N)=O)c2ccccc12 9201192 GLLSNHMQLQWTCF-WSDLNYQXSA-N 348.406 2.589 50 40 EFGB COC(=O)N/N=C/c1ccccc1OCCOc1ccc(OC)cc1 2303304 HNVGWSFMBJIGDZ-CPNJWEJPSA-N 344.367 2.843 50 40 EFGB CC(NC(=O)NNC(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F 2789403 CPKKOTJXLBJMTM-UHFFFAOYSA-N 343.227 2.514 50 40 EFGB COc1ccc(/C(C)=N\NC(=O)CCc2c(C)n[nH]c2C)cc1OC 13646004 ZYTCTFLTUOIOIK-ODLFYWEKSA-N 344.415 2.517 50 40 EFGB CN(C)/N=N/c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 18159317 UXRFVGIGEUXJNY-SQFHHVEOSA-N 340.343 2.919 50 40 EFGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 481933 MBSOHFWCHVPSTH-HNNXBMFYSA-N 333.322 2.885 50 40 EFGB C/C(=N\NC(=O)COc1c(C)cc([N+](=O)[O-])cc1C)c1ccco1 359101 ZVYJYKOTQOCGST-SFQUDFHCSA-N 331.328 2.724 50 40 EFGB O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1cc2ccccc2o1 12363974 BXCALBTUIGFYOD-RQZCQDPDSA-N 325.280 2.811 50 40 EFGB CNc1ccccc1C(=O)NNC(=O)Nc1ccc(SC)cc1 1560671 MDDCWBJAUXSAFK-UHFFFAOYSA-N 330.413 2.917 50 40 EFGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(O)cc1 8812570 MYAKMXGNNJJGQC-RQZCQDPDSA-N 349.184 2.927 50 40 EFGB COc1cc(/C=C(\C#N)c2nc3ccccc3c(=O)[nH]2)cc(OC)c1O 11281991 HZOCYZLQTVVMPJ-KPKJPENVSA-N 349.346 2.710 50 40 EFGB N#C/C(=C/c1ccc(OCC(=O)O)cc1)C(=O)NC1CCCCC1 57395864 VHIAPRIVLZEZAU-UVTDQMKNSA-N 328.368 2.506 50 40 EFGB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)c1ccccc1O 13006227 RHDQHXXYRDKVIP-LLVKDONJSA-N 348.786 2.583 50 40 EFGB COc1ccc(/C=C(\C#N)C(N)=O)c(OCc2cccc(F)c2)c1 408900324 VDNRDIZDYMSPHM-RIYZIHGNSA-N 326.327 2.806 50 40 EFGB CCN(C(=O)CCl)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79392676 XOPFUXGCQQFAKA-OAHLLOKOSA-N 338.835 2.875 50 40 EFGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(CC)cc2)cc1 5477257 FYNHNOOPCGBOKZ-DEDYPNTBSA-N 339.395 2.737 50 40 EFGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(O)c(O)c1 50586 RYXZVDNRMKQUCH-SRZZPIQSSA-N 335.363 2.813 50 40 EFGB Cn1cc(Br)c(C(=O)N/N=C/c2ccccc2Cl)n1 132165 VHFQXTGKVHPIOD-GIDUJCDVSA-N 341.596 2.600 50 40 EFGB O=C(Cl)c1nnc2sc(-c3cccc(Br)c3)nn12 57338957 OIPLIJYJBCGREM-UHFFFAOYSA-N 343.593 2.994 50 40 EFGB COc1cccc(S(=O)(=O)/N=C(O)/C(C#N)=C\c2ccco2)c1 58187060 LYPSRQJVQXMMKV-FLIBITNWSA-N 332.337 2.541 50 40 EFGB CC(C)c1ccc(S(=O)(=O)/C(C#N)=C\Nc2ncccn2)cc1 2561678 GEUYPWKTADPYMN-PTNGSMBKSA-N 328.397 2.851 50 40 EFGB Cc1ccc(OCC(=O)NNC(=O)Cc2ccccc2Cl)cc1C 12907841 BEKCKRZHECWBMU-UHFFFAOYSA-N 346.814 2.726 50 40 EFGB COc1cc(Cl)c(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1OC 408591166 RTAHZYLLLBUFNY-MWJIIQFGSA-N 348.786 2.541 50 40 EFGB Cc1ccc(C(=O)NNC(=O)c2ccccc2-n2cccc2)s1 5423130 UPIOXWYXWICYHP-UHFFFAOYSA-N 325.393 2.922 50 40 EFGB O=C(COc1ccc(Cl)cc1)N/N=C\c1ccc(C(=O)O)cc1 32186321 RDWFBKDCHBKNTL-NVMNQCDNSA-N 332.743 2.567 50 40 EFGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccnc2)C(C#N)=C(N)O1 5482445 BWUSQKASXDDKBT-QGZVFWFLSA-N 332.363 2.802 50 40 EFGB Cc1ccc(C(=O)NNC(=O)CSc2ccccc2F)cc1F 7964382 MBNDMEGBYJHZRL-UHFFFAOYSA-N 336.363 2.827 50 40 EFGB Cc1cc2c(c(=O)n1C)[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 2229497 CBAYGCFGNRKULQ-AWEZNQCLSA-N 327.771 2.565 50 40 EFGB C/C(N)=C(\C#N)C(=O)COC(=O)CSc1ccc2ccccc2c1 103106047 OPRQUXIMMCOZFP-VBKFSLOCSA-N 340.404 2.800 50 40 EFGB O=C(CCN1CCCCC1)N/N=C/c1ccccc1OC(F)F 3206622 FOXJSHRRQGCAGY-XDHOZWIPSA-N 325.359 2.614 50 40 EFGB COc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc1[N+](=O)[O-] 105406763 OUKPYGIDMBTLKE-WWEYPGKVSA-N 331.372 2.880 50 40 EFGB CCOc1cc(/C=N\NC(=O)CNc2ccc(C)c(C)c2)ccc1O 408730793 IQEDCUFZRXXDPX-NHDPSOOVSA-N 341.411 2.970 50 40 EFGB CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)CCl 5957081 BFUQIZALWNPWCD-UHFFFAOYSA-N 344.864 2.817 50 40 EFGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(C)cc1 409366633 XIYAAIPPZGEYCD-XDHOZWIPSA-N 337.335 2.679 50 40 EFGB COc1ccc([C@H]2NC(=O)C(C#N)=C(S)N2c2ccccc2)cc1 386026 QLBBOGRCYRCDKI-INIZCTEOSA-N 337.404 2.995 50 40 EFGB C#CCOc1ccc(/C=N/NC(=O)Cc2ccc(OCC)cc2)cc1 10475947 NLGTYSXDAJNVII-RCCKNPSSSA-N 336.391 2.790 50 40 EFGB N#C/C(=C/c1ccco1)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 71883529 NECSEEYQIQRUKA-UNJUUPHPSA-N 343.333 2.860 50 40 EFGB CN(C)c1cccc(C(=O)N/N=C/c2ccc(Br)o2)c1 409000271 YEUJADRLFHOPNL-CXUHLZMHSA-N 336.189 2.872 50 40 EFGB COc1cccc(/C=N\NC(=O)COc2ccccc2C)c1OC 32186296 VCJGLUQCAKFZMX-ODLFYWEKSA-N 328.368 2.541 50 40 EFGB NNC(=O)c1cn(C(=O)Cc2ccc(Cl)cc2)c2ccccc12 216952250 JNBFKCFEPIBESF-UHFFFAOYSA-N 327.771 2.781 50 40 EFGB CC1(C)[C@@H]2CC=C(/C=N/NC(=O)[C@@H]3COc4ccccc4O3)[C@H]1C2 35610719 QBCILAIITWHPQZ-HWTQHODVSA-N 326.396 2.921 50 40 EFGB Cc1ccc(C(=O)N/N=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)cn1 30750249 NKNFURKOWMBDQI-NDENLUEZSA-N 349.350 2.853 50 40 EFGB CCN(C[C@H]1CCN(C(=O)CCl)C1)C(=O)OCc1ccccc1 79411922 BTXJDVPBEVYMJS-OAHLLOKOSA-N 338.835 2.732 50 40 EFGB C[Si](C)O[Si](O[Si](C)C)(O[Si](C)C)c1ccccc1 195816205 YKSADNUOSVJOAS-UHFFFAOYSA-N 327.657 2.636 50 40 EFGB CCOc1cccc(/C=N/NC(=O)COc2ccccc2C)c1O 3136612 GWNCQXCNPCOSJZ-YBFXNURJSA-N 328.368 2.628 50 40 EFGB COc1cccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 3090200 CFAXCFYPVNMXMF-CGOBSMCZSA-N 346.202 2.978 50 40 EFGB O=C(N/N=C/c1ccc(O)cc1O)c1cccc(Br)c1 5568441 ZTMNXOBESNFGAQ-LZYBPNLTSA-N 335.157 2.624 50 40 EFGB CC(C)Oc1ccc(/C=N/NC(=O)COc2ccccc2)c(O)c1 408531859 OVQLNWLLUFLFID-YBFXNURJSA-N 328.368 2.709 50 40 EFGB C#CCn1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 408569046 YMDPUXYBMWMFKY-NDENLUEZSA-N 346.346 2.947 50 40 EFGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)Cc2ccccc2)cc1 510753 JHUUZYIWTOUPNG-UHFFFAOYSA-N 340.423 2.753 50 40 EFGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc3ccccc3c2)c1 3083925 MCWZGKZKLXYNCG-FYJGNVAPSA-N 347.374 2.937 50 40 EFGB COC(=O)N1[C@@]2(C)C[C@H](Br)[C@H](Br)C[C@]12C 101042688 YTEVIEXXRRVNPO-OFKVWQDRSA-N 341.043 2.907 50 40 EFGB COc1ccc(Cl)cc1C(=O)NNC(=O)CCOc1ccccc1 2629109 FSUPNSBQOZSSND-UHFFFAOYSA-N 348.786 2.579 50 40 EFGB CN1/C(=C(/C#N)C(=O)COC(=O)c2ccco2)Sc2ccccc21 12525012 BJKJNYAKQPYUCB-LFIBNONCSA-N 340.360 2.983 50 40 EFGB Cc1cc(C)n(CC(=O)N/N=C2\C(O)=Nc3ccc(C(C)C)cc32)n1 6686994 SHMGEVWBDHZYMP-UHFFFAOYSA-N 339.399 2.745 50 40 EFGB N#C/C(=C/c1ccc(OCC(N)=O)cc1)c1nc2ccc(F)cc2[nH]1 408570130 RSLKNCDNHBRABS-GHXNOFRVSA-N 336.326 2.630 50 40 EFGB CCc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCCOC)cc1 36646325 BRORZRFCIHDBSN-KRWDZBQOSA-N 342.395 2.520 50 40 EFGB COC(=O)c1ccc(OCC(=O)N/N=C/c2ccccc2Cl)cc1 549182 SDRWETJFTYIGTK-VXLYETTFSA-N 346.770 2.656 50 40 EFGB CCO[C@@H]1c2sc3nc[nH]c(=O)c3c2CC[C@H]1Br 126460 ZNNJIQIYDOTXDM-APPZFPTMSA-N 329.219 2.772 50 40 EFGB CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)N/N=C/c1ccco1 3197244 CDCSQMAEKYJHEA-QUYZQLMHSA-N 327.384 2.574 50 40 EFGB C=CCOC(=O)/C(C#N)=C\c1cc2ccccc2nc1N1CCOCC1 57457620 OBCYYKSLIKDSBO-LGMDPLHJSA-N 349.390 2.708 50 40 EFGB O=C(N/N=C/c1cc(Br)c(O)cc1O)c1cccs1 59197644 GLRMKZDEOMZGSQ-MKMNVTDBSA-N 341.186 2.686 50 40 EFGB CC1CCN(c2cccc(NC(=O)NNC(=O)C3CCC3)c2)CC1 95467126 ZULWQDNHZVJEQU-UHFFFAOYSA-N 330.432 2.876 50 40 EFGB N#C/C(=C\c1ccccc1OCC(=O)O)c1nnc2n1CCCCC2 7158922 RBPQJLJMYOOAFY-GXDHUFHOSA-N 338.367 2.532 50 40 EFGB O=C(NNC(=O)c1ccco1)c1cccc(NC(=O)c2ccccc2)c1 409219869 VYOIVRVJLCBSFW-UHFFFAOYSA-N 349.346 2.607 50 40 EFGB C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1C[C@@H](O)[C@]2(O)C#N 70669869 ZYVHLUFQSVBNFH-RVXCPRFISA-N 329.440 2.744 50 40 EFGB biogenic C[C@H](Oc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1)C(=O)O 5017879 NDVFHVHQMUZBJG-WZMONFQBSA-N 342.395 2.894 50 40 EFGB COc1ccc(O)c(/C=N/NC(=O)c2ccc(Br)cc2)c1 487216 MIQMODODGDRHFK-RQZCQDPDSA-N 349.184 2.927 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)CNc2ccccc2)c(OC)c1 6297457 HERQUQGBVJYLLN-DEDYPNTBSA-N 327.384 2.656 50 40 EFGB O=C(CNc1ccccc1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 43235 NJAAOPVIGXFYKC-GIJQJNRQSA-N 332.747 2.810 50 40 EFGB CC(=O)c1cn(CC(=O)N/N=C2/C[C@H]3CC[C@@]2(C)C3(C)C)nc1C 100668250 JDENYDBBXDZMSR-DDHQNJRCSA-N 330.432 2.713 50 40 EFGB COc1cccc(C(=O)N/N=C/c2ccc(OC3CSC3)cc2)c1 382108 CFFWGZGPXQFWCK-VXLYETTFSA-N 342.420 2.953 50 40 EFGB COc1ccc(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c(OC(C)C)c1 78874273 JGTLNYJKFOBPAO-BAPRJRNISA-N 344.411 2.685 50 40 EFGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(O)cc2O)[C@@H]2CCCC=C12 33374674 JAHTWFDUIDEBRM-CXAGYDPISA-N 332.363 2.691 50 40 EFGB Cc1cccc(O[C@H](C)C(=O)N/N=C/c2ccc(N(C)C)cc2)c1 117895 AGTQVAFLKQXZKB-OOWUWCJESA-N 325.412 2.979 50 40 EFGB CC1(C)[C@H](O)[C@]2(Br)CC[C@]1(CC#N)[C@H]2Br 109275455 SNSPGLYSSKESNT-IFFSRLJSSA-N 337.055 2.978 50 40 EFGB N#CC(C#N)=Cc1cn(CC(=O)NCc2ccco2)c2ccccc12 309243 NZLOKJOIYFMIMA-UHFFFAOYSA-N 330.347 2.981 50 40 EFGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)CCc1ccccc1 4893173 FVCVGLTVTRTCOF-UHFFFAOYSA-N 346.814 2.807 50 40 EFGB O=C(NN=C1C=CC(=NOC(=O)c2ccccc2)C=C1)c1ccncc1 6440892 IEXRNUOPXVMNME-UHFFFAOYSA-N 346.346 2.506 50 40 EFGB O=C(Cc1csc(-c2cccs2)n1)NNC(=O)c1cccs1 2149225 YXYIVAJHFMIIOR-UHFFFAOYSA-N 349.462 2.937 50 40 EFGB CC(C)CNC(=O)CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1 59459589 WEICGAPZHRMOIO-QGMBQPNBSA-N 330.215 2.606 50 40 EFGB Cc1ccc(C)c(NNC(=O)C(=O)NNc2cc(C)ccc2C)c1 2307516 LQJUGEARUBJRTE-UHFFFAOYSA-N 326.400 2.507 50 40 EFGB Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccccc2Cl)cc1 12292652 XRCXEHPGFIAGPX-GFCCVEGCSA-N 332.787 2.877 50 40 EFGB COc1ccc(/C=N\NC(=O)COc2cccc(C)c2C)c(OC)c1 13942098 VYEYJMPJONXZQJ-JAIQZWGSSA-N 342.395 2.850 50 40 EFGB N#C/C(=C/c1ccco1)c1nnc(N2CCOCC2)n1-c1ccccc1 96669529 YLVAACPKQUEMQP-SQFISAMPSA-N 347.378 2.761 50 40 EFGB O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccnc3)o2)cc1 408719376 LWXWSPGAFMLCER-RGVLZGJSSA-N 335.319 2.804 50 40 EFGB COc1ccc(/C(C#N)=C/c2cccc(OCC(N)=O)c2)cc1OC 408583049 RJMXAHKQBBJYEW-OVCLIPMQSA-N 338.363 2.632 50 40 EFGB CC(C)[C@H](C(=O)NNc1ccccn1)[C@@H](C)NC(=O)OC(C)(C)C 496626287 SZMNTWZWJIJUHE-OCCSQVGLSA-N 336.436 2.710 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)[C@@H](OC)c2ccccc2)cc1OC 5288823 KSYKMIOWGLEIBW-ACRNLXFHSA-N 342.395 2.932 50 40 EFGB Oc1ccccc1/C=N/NC1=N[C@@H]2CC[C@H](Br)[C@@H]2S1 5583489 ZTXKTTBSRATLGU-QGWOKUJNSA-N 340.246 2.713 50 40 EFGB CCOc1cccc(/C=N/NC(=O)COc2cc(C)ccc2C)c1O 565591 DIZXEFYVSKTNAP-RGVLZGJSSA-N 342.395 2.937 50 40 EFGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(Cl)cc1 3127127 ZEHKUGOGSDRMKU-YBFXNURJSA-N 345.786 2.828 50 40 EFGB Cc1ccc(N[C@@H](C)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 36046207 JGISAJGBGGELBM-NNLQFVHNSA-N 342.355 2.560 50 40 EFGB COC(=O)Cn1cc(/C=N/NC(=O)c2ccccc2C)c2ccccc21 9202502 ACTHWMJNOPBPNF-SRZZPIQSSA-N 349.390 2.887 50 40 EFGB Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2)cc1 2133920 HFDBHQAHOLCPPQ-UHFFFAOYSA-N 347.827 2.598 50 40 EFGB aggregator COc1cc(/C=C(\C#N)C(=O)NC(C)C)cc(Br)c1O 3570618 VBHNSMYHJMFPQO-ONNFQVAWSA-N 339.189 2.595 50 40 EFGB COc1ccc(C(=O)N/N=C(\C)c2ccc(OC)cc2OC)cc1 5370319 ATDSFGAXUKUOFH-XDHOZWIPSA-N 328.368 2.866 50 40 EFGB C[C@H]1CN(c2ccc(C(=O)NNc3ccc(F)cc3)cn2)C[C@H](C)O1 47528054 IFRVVKKIAYTDMI-STQMWFEESA-N 344.390 2.591 50 40 EFGB CCCc1[nH]nc2c1[C@H](c1cc(OC)ccc1F)C(C#N)=C(N)O2 6499322 PXAHVWVNRPPMBT-CQSZACIVSA-N 328.347 2.728 50 40 EFGB CCCNC(=O)N/N=C/C1=Cc2cc(Br)ccc2OC1 65998421 MOBQLTDTEAMWGP-CAOOACKPSA-N 338.205 2.920 50 40 EFGB C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)c2cccc(O)c2)o1 84688932 SETOCIGDGQRTFG-IAQYHMDHSA-N 328.368 2.502 50 40 EFGB COc1ccc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc1[N+](=O)[O-] 408980039 TWSUJQGPFQWPIW-NTUHNPAUSA-N 326.312 2.664 50 40 EFGB O=C(Cc1ccc(Br)cc1)N/N=C\c1ccc(O)c(O)c1 37020498 WTDLRGLMZNIUTO-MFOYZWKCSA-N 349.184 2.553 50 40 EFGB CN(C(=O)CCl)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 79392662 RKVBHPCFXVMRBC-HUUCEWRRSA-N 338.835 2.921 50 40 EFGB Cc1ccc(SCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 40961810 WCOIDVIKSRQLDP-GIJQJNRQSA-N 328.393 2.966 50 40 EFGB NC1=C(c2nc3ccccc3[nH]2)C(=O)[C@H](Cl)N1c1cccc(O)c1 82237998 VUPNVVOJVAKOMI-OAHLLOKOSA-N 340.770 2.550 50 40 EFGB Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3ccncc3)c2)n1 130421 OIJKFUBXUFAFFH-CIAFOILYSA-N 333.395 2.707 50 40 EFGB COc1cc(C(=O)N/N=C/c2ccc(C)s2)cc(OC)c1OC 368611 RSPHPHYXXXRDDV-RQZCQDPDSA-N 334.397 2.846 50 40 EFGB CCN(NC(=O)CCS(=O)(=O)C1CCCC1)c1ccc(C)cc1 45007601 NXJTZCNNJMVFPF-UHFFFAOYSA-N 338.473 2.600 50 40 EFGB COc1ccc(Cl)cc1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-] 108000668 BFCJQLBYYXWIMC-ZDLGFXPLSA-N 347.758 2.950 50 40 EFGB C[C@]12CO[C@@]3(C(=O)NNc4ccc([N+](=O)[O-])cc4)C[C@H]1CC[C@]32C 100924535 JXPWGQRXSSSLGE-PWBULWKKSA-N 331.372 2.633 50 40 EFGB C=CCNC(=O)CC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 58914825 LYJPJAGRXIWJOB-RGVLZGJSSA-N 345.786 2.742 50 40 EFGB COc1cccc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)c1OC 409382593 UOLSZMYXXWMHAJ-GDNBJRDFSA-N 325.368 2.799 50 40 EFGB N#CC1=C[C@@H](Br)[C@@]23C[C@]12[C@@H](Br)C=C3C#N 100012734 UIZAZOJTTAAYEA-DTIDVZRVSA-N 325.991 2.817 50 40 EFGB COC(=O)c1cccc(-c2ccc(/C=N\NC(=O)c3cccnc3)o2)c1 408868439 OTXMYANPFGXXDT-MTJSOVHGSA-N 349.346 2.892 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2C)c(O)c1 359294 IXAKFABAKQEJOZ-DJKKODMXSA-N 348.786 2.892 50 40 EFGB CCOc1ccc(OCC)c(C2C(C#N)=C(N)SC(N)=C2C#N)c1 2865233 GWPIUNSAPKASSU-UHFFFAOYSA-N 342.424 2.702 50 40 EFGB CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc1 59519733 MGCUXQTXCPVJNT-DEDYPNTBSA-N 329.444 2.883 50 40 EFGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc(C(=O)O)cc1 59333764 UVEAIVRTRPQVQN-YBEGLDIGSA-N 337.379 2.788 50 40 EFGB CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)cc([N+](=O)[O-])c1O 408950794 HPVUWRTVJLYNJL-ZDLGFXPLSA-N 343.339 2.771 50 40 EFGB NNC(=O)c1cc(Br)ccc1OCc1ccc(F)cc1 226319258 GKSRTGRIZPTZKB-UHFFFAOYSA-N 339.164 2.771 50 40 EFGB COc1ccccc1N[C@H]1SC(=O)N(CCBr)C1=O 12113029 UTUIKDBQHLIADQ-JTQLQIEISA-N 345.218 2.524 50 40 EFGB O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c([N+](=O)[O-])c1 16428652 MWEWXKGMQAYZGJ-UHFFFAOYSA-N 336.691 2.913 50 40 EFGB O=C(NNc1ccccc1[N+](=O)[O-])C1(c2ccccc2)CCOCC1 42015904 RQTLANADGSEHDJ-UHFFFAOYSA-N 341.367 2.786 50 40 EFGB C/C(=N/NC(=O)c1cc(C)nc2c1c(C)nn2C)c1ccc(F)cc1 17071090 VDCKJFCMFRPGRY-NHDPSOOVSA-N 339.374 2.878 50 40 EFGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)c1cccc(F)c1 408742409 WKSVHEVLBIMFST-MBTVCVBTSA-N 338.342 2.580 50 40 EFGB N#C/C(=C/c1cc(Cl)cc([N+](=O)[O-])c1O)C(=O)NC1CCCC1 409189470 PIYWACWFQSZFFK-YHYXMXQVSA-N 335.747 2.920 50 40 EFGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(C)=O)c2C)c(C)c1 408932791 FAHGLTKBEBMOCL-VXLYETTFSA-N 327.384 2.659 50 40 EFGB CCC(=O)NNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 409000061 DNVBENMDGDSWAU-UHFFFAOYSA-N 345.786 2.763 50 40 EFGB C/C(=N\NC(=O)CN1CCCCC1)c1ccc(Br)cc1 5282439 VLKJQHFPTPXQQN-SFQUDFHCSA-N 338.249 2.775 50 40 EFGB COc1cc(C(=O)N/N=C(/C)c2ccccc2O)cc(OC)c1OC 101470758 DSNBIYRZLWYLOG-ODLFYWEKSA-N 344.367 2.572 50 40 EFGB CCOC(=O)NNC(=O)c1sc2nc(C3CC3)nc(C)c2c1C 29559824 WRKALTRQINATJZ-UHFFFAOYSA-N 334.401 2.576 50 40 EFGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cccc(Cn2cccn2)c1 131522 WZXJXVBKNRUIKB-XDHOZWIPSA-N 349.350 2.604 50 40 EFGB CC1(CC(=O)N/N=C/c2ccccc2OCC#N)SCCS1 6348166 LNMAYMFAUMEHRR-GZTJUZNOSA-N 335.454 2.625 50 40 EFGB C/C(=N\NC(=O)[C@H]1CCCO1)c1c(C)nn(-c2ccccc2)c1C 98055563 PLRVOWDSMSSJTP-PUMYGXPMSA-N 326.400 2.508 50 40 EFGB Cc1ccc(C(=O)n2cc(C(=O)NN)c3ccccc32)cc1Cl 216955246 CCIYQYQAXWRKGG-UHFFFAOYSA-N 327.771 2.895 50 40 EFGB Cn1cccc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl 137841 HPZBAZXXAWCNDT-CAOOACKPSA-N 326.183 2.861 50 40 EFGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2O)cc1 580154 KLFIMYWRNHKVQK-GIJQJNRQSA-N 331.759 2.768 50 40 EFGB O=C(N/N=C\C=C/c1ccccc1)C(=O)N/N=C\C=C\c1ccccc1 17313729 HIRBYBFHMTYBOX-SQUBLAMJSA-N 346.390 2.617 50 40 EFGB Cc1ccc2nc3c(c(C(=O)NNc4ncccn4)c2c1)CCCC3 44716918 UEQQRJBBBDRRQF-UHFFFAOYSA-N 333.395 2.969 50 40 EFGB CCSc1oc(C)cc1[C@H]1C(C#N)=C(N)OC(C)=C1C(=O)OC 2752027 QQRRIVORYCDSKY-ZDUSSCGKSA-N 334.397 2.955 50 40 EFGB O=C(O)c1ccc(-n2cccc2/C=N\NC(=O)c2cccc(O)c2)cc1 409227146 PLCWOSDADJEIJQ-NDENLUEZSA-N 349.346 2.645 50 40 EFGB C[C@@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)[C@H]1CC=CCC1 8984372 YOCRLSGLKBGOGE-NEPJUHHUSA-N 344.440 2.600 50 40 EFGB CN(C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)CCl 79392654 YAOHDXNNKFCZNZ-OAHLLOKOSA-N 338.835 2.732 50 40 EFGB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/NNC(=O)c1ccccc1 100989415 JSUOELIMPLNAQH-SFQUDFHCSA-N 334.379 2.536 50 40 EFGB O=C(N/N=C/c1ccccn1)c1ccccc1/N=C/c1ccccn1 353861 QDNBOOYYDWOVLV-MSKUYSOUSA-N 329.363 2.991 50 40 EFGB O=C(CC(=O)Nc1ccc(Cl)cc1)N/N=C\c1cccc(F)c1 32929271 QZSRZRWREXJJRT-GRSHGNNSSA-N 333.750 2.958 50 40 EFGB CCOc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OC 409194323 AOENVQPWYZAMFV-REIAIGDLSA-N 337.379 2.851 50 40 EFGB COc1cc(N2CCCC2)c(OC)cc1/C=N\NC(=O)c1ccco1 409108518 WKXKBTNQGUZQFH-UNOMPAQXSA-N 343.383 2.661 50 40 EFGB CSC1=C(C#N)C2(CCCCC2)C(C#N)=C(NC(=O)CCl)N1 20268243 SSTPSRMJHUQQQI-UHFFFAOYSA-N 336.848 2.728 50 40 EFGB Cc1ccc(OCC(=O)n2c(C)c(C(=O)NN)c3ccccc32)cc1 216723276 UQOBSXLWTDHJJF-UHFFFAOYSA-N 337.379 2.581 50 40 EFGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(C)cc1O 20100779 XORXWKALXOMKKK-YBFXNURJSA-N 328.368 2.628 50 40 EFGB Cc1cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)cc(C)c1O 109248664 PIGZJGPPXDHRDO-JAIQZWGSSA-N 341.411 2.604 50 40 EFGB COc1ccc([C@@H](NC(=O)NNC(=O)c2cccs2)C2CC2)cc1 14135731 DZUIEHNCNKWRCC-HNNXBMFYSA-N 345.424 2.852 50 40 EFGB COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)c(OC)c1C 409246652 KFMNJJRRPPKHFM-JAIQZWGSSA-N 330.359 2.844 50 40 EFGB Cc1ccc(C(=O)n2cc(C(=O)NN)c3ccccc32)c(Cl)c1 225690391 YMOZMLRXDYESDE-UHFFFAOYSA-N 327.771 2.895 50 40 EFGB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)Cl)ccc1C 3886387 MAQHTOOGZOBAGB-NSHDSACASA-N 332.853 2.591 50 40 EFGB Cc1c(C)c(C)c(S(=O)(=O)NNC(=O)CC(C)C)c(C)c1C 7386760 RANFGHXXFUTFIF-UHFFFAOYSA-N 326.462 2.584 50 40 EFGB BrC/C(=N\n1cnnc1)c1ccc(Br)cc1 227149401 KNXPTCKEDXRMGA-XNTDXEJSSA-N 344.010 2.688 50 40 EFGB Cn1cccc1-c1cc(C(=O)N/N=C/c2c[nH]c3ccccc23)[nH]n1 54124 AOJLJGAELONBIF-RGVLZGJSSA-N 332.367 2.660 50 40 EFGB Cc1ccc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)c1 64451 QHMKIXUOAUYQTO-MOPGFXCFSA-N 343.434 2.659 50 40 EFGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(Cl)cc1 3186248 YIQHJIRAMJGWFO-RQZCQDPDSA-N 333.731 2.777 50 40 EFGB Cc1cc2c(c(=O)n1C1CC1)[C@H](c1ccccc1F)C(C#N)=C(N)O2 2237859 REVDMHYUAYOUMV-MRXNPFEDSA-N 337.354 2.849 50 40 EFGB Cc1sc(/C=N/NC(=O)Cc2cccnc2)cc1Br 137888 NQAFKKIEZPRLEL-LZYBPNLTSA-N 338.230 2.907 50 40 EFGB CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1O 59187 OPQDSYNUDSIJST-RGVLZGJSSA-N 342.395 2.937 50 40 EFGB COc1ccccc1C(=O)NNc1nc2ccc([N+](=O)[O-])cc2s1 59417517 JSUJBZHTZUJLKI-UHFFFAOYSA-N 344.352 2.970 50 40 EFGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccn1C 409103535 CGRBBSCQAYGUDX-CXUHLZMHSA-N 336.189 2.560 50 40 EFGB COC(=O)/C(C#N)=C\c1cc(Br)c(OC)cc1OC 46279 KWIYLNONOVZADQ-WTKPLQERSA-N 326.146 2.546 50 40 EFGB CCOc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1OC 3474894 NIKPMSNNQSCFFQ-VXLYETTFSA-N 342.351 2.587 50 40 EFGB C/C(=N\NC(=O)COc1cc(C)cc(C)c1)c1ccc(O)cc1O 8182183 POVWCEJJSJKGIA-CPNJWEJPSA-N 328.368 2.634 50 40 EFGB C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 100182291 HHSZRCQDGVWDNM-NOWLMZNUSA-N 345.355 2.600 50 40 EFGB CCn1c(C)cc2c(c1=O)[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2 2363840 CESOEVQFJBTVDR-HNNXBMFYSA-N 325.343 2.534 50 40 EFGB O=C(/C=C/c1ccc2c(c1)OCO2)NNC(=O)c1cccc(Cl)c1 7795427 DGVYYBCQFKWCBY-FNORWQNLSA-N 344.754 2.543 50 40 EFGB O=C(NNC(=O)c1cccc(Cl)c1)Nc1ccc2c(c1)OCCO2 7986535 LHNFMQSOTAMLKU-UHFFFAOYSA-N 347.758 2.578 50 40 EFGB CC(C)/C=C(\C#N)C(=O)N1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 585289987 PJEZAFOQJXQORC-TYBQKPPPSA-N 328.412 2.523 50 40 EFGB COc1ccc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 5684537 VPHROJLMYIJDGK-VCHYOVAHSA-N 343.339 2.684 50 40 EFGB COc1cc(/C=N/NC(=O)c2ccccc2C)cc(OC)c1OC 62495 MBLANEZHJNCMCC-YBFXNURJSA-N 328.368 2.785 50 40 EFGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1cccc(O)c1 101588098 YYOOLLBVAQZBIO-OAHLLOKOSA-N 344.326 2.533 50 40 EFGB Cc1nnc(SCC(=O)N/N=C/c2c[nH]c3ccccc23)s1 510280 BWTYILCGWKEBHH-FRKPEAEDSA-N 331.426 2.570 50 40 EFGB O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1cccs1 320259 JZCBTUKXYCJIRS-UHFFFAOYSA-N 345.207 2.895 50 40 EFGB CCOc1ccc(CC(=O)N/N=C\c2ccc(N(C)C)cc2)cc1 408711899 PSTZKKXFCVVJSM-ZHZULCJRSA-N 325.412 2.844 50 40 EFGB COC(=O)c1ccc(OC(C)C)c(NC(=O)CBr)c1 72226449 SUYFNIXPRFDRRO-UHFFFAOYSA-N 330.178 2.594 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2)c(OC)c1 354589 GLZSZRLRFTWNGT-YBFXNURJSA-N 328.368 2.541 50 40 EFGB CC(=O)N/N=C/c1cccc(OCc2nc3ccccc3nc2C)c1 16265433 GDOABYWDZDQFOX-RGVLZGJSSA-N 334.379 2.987 50 40 EFGB CCCCOc1ccc(/C=N/NC(=O)c2sc(N)nc2C)cc1 1768098 UNFGPQDPQVYSHH-VCHYOVAHSA-N 332.429 2.977 50 40 EFGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 5003828 GWLZVVUTFQVENI-MHWRWJLKSA-N 328.284 2.657 50 40 EFGB CCOC(=O)C1=C(C)NC(=C(C#N)C#N)[C@H](C#N)[C@@H]1c1ccc(C)cc1 85409470 JTATXROTGXINLB-AEFFLSMTSA-N 346.390 2.960 50 40 EFGB COc1ccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCSC[C@@H]32)cc1 377688 BHDAXIWUFDUKEG-DOTOQJQBSA-N 348.431 2.852 50 40 EFGB COC(=O)c1ccc(N/C=C(/C#N)C(=O)NCc2ccccc2)cc1 102712072 RJCAPEAQWIWHOP-SSZFMOIBSA-N 335.363 2.609 50 40 EFGB COc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)c1OC 59447387 KGDVADALVNAXKE-VCHYOVAHSA-N 343.339 2.684 50 40 EFGB COc1cc(/C=N/NC(=O)CCC(=O)NC2CCCCC2)ccc1C 3663497 QQEYEOLKRQVJCN-DEDYPNTBSA-N 345.443 2.683 50 40 EFGB O=C(CSc1ccc2ccccc2n1)NNC(=O)c1cccs1 4623815 XBKCNBNEDFOQCR-UHFFFAOYSA-N 343.433 2.850 50 40 EFGB Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)C3CCCCC3)cc2)n1 6786799 LMQIMJFEALVFTD-UHFFFAOYSA-N 340.427 2.830 50 40 EFGB Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cccc(F)c1 409075893 VBYJWNATFLUDMY-FYJGNVAPSA-N 341.386 2.735 50 40 EFGB O=C(CCl)Nc1ccnn1Cc1ccccc1Br 95863143 DUBSPRQZQBYFNL-UHFFFAOYSA-N 328.597 2.871 50 40 EFGB Cc1ccc(-n2nnnc2/C=C/N(CCCl)CCCl)cc1 95676280 LWVMHUUIXPCAIO-RMKNXTFCSA-N 326.231 2.721 50 40 EFGB O=C(NNC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccncc1 17071188 TYBXWNYJYTZBGU-UHFFFAOYSA-N 340.330 2.732 50 40 EFGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1 8783660 FCHAMVWMYBGRNN-GOSISDBHSA-N 349.390 2.757 50 40 EFGB O=C(Cl)c1ccc(N2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 1736290 KEZAHBFAAVPDHP-UHFFFAOYSA-N 330.683 2.774 50 40 EFGB COc1ccc([C@H](Br)[C@H](Br)C(=O)O)cc1 2577535 MWJORQFVICKTJV-IUCAKERBSA-N 337.995 2.979 50 40 EFGB in-vitro Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1ccncc1 6571365 NKVRTHBYPACNJP-CIAFOILYSA-N 326.375 2.893 50 40 EFGB C=C(C)c1cccc(C(C)(C)NC(=O)NNC(=O)c2cccnc2)c1 3231505 YLFCMISJFFSLIR-UHFFFAOYSA-N 338.411 2.994 50 40 EFGB Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)c1cccs1 5272712 MOWXDQDUTIWUMC-UHFFFAOYSA-N 327.365 2.786 50 40 EFGB CCc1ccc(OCC(=O)n2cc(C(=O)NN)c3ccccc32)cc1 216723142 XPMMEBKTBQQNKN-UHFFFAOYSA-N 337.379 2.526 50 40 EFGB COc1ccc(/C=C/C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 409075859 UTALFHFOEHDOQI-BUJDNCMTSA-N 325.324 2.767 50 40 EFGB Cc1ccc(OCC(=O)NN=C(CCC(=O)O)c2ccccc2)cc1 245204326 VAZLCKCMCWZYBU-UHFFFAOYSA-N 340.379 2.759 50 40 EFGB N#C/C(=C/c1cccc(O)c1)C(=O)N1CCN(c2ccccc2)CC1 255493448 ACFGZTLNXBYRHW-LGMDPLHJSA-N 333.391 2.648 50 40 EFGB COc1ccc(C(=O)[C@@H](Cl)[C@H](SCCCl)C(=O)O)cc1 5513623 LJFLRVNETZRAHB-PWSUYJOCSA-N 337.224 2.911 50 40 EFGB COc1ccc(S(=O)(=O)/C(C#N)=C/Nc2cccc(OC)c2)cc1 17992560 GQNBBSYPQBGPCJ-SFQUDFHCSA-N 344.392 2.955 50 40 EFGB CC(C)(O)C(=O)N/N=C\c1cccc(OC/C=C/c2ccccc2)c1 32578406 SGWNKDBYUKCMON-KWMPQKOASA-N 338.407 3.000 50 40 EFGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1O 59334710 MAGUWMLPAKYPKW-YHYXMXQVSA-N 339.189 2.549 50 40 EFGB COc1ccc(C(=O)NN/C(C)=C/C(=O)c2ccccc2)cc1OC 409054262 IOIMDFGHJVFGDI-ACCUITESSA-N 340.379 2.725 50 40 EFGB CC(C)(C)c1ccccc1OCC(=O)NNC(=O)c1ccc(F)cc1 14244783 QJVDOHLPIVAQRB-UHFFFAOYSA-N 344.386 2.963 50 40 EFGB O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1ccc(O)cc1 409063398 BEHOFJQACOTAFC-UDWIEESQSA-N 327.359 2.895 50 40 EFGB Cc1ccc(S[C@H](C)C(=O)NN=C2C(=O)Nc3ccccc32)cc1 409138717 HATSVIAJPWCUNK-GFCCVEGCSA-N 339.420 2.948 50 40 EFGB CO[C@H](C(=O)N/N=C/c1ccc(Br)o1)c1ccccc1 409002708 WJMPHWCZFKRBOS-WFSQQTBHSA-N 337.173 2.880 50 40 EFGB CC1(C)COc2ccc(/C=N/NC(=O)c3cccnc3)cc2OC1 225370917 GGLQCUHPRJMWGJ-AWQFTUOYSA-N 325.368 2.643 50 40 EFGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1ccccc1F 20086678 FAYZXPFLMQBXPF-OAHLLOKOSA-N 346.317 2.967 50 40 EFGB Cc1ncsc1C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 104636903 ZVSJHYUIXJMAHH-WDEREUQCSA-N 335.816 2.670 50 40 EFGB Cc1cc2c(c(=O)n1C)[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 2357705 VZURMBAPKNUGLM-AWEZNQCLSA-N 327.771 2.565 50 40 EFGB CC(C)CN1C(=O)/C(=N\NC(=O)c2ccc(O)cc2)c2ccccc21 3574572 BJLPVXCETZZIDT-JZJYNLBNSA-N 337.379 2.529 50 40 EFGB COc1ccc(-c2ccc(/C=C(/C#N)C(=O)N3CCOCC3)o2)cc1 13763773 PWBRIBRNZHZRJL-QINSGFPZSA-N 338.363 2.721 50 40 EFGB C/C(CCc1ccccc1)=N/NC(=O)C(=O)N[C@H](C)c1ccccc1 4481973 CFFXCPKJNPUSFO-GRVPHDJPSA-N 337.423 2.989 50 40 EFGB C/C(Cn1nnc2ccccc21)=N\NC(=O)c1c[nH]c2ccccc12 12362433 UQSXUYAYYBGLIX-UDWIEESQSA-N 332.367 2.719 50 40 EFGB C/C(=N/NC(=O)c1cc(-c2cccs2)n[nH]1)c1ccccc1O 100914030 NPBDANNRNRJDFS-YVLHZVERSA-N 326.381 2.998 50 40 EFGB Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1ccccn1 33703365 MWRZIZLMWDJRPU-CIAFOILYSA-N 326.375 2.893 50 40 EFGB CCn1ncc(C)c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253402175 NZWLJTIVNBSSCT-CQSZACIVSA-N 326.400 2.662 50 40 EFGB CC(/C=C/c1ccco1)=N\NC(=O)COc1cccc([N+](=O)[O-])c1 5007210 YUSGXDIZYWZLIL-VGMCZUJFSA-N 329.312 2.772 50 40 EFGB Cc1cccn2c(=O)c(C=C(C#N)C#N)c(N3C[C@@H](C)C[C@H](C)C3)nc12 74362 DBCFRHLCCWNANZ-KBPBESRZSA-N 347.422 2.916 50 40 EFGB Cc1ccc(OCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1C 221166 OETDLQMHCBOCER-UDWIEESQSA-N 325.412 2.899 50 40 EFGB Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCOc3ccccc32)s1 108884706 HCEFSTBRILXADC-GFCCVEGCSA-N 345.424 2.567 50 40 EFGB COC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1ccc(OC)c(OC)c1 20528965 QJRCHQMJBWRUOQ-HNNXBMFYSA-N 346.408 2.503 50 40 EFGB CN(C)c1nc(N)nc(/C(C#N)=C/c2csc(-c3ccccc3)n2)n1 8937649 ASRHIITVCZNSAD-XYOKQWHBSA-N 349.423 2.707 50 40 EFGB COC(=O)c1cccc(/C=C(\C#N)C(=O)NCCc2ccccc2)c1 408972704 VAESPRBDLVMBLZ-QGOAFFKASA-N 334.375 2.739 50 40 EFGB CCOc1ccc(CC(=O)N/N=C\c2ccc(OC)c(OC)c2)cc1 408711927 QXLMWACHFXKOFK-MOSHPQCFSA-N 342.395 2.795 50 40 EFGB COc1ccc(/C=N\NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 32115664 RPFZNEKAAGBRFP-IOXNKQMXSA-N 346.202 2.978 50 40 EFGB NNC(=O)CCc1ccc(-c2ccc(Br)cc2F)o1 216924844 YPAUGNPVSIEMRI-UHFFFAOYSA-N 327.153 2.771 50 40 EFGB NNC(=O)c1cc(Br)c2[nH]c(-c3ccccc3)nc2c1 216921001 JXCXVDYLPZTNJV-UHFFFAOYSA-N 331.173 2.596 50 40 EFGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])cc2)cc1 193793928 QLJFFODMCATYEX-GDNBJRDFSA-N 337.335 2.827 50 40 EFGB COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OC(C)C 5130867 IJQWCWSZIMIIIA-INIZCTEOSA-N 340.383 2.732 50 40 EFGB O=C(NNC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1ccccc1 5559885 WPYCDEFQYMPFCZ-UHFFFAOYSA-N 328.416 2.991 50 40 EFGB O=C(N/N=C/c1ccccc1OC(=O)c1ccco1)c1ccncc1 221205 UOIBLRTUUHABBY-UDWIEESQSA-N 335.319 2.658 50 40 EFGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(C)cc1OC 5817627 MPDOAKFEGUSKLS-INIZCTEOSA-N 340.383 2.652 50 40 EFGB COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1ccncc1 409231192 IHSUUGIIEUYCTJ-KGENOOAVSA-N 338.411 2.844 50 40 EFGB COc1cccc(CC(=O)N/N=C\c2ccc(N3CCCC3)cc2)c1 408959588 BMAGEBYFXUJWNV-QNGOZBTKSA-N 337.423 2.988 50 40 EFGB COc1cc(/C=N/NC(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1O 36047423 ABTDVOCOKWJAHP-CAOOACKPSA-N 349.730 2.726 50 40 EFGB Cc1cc(C(F)(F)F)cc(NNC(=O)c2cc(Cl)n(C)n2)n1 159708 LUBGXUKNVKJOBX-UHFFFAOYSA-N 333.701 2.553 50 40 EFGB COc1cc(/C(C)=N/NC(=O)c2ccc(O)cc2)cc(OC)c1OC 4964562 NLDVPZBKTRPVQS-YBFXNURJSA-N 344.367 2.572 50 40 EFGB COc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OC)c1OC 7516699 VEQHPCJGMYFFJM-QGZVFWFLSA-N 338.363 2.931 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2ccc(C)c(C)c2)c(OC)c1 221221 VWFGCXOAJZRLSY-RGVLZGJSSA-N 342.395 2.850 50 40 EFGB Cc1cc(OCC(=O)NNC(=O)c2ccc(F)cc2)ccc1Cl 504869 HFOZXAVRMZSWAN-UHFFFAOYSA-N 336.750 2.628 50 40 EFGB Cc1cc(C)cc(OCC(=O)NNC(=O)/C=C/c2ccc(F)cc2)c1 6825707 AWLKXBQTFDFKBQ-VMPITWQZSA-N 342.370 2.682 50 40 EFGB Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1c(C)nc3ccccn13)C(O)=N2 13122326 IKHAEIKZOXPJDH-UHFFFAOYSA-N 347.378 2.995 50 40 EFGB C[C@H](NC(=O)C(=O)N/N=C/c1ccc(Cl)cc1)c1ccccc1 3147935 LDAPPCJDHZZJMG-MKFNJMOCSA-N 329.787 2.668 50 40 EFGB O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1cccs1 569179 PMEGOSQDNRUIBN-MKMNVTDBSA-N 325.733 2.779 50 40 EFGB COC(=O)CS[C@@H](NC(=O)c1ccc(C)cc1)C(Cl)Cl 98049002 AMURTCHSAWZBBY-CYBMUJFWSA-N 336.240 2.761 50 40 EFGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OC)cc2C)c1 582680 PXZSNURSLODLNK-YBFXNURJSA-N 328.368 2.785 50 40 EFGB C=CCOc1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1 6363469 FOHCAWLYUTVFRH-DEDYPNTBSA-N 337.379 2.974 50 40 EFGB COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1C(=O)O 5527220 BGLHDAKRSJZBCT-GIJQJNRQSA-N 332.743 2.811 50 40 EFGB COc1ccccc1OCC(=O)N/N=C/c1ccc(SC)cc1 510851 DSAZUWBOVXBFHV-WOJGMQOQSA-N 330.409 2.946 50 40 EFGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(Br)cc1C 6694245 RXIMLGZQTXJPBP-GHXNOFRVSA-N 346.184 2.550 50 40 EFGB C/C(CC(=O)NCc1ccc(F)cc1)=N\NC(=O)c1ccccc1F 104813406 NJNAPKRDGITGPJ-WSDLNYQXSA-N 345.349 2.777 50 40 EFGB COc1ccc(CNS(=O)(=O)[C@@H]2CCCC[C@@H]2Cl)cc1OC 65493919 YHODIRTYJYFZRP-SWLSCSKDSA-N 347.864 2.673 50 40 EFGB COc1ccccc1C(=O)N/N=C/c1cc(Cl)c(O)c(OC)c1 5880556 LXTGQPZUEQDROS-GIJQJNRQSA-N 334.759 2.827 50 40 EFGB Cc1ccc(C(=O)NNC(=O)c2ccc(Br)o2)c(C)c1 5823238 PMJWPVYFBSDKGD-UHFFFAOYSA-N 337.173 2.734 50 40 EFGB CC(C)c1ccc(S(=O)(=O)NNC(=O)Nc2ccccc2)cc1 32811035 WFURMSZNGBLTLV-UHFFFAOYSA-N 333.413 2.825 50 40 EFGB O=C(CNc1ccccc1F)N/N=C/c1c(Cl)nc2ccccn12 3176274 UWXLMQHZXWPHKM-AWQFTUOYSA-N 345.765 2.689 50 40 EFGB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)c1ccco1 7539560 HUXOPNBJVCETFF-LBPRGKRZSA-N 330.384 2.806 50 40 EFGB O=C(NNC(=O)c1cc(Cl)ccc1Cl)c1ccccc1O 5392476 LPHCUIOLYBOZCA-UHFFFAOYSA-N 325.151 2.774 50 40 EFGB C/C(CC(=O)NC(C)C)=N\NC(=O)COc1ccc2ccccc2c1 4523549 QSUUVLRSLHAMOR-KGENOOAVSA-N 341.411 2.625 50 40 EFGB O=C(NNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1 17170944 UXOIPLQRBUCWFK-UHFFFAOYSA-N 346.390 2.825 50 40 EFGB Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccccc2Cl)cc1 12292654 XRCXEHPGFIAGPX-LBPRGKRZSA-N 332.787 2.877 50 40 EFGB COc1ccc(/C=N/NC(=O)Cn2ccc3ccccc32)cc1OC 4676591 WHWAOZILLDYEDE-UDWIEESQSA-N 337.379 2.809 50 40 EFGB C=CCOc1cccc(/C=N/NC(=O)COc2ccc(OC)cc2)c1 5513825 ICXFGTSJSQFQLJ-DEDYPNTBSA-N 340.379 2.789 50 40 EFGB Cc1ccc(C)c(NC(=O)NNS(=O)(=O)c2ccc(C)c(C)c2)c1 15934252 SFHNXJMGHXEABW-UHFFFAOYSA-N 347.440 2.935 50 40 EFGB CCc1n[nH]c2c1[C@H](c1cc3c(cc1Cl)OCO3)C(C#N)=C(N)O2 8382602 KCQLLBUQGJHNCT-CYBMUJFWSA-N 344.758 2.572 50 40 EFGB COc1ccc(CNS(=O)(=O)[C@H]2CCCC[C@@H]2Cl)cc1OC 65493923 YHODIRTYJYFZRP-WFASDCNBSA-N 347.864 2.673 50 40 EFGB Cc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1 409004884 FXYAAXYVCMEIGF-PXLXIMEGSA-N 349.434 2.998 50 40 EFGB C/C(=N\NC(=O)CNC(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 5221546 CAQTVWPDOQVRAN-FYJGNVAPSA-N 341.411 2.847 50 40 EFGB C=CCOC(=O)c1sc(NC(=O)CCl)c(C(=O)OCC)c1C 3278530 YOFMEQOUFWTHOZ-UHFFFAOYSA-N 345.804 2.753 50 40 EFGB CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1OC 4453477 JJYNALOCBSRGFI-INIZCTEOSA-N 340.383 2.734 50 40 EFGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc2c(cc1Cl)OCO2 4674959 OFKWFLOSCXJSRH-HNNXBMFYSA-N 344.754 2.883 50 40 EFGB CCCCOc1ccc(/C=N/NC(=O)CSc2ncccn2)cc1 408861928 GTHWVXXKVBPXOJ-UDWIEESQSA-N 344.440 2.898 50 40 EFGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OC)c1OCC#N 408772838 IHQRBKNKLYBHOB-YBEGLDIGSA-N 339.395 2.758 50 40 EFGB COc1cc(/C=N/NC(C)=O)ccc1OCc1ccc([N+](=O)[O-])cc1 44059825 URHFHQWVBRAZQU-VCHYOVAHSA-N 343.339 2.652 50 40 EFGB COC(=O)c1ccc(N/C=C(\C#N)C(=O)NC2CCCCC2)cc1 11692040 LMYKDRNZFFUIAW-WYMLVPIESA-N 327.384 2.741 50 40 EFGB Cc1ncc([N+](=O)[O-])n1CC(=O)NN=C1CCC(C(C)(C)C)CC1 6607795 OISZVASVKSHGEQ-UHFFFAOYSA-N 335.408 2.808 50 40 EFGB CCN(NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(C)cc1 8051373 XOKUQOVXSVSGBP-UHFFFAOYSA-N 346.452 2.711 50 40 EFGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2C)cc(OC)c1O 3315580 BOWYFKQCMMDEED-VXLYETTFSA-N 328.368 2.790 50 40 EFGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccncc1 408996562 QASKORMKNMBEAD-XDHOZWIPSA-N 341.371 2.600 50 40 EFGB CC(C)N(C(=O)OCc1ccccc1)[C@@H]1CCN(C(=O)CCl)C1 79411978 ALXDRNCBCKHUMT-OAHLLOKOSA-N 338.835 2.873 50 40 EFGB CC(C)n1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cn1 253397928 GGJOKOSQUVWEMD-OAHLLOKOSA-N 326.400 2.915 50 40 EFGB CCOC(=O)Cn1cc(/C=C(/C#N)C(=O)NC(C)C)c2ccccc21 13111954 UOAMLLVPZYWZFP-ZROIWOOFSA-N 339.395 2.636 50 40 EFGB COC(=O)c1sccc1NNC(=O)C(Cl)=C(Cl)Cl 159999 LOXDOCNYINZXDA-UHFFFAOYSA-N 329.592 2.863 50 40 EFGB CN1CCCC[C@H]1C(=O)N/N=C/c1cc(Br)ccc1F 1059660 DCNUVDNSEWJHGD-YRUBURHZSA-N 342.212 2.523 50 40 EFGB N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)NCc1cccnc1 3179383 XQVYGWXWLMRZGB-RIYZIHGNSA-N 329.306 2.906 50 40 EFGB CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CCSSCC2)C1 89662449 YSNWZQJCPHPUPD-NEPJUHHUSA-N 346.518 2.903 50 40 EFGB O=C(CBr)Nc1ccc(C(=O)NCc2ccccc2)cc1 35605482 AIDNFMKEXWJEHC-UHFFFAOYSA-N 347.212 2.950 50 40 EFGB COc1cc(Br)cc(/C=N/NC(=O)c2ccccc2)c1O 64285 VMMIUKXOIZMTOK-RQZCQDPDSA-N 349.184 2.927 50 40 EFGB CC(=O)N1C[C@@H](C(=O)NNc2cccc(Cl)c2)Oc2ccccc21 30612418 TXFXGWDAVIFIJK-INIZCTEOSA-N 345.786 2.597 50 40 EFGB O=C(NNc1ncccn1)c1nn(-c2ccccc2)c2c1CCCCC2 52410176 APESCCKBTDDVKJ-UHFFFAOYSA-N 348.410 2.688 50 40 EFGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 59505940 YSQQHXMYOJFQQC-GIJQJNRQSA-N 342.226 2.892 50 40 EFGB O=C(NNc1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1 64024975 BUALHNPDQIDXGT-UHFFFAOYSA-N 331.803 2.934 50 40 EFGB CCCCCOc1ccc(N/C=C(\C#N)C(=O)N2CCOCC2)cc1 4342064 NETPEZRPTBVKQG-FOCLMDBBSA-N 343.427 2.934 50 40 EFGB O=C1[C@@H](Cl)O[C@](O)(Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@]12Cl 37246286 BZGQLKJNISWUDN-YTLHQDLWSA-N 346.808 2.694 50 40 EFGB NNC(=O)Cc1c(O)nc2cc(Cl)ccc2c1-c1ccccc1 256027799 CSBAUJOCDLJYRD-UHFFFAOYSA-N 327.771 2.793 50 40 EFGB COC[C@H](C)OC(=O)/C(C#N)=C/c1coc2ccc(Cl)cc2c1=O 2758934 QWQWZBIJSDWAJE-XXNJBDPSSA-N 347.754 2.931 50 40 EFGB Cc1ncsc1C(=O)NNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 104636899 ZVSJHYUIXJMAHH-MNOVXSKESA-N 335.816 2.670 50 40 EFGB O=C(CBr)OCCCOCCCOc1ccccc1 1566561 RFTKSEMBMIFHDH-UHFFFAOYSA-N 331.206 2.800 50 40 EFGB CN(C)c1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 5636754 AEYLMPBTRRYXTD-UHFFFAOYSA-N 341.455 2.730 50 40 EFGB C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)c1ccccn1 100923094 QXTURYUZLKJPBZ-RGVLZGJSSA-N 330.775 2.870 50 40 EFGB CSc1ccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 59444312 YEOQTCJVMUSPNW-KZKLBEMASA-N 341.436 2.736 50 40 EFGB Cc1nc(-c2ccccc2)ccc1C(=O)NNC(=O)c1cccnc1 16202377 WHFZIRHWHFWHAA-UHFFFAOYSA-N 332.363 2.527 50 40 EFGB CCOc1ccccc1OCC(=O)N/N=C(/C)c1ccc(C#N)cc1 72121248 NSTCHQADDHHICB-STZFKDTASA-N 337.379 2.876 50 40 EFGB C/C(=N\NC(=O)CNc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 223386 XAANTQDWEJRHPJ-CPNJWEJPSA-N 326.356 2.856 50 40 EFGB COC(=O)c1ccc(N/C=C(\C#N)C(=O)NCc2ccccc2)cc1 5485367 RJCAPEAQWIWHOP-DTQAZKPQSA-N 335.363 2.609 50 40 EFGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)N(C)C)o1 59333657 DRZPFJFEASOHBO-FLIBITNWSA-N 341.323 2.859 50 40 EFGB C=C1CC(C(=O)N/N=C/c2cc(Br)cc(OC)c2O)C1 408731222 YYDFTHIVERAIEM-FRKPEAEDSA-N 339.189 2.580 50 40 EFGB Cc1c(/C=C(\C#N)C(=O)NCC2(c3ccccc3)CC2)cc(C#N)n1C 25674800 IWFTYMANLOKRDQ-LICLKQGHSA-N 344.418 2.960 50 40 EFGB Cc1ccccc1NCC(=O)N/N=C/c1cc2c(cc1Cl)OCO2 1433645 LHHWISQTJCPLKQ-DNTJNYDQSA-N 345.786 2.939 50 40 EFGB Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2C)c(C)n1-c1ccc(F)cc1 12558097 KSOTUKLRAHGKCS-ZUZCIYMTSA-N 329.375 2.650 50 40 EFGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@]23[C@H]4C=C[C@@H](C4)[C@]12N=NN3c1ccccc1 104292973 OMGGDHZFRGBBHT-XFUZUWHMSA-N 347.374 2.523 50 40 EFGB Cc1cccc(-n2ncc(C(=O)NNC(=O)c3cccs3)c2C)c1 13021501 WKTCJVWAYBJEDY-UHFFFAOYSA-N 340.408 2.625 50 40 EFGB CCOc1ccc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc1 6595675 NDMYPOLJNKOIOY-XDHOZWIPSA-N 328.368 2.866 50 40 EFGB O=C(O)c1ccc(-n2cccc2/C=N/NC(=O)c2ccccc2)cc1 4747612 KTTBTKCAAVECCV-DEDYPNTBSA-N 333.347 2.939 50 40 EFGB CCN1CC=C2[C@H](C1)[C@@H](c1ccccc1F)C(C#N)=C(N)C2(C#N)C#N 20026565 VNTXAFWZFKDMMH-YJBOKZPZSA-N 347.397 2.571 50 40 EFGB CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)Nc2ccccc2)cc1 8848349 DNHOEYDNMVFMGX-UHFFFAOYSA-N 347.440 2.999 50 40 EFGB COc1cc(OC)c(OC)cc1/C=N\NC(=O)Cc1ccc(F)cc1 36224048 YUZUCLOVJTZMPO-JAIQZWGSSA-N 346.358 2.544 50 40 EFGB COc1cccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c1 5880417 BDCJNHDJLPIHEP-VIZOYTHASA-N 336.347 2.647 50 40 EFGB O=[N+]([O-])c1ccc(-c2nnc3n2C[C@@H](CBr)S3)cc1 12651802 NKDYQISUUXCSGU-SECBINFHSA-N 341.190 2.723 50 40 EFGB COc1ccc(C(=O)N/N=C/c2ccc(N(C)CCC#N)cc2)cc1 6419313 DSXDICIPMDIJSZ-KGENOOAVSA-N 336.395 2.809 50 40 EFGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1ccccc1 20086632 ICAKIJNGPWELKD-OAHLLOKOSA-N 328.327 2.828 50 40 EFGB C/C(CC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)C1CCCCC1 100923022 YULBKWZSKGSSEM-XDHOZWIPSA-N 346.387 2.996 50 40 EFGB CCCOc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1OCC 4714691 OKZSSXBSRIXROW-XSFVSMFZSA-N 347.459 2.810 50 40 EFGB COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccn(C)n2)c1C 26406308 YXNMPDFTGYZCOU-WFSQQTBHSA-N 341.415 2.592 50 40 EFGB CC[C@H](C)NC(=O)C/C(C)=N/NC(=O)OCc1ccc(OC)cc1 5247759 MATWUUMDSXXRTA-NHLWYUBBSA-N 335.404 2.602 50 40 EFGB CCN(NC(=O)CCNC(=O)c1ccccc1)c1ccc(C)cc1 14941238 NCDQCKTVPDXSOB-UHFFFAOYSA-N 325.412 2.673 50 40 EFGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1O 409244231 ZVLIVWFZYMRNFK-OCKHKDLRSA-N 336.750 2.886 50 40 EFGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1ccccc1 96563315 ICAKIJNGPWELKD-HNNXBMFYSA-N 328.327 2.828 50 40 EFGB O=C(NNC(=O)c1ccc(OCc2ccccc2)cc1)c1ccncc1 3314873 OSFWELOCHZBAPT-UHFFFAOYSA-N 347.374 2.735 50 40 EFGB CCCc1n[nH]c2c1[C@@H](c1ccc([N+](=O)[O-])s1)C(C#N)=C(N)O2 9122161 OPWHGQKFABUSPF-LLVKDONJSA-N 331.357 2.550 50 40 EFGB Cc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)n1C 408776767 QMZGUDLUTDAAPT-RQZCQDPDSA-N 346.412 2.793 50 40 EFGB CS(=O)(=O)[C@@H](Br)[C@H](O)c1ccc(Cl)cc1Cl 96519045 PJXIQQOTULEVNB-RKDXNWHRSA-N 348.045 2.792 50 40 EFGB C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 137736 WOUJHGBRGBAGGE-PTPOTIKZSA-N 337.719 2.759 50 40 EFGB Cc1cccc(C(=O)NNC(=O)COc2ccc3ccccc3c2)c1 320289 CDOKKGMCIBHTIV-UHFFFAOYSA-N 334.375 2.988 50 40 EFGB Cc1cc(C)cc(C(=O)NNC(=O)CN2CCCc3ccccc32)c1 12557394 NIUSRXJBHPGFQK-UHFFFAOYSA-N 337.423 2.517 50 40 EFGB CC(=O)N1[C@@H](C(=O)NNc2ccccc2)CS[C@@H]1c1ccccc1 1643131 BLKAUWDHKQFPLR-SJLPKXTDSA-N 341.436 2.792 50 40 EFGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OC(C)=O)cc1 408764689 MYHXDKRHJABLRG-YBFXNURJSA-N 326.352 2.693 50 40 EFGB C#CCn1cc(/C=N/NC(=O)CNc2ccccc2)c2ccccc21 409375516 LXDPJVOAIDSEEE-LPYMAVHISA-N 330.391 2.837 50 40 EFGB CCN(C[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)CCl 79392672 UAYRPUGQPXCGDC-OAHLLOKOSA-N 338.835 2.875 50 40 EFGB Cc1n[n+]2c(n1-c1ccccc1)SC[C@]2(C)CBr 1811630 FYRDPVPGUOQBOJ-ZDUSSCGKSA-N 325.255 2.684 50 40 EFGB CCN(CC)C(=O)CSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1 6948779 PCMLXYCYEHIUTI-CQSZACIVSA-N 343.452 2.627 50 40 EFGB CN1C(=O)/C(=N\NC(=O)c2ccccc2-n2cccc2)c2ccccc21 101732826 QNPOOYCDEYIHIN-UZYVYHOESA-N 344.374 2.588 50 40 EFGB CCOc1ccccc1OCC(=O)N/N=C(\C)c1ccccc1O 4150717 YQSOXQDEQVMPLY-CPNJWEJPSA-N 328.368 2.710 50 40 EFGB COC(=O)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 13940820 DHSNYBKTLNOTSL-LICLKQGHSA-N 343.295 2.504 50 40 EFGB COc1ccc(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)cn1 69769480 XZOKWLMBGAMLQE-UHFFFAOYSA-N 345.746 2.551 50 40 EFGB Cc1n[nH]c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 6664006 BPYGIGABSSTCPT-LBPRGKRZSA-N 349.163 2.838 50 40 EFGB N#CC1=C(N)SC(N)=C(C#N)C1c1ccc(Br)s1 2229679 KTAXLWWFZOSLRO-UHFFFAOYSA-N 339.243 2.729 50 40 EFGB CCOC(=O)[C@H](/C(C)=N/NC(=O)c1ccccc1[N+](=O)[O-])C(C)C 4066513 HXBWURBQFKKGKD-MPMPPSQCSA-N 335.360 2.536 50 40 EFGB Cc1cccc(C(=O)NNC(=O)c2cccc(Cl)c2)c1[N+](=O)[O-] 6220998 SYWMWOGHSMJKJB-UHFFFAOYSA-N 333.731 2.631 50 40 EFGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1 408810312 IPXRFKKDAXGBON-RVDMUPIBSA-N 342.395 2.594 50 40 EFGB CSc1nc(C)cc(SCC(=O)N/N=C/c2ccccc2)n1 496290 FHMFQWMYLHKQMV-CXUHLZMHSA-N 332.454 2.749 50 40 EFGB CC(C)(C)NC(=S)NNC(=O)COc1cccc2ccccc12 14895007 RBAGZQQALOSPES-UHFFFAOYSA-N 331.441 2.512 50 40 EFGB CCCCNC(=O)/C(C#N)=C\N1CCN(c2cccc(Cl)c2)CC1 32021090 AYCAHNNDKRFQBH-PFONDFGASA-N 346.862 2.786 50 40 EFGB Cc1cccc(OCC(=O)N/N=C\c2ccc(C(=O)O)cc2)c1C 30843346 GUDUGZPBVUCXEA-GRSHGNNSSA-N 326.352 2.531 50 40 EFGB N#C/C(=C\c1cccc(O)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 16049180 IMYDSBBDNPKNBW-FOWTUZBSSA-N 349.390 2.774 50 40 EFGB COc1cc([N+](=O)[O-])cc(/C=C(/C#N)C(=O)Nc2ccccc2)c1O 408744766 ZYUAHIUUEFGHOJ-GHXNOFRVSA-N 339.307 2.855 50 40 EFGB O=C(N/N=C/c1ccccc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 409157393 QPGGOWFLDHNRRD-XLTHYULKSA-N 341.798 2.843 50 40 EFGB Cc1ccc(-c2ccc(C3=NO[C@H]4C(=O)OC(=O)[C@@H]34)o2)cc1Cl 257173701 VHLUTZHAJGIRPP-GXTWGEPZSA-N 331.711 2.711 50 40 EFGB O=C(COc1ccccc1)NN=Cc1ccc(Br)cc1 252585579 JMZIARLQEKJGBJ-UHFFFAOYSA-N 333.185 2.978 50 40 EFGB CCCn1nc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1C 253396130 DEGKZLLBGNPZGP-INIZCTEOSA-N 326.400 2.725 50 40 EFGB COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)cc(OC)c1O 15229419 CXYMTIDRIHWOCU-JYRVWZFOSA-N 330.384 2.765 50 40 EFGB COc1ccc(/C=N\NC(=O)Cc2ccc(C)cc2)cc1[N+](=O)[O-] 409359341 BLKKPGJDWLSWHH-WQRHYEAKSA-N 327.340 2.605 50 40 EFGB Cc1ccccc1OCCCOc1cccc(/C=N/NC(N)=O)c1 4676472 QYVLDUZRCYJWKX-DEDYPNTBSA-N 327.384 2.845 50 40 EFGB CC(C)n1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cn1 253397923 GGJOKOSQUVWEMD-HNNXBMFYSA-N 326.400 2.915 50 40 EFGB C/C(=N/NC(=O)c1ccco1)c1ccc(NC(=O)C(F)(F)F)cc1 369520 YSKCMFKMMQTNNQ-UKWGHVSLSA-N 339.273 2.934 50 40 EFGB CC(=O)Nc1sc(C(=O)N/N=C/c2ccccc2)c(C)c1C#N 6825040 DOWWIBIQIIUGBA-GIJQJNRQSA-N 326.381 2.651 50 40 EFGB CCCCCCc1ccc([C@H](C)NNC(=O)C2=NNC(=O)[C@@H]2C)cc1 100937969 MPPNVTSKMXRIAH-KGLIPLIRSA-N 344.459 2.613 50 40 EFGB CCCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1 9014346 XHOPOZSWAATDMM-ZDUSSCGKSA-N 330.409 2.712 50 40 EFGB CCc1[nH]nc2c1[C@@H](c1ccc(N3CCCC3)cc1)C(C#N)=C(N)O2 4451035 JVMKWXXNWJERJN-INIZCTEOSA-N 335.411 2.790 50 40 EFGB C/C(=N\NC(=O)c1ccoc1C)c1ccc(N2CCOCC2)c(F)c1 8124033 IZXDBHGJJAPNPU-UDWIEESQSA-N 345.374 2.718 50 40 EFGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)C(N)=S 408544744 XKQXSHVVDUBROD-GXDHUFHOSA-N 337.404 2.897 50 40 EFGB C/C(=N\NC(=O)c1ccco1)c1ccc(NC(=O)C(F)(F)F)cc1 15997833 YSKCMFKMMQTNNQ-AWQFTUOYSA-N 339.273 2.934 50 40 EFGB CCOc1cc(/C=C/C(=O)NN)ccc1OCc1ccc(C)cc1 226365206 URDXOEDTDHITAD-PKNBQFBNSA-N 326.396 2.976 50 40 EFGB O=C(CCCc1c[nH]c2ccccc12)N/N=C1/C(=O)Nc2ccccc21 18192246 VBOQALXYRKGAGK-UHFFFAOYSA-N 346.390 2.963 50 40 EFGB O=S1(=O)c2ccccc2[C@@H](N2CCCCC2)[C@@H]1Br 90470061 XWSDTNCPIPMWKN-CHWSQXEVSA-N 330.247 2.722 50 40 EFGB C[N+]1(C)CC(Br)=C(Br)[C@@H](Br)C1 494980 GKODXLSIKDJYHT-YFKPBYRVSA-N 348.884 2.841 50 40 EFGB CCOC(=O)C1=C2c3ncccc3ON2[C@@H](Cl)[C@H](Cl)[C@@H]1Cl 4235751 REIFVINDTGDQJR-KBVBSXBZSA-N 349.601 2.759 50 40 EFGB C[C@@H]1CCc2nc3ccccc3c(C(=O)NNc3ncccn3)c2C1 44716910 IHSONNQMNQBCMC-GFCCVEGCSA-N 333.395 2.907 50 40 EFGB O=C(N/N=C/c1ccc(Br)s1)[C@@H](O)c1ccccc1 5378198 NQHZPEDXANJIBT-AAWHYMEISA-N 339.214 2.694 50 40 EFGB C#CCOc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1Br 408775037 FGSLWSLXDCCVKA-JYRVWZFOSA-N 347.212 2.893 50 40 EFGB COc1ccc(/C=N/NC(=O)c2cccc(Cn3cccn3)c2)cc1 131782 RAJBHBQJKSDUOA-DEDYPNTBSA-N 334.379 2.704 50 40 EFGB CC(=O)NNC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C 32899976 HUJNUDATZYBELH-UHFFFAOYSA-N 343.330 2.918 50 40 EFGB C=CCNC(=S)NNC(=O)c1ccc(COc2ccccc2)cc1 16185791 YIBJUFOXVQYDBV-UHFFFAOYSA-N 341.436 2.561 50 40 EFGB O=C(NNc1ncnc2ccccc12)c1cc(-c2ccccc2)[nH]n1 32815327 DQQIBMZUSCZJAW-UHFFFAOYSA-N 330.351 2.777 50 40 EFGB CCCOc1cc(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)ccc1OC 6935087 CFDUROAVXWFRGA-DDITZMBXSA-N 344.411 2.686 50 40 EFGB O=C(CCc1nc2ccccc2s1)NNC(=O)c1ccccc1 7738037 KNYJVVXOBUIBKH-UHFFFAOYSA-N 325.393 2.690 50 40 EFGB COc1ccccc1CC(=O)NNc1c(F)c(F)cc(F)c1F 7787194 KTIUHDOAOJNMIH-UHFFFAOYSA-N 328.265 2.937 50 40 EFGB COc1ccc(/C(C)=N/NC(=O)Cc2ccc3c(c2)OCO3)cc1 409053478 CYTWBNJOHFBEKO-XDHOZWIPSA-N 326.352 2.507 50 40 EFGB COc1ccc(/C=N/NC(=O)COc2cccc(Cl)c2)cc1OC 3166907 CDSRGZZRSFYJDR-VXLYETTFSA-N 348.786 2.886 50 40 EFGB N#CC(Nc1ccc2c(c1)OCCO2)=C1C(=O)c2ccccc2C1=O 99684 SKODYZKVHVCECX-UHFFFAOYSA-N 332.315 2.727 50 40 EFGB O=C(N/N=C/c1cccc(Cl)c1Cl)C(=O)NC1CCCCC1 59383222 MCACZBOMZFPJSL-GIJQJNRQSA-N 342.226 2.892 50 40 EFGB CN(C)c1nc(N)nc(/C(C#N)=C/c2c(Cl)cccc2Cl)n1 11297811 SXCKBJLCBQLYLZ-SOFGYWHQSA-N 335.198 2.891 50 40 EFGB O=C(Cc1cccc2ccccc12)N/N=C1/C(=O)Nc2ccccc21 5093722 WWXNPYMICPLIGB-UHFFFAOYSA-N 329.359 2.855 50 40 EFGB CCOc1ccccc1/C=N/NC(=O)COc1ccccc1[N+](=O)[O-] 4721081 HJKXXHBJEAJVEC-WOJGMQOQSA-N 343.339 2.523 50 40 EFGB N#C/C(=C/c1ccc(-c2ccc(C#N)cc2)o1)C(=O)N1CCOCC1 409019314 QZBIYDKIGNYLEB-WJDWOHSUSA-N 333.347 2.584 50 40 EFGB O=C(NNc1cccc(Cl)n1)c1cncc(Br)c1 20031603 IXXQSNLAHJUUNF-UHFFFAOYSA-N 327.569 2.649 50 40 EFGB O=C(NNC(=O)c1c(F)c(F)c(F)c(F)c1F)c1cccc(F)c1 199405885 KGOZDKRRXPCFRO-UHFFFAOYSA-N 348.202 2.596 50 40 EFGB CCOC(=O)NNC(=O)COC(c1ccccc1)c1ccccc1 21771814 OQXGPFYXKXDCGJ-UHFFFAOYSA-N 328.368 2.570 50 40 EFGB COc1ccc(/C=N/NC(=O)c2cn(C)c3ccccc23)c(OC)c1 550337 PNMVPRBZTCTHTC-RGVLZGJSSA-N 337.379 2.959 50 40 EFGB O=C(N/N=C/c1ccccc1)C(=O)Nc1ccccc1Br 59435801 XEPUWKMCYWPVHE-LICLKQGHSA-N 346.184 2.538 50 40 EFGB O=C(NNC1=C(C(=O)C(F)(F)F)CCCCC1)c1cccnc1 4113497 QTFUXFPVCQMEJZ-UHFFFAOYSA-N 327.306 2.666 50 40 EFGB CCc1sc(C(=O)NNC(=O)CCOc2ccccc2)cc1C 6602601 RGYROUCDLKYRQB-UHFFFAOYSA-N 332.425 2.849 50 40 EFGB COc1cccc(CC(=O)N/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)c1 409097624 MYOMUFQULHAUHA-ZDLGFXPLSA-N 347.758 2.950 50 40 EFGB CC/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1cc(F)ccc1O 13135126 RZRHDIRUPDRIPS-NNIWKIFQSA-N 344.342 2.602 50 40 EFGB CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2nc(C)no2)c1C 96402096 NFKQWXGGUHSPGS-RGZVIEDOSA-N 341.415 2.991 50 40 EFGB CC(C)(C)OC(=O)N[C@@H](CCC(=O)CCl)C(=O)OC(C)(C)C 83259238 YAVBUNUPPHQFPT-NSHDSACASA-N 335.828 2.810 50 40 EFGB CS(=O)(=O)c1ccc(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)cc1 26897246 XUCBXSJIJSSYBF-YBEGLDIGSA-N 328.349 2.954 50 40 EFGB O=C(NNC(=O)c1ccccc1Br)c1cccs1 320229 KNBLMVCXJKGMQR-UHFFFAOYSA-N 325.187 2.585 50 40 EFGB C=CCc1cc(/C=N/NC(=O)c2ccccn2)cc(OCC)c1O 59678707 PMQRVGQMUKWRRZ-UDWIEESQSA-N 325.368 2.678 50 40 EFGB Cc1ccc(NNC(=O)c2cnc3c(c2)c(C)nn3C)cc1Cl 12981263 QZQYHCSEGLQIAL-UHFFFAOYSA-N 329.791 2.995 50 40 EFGB COc1ccccc1C(=O)NNC(=O)c1ccc2[nH]c(C)c(C)c2c1 6754581 GFJWRWRJBOLYCX-UHFFFAOYSA-N 337.379 2.868 50 40 EFGB O=C(NNc1ncccn1)C1(c2ccc3c(c2)OCO3)CCCCC1 64290191 AAKMBLWRGOXDJB-UHFFFAOYSA-N 340.383 2.551 50 40 EFGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2nnc(C)s2)cc1OC 142472 WZXYSFDFCPCOJI-KPKJPENVSA-N 344.396 2.800 50 40 EFGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)O)cc1 3616556 CMPIPRCGVHBPRC-UKTHLTGXSA-N 337.291 2.839 50 40 EFGB COc1cc(C(=O)N/N=C/c2sccc2C)cc(OC)c1OC 491875 FKFYQEWXJSWQAT-RQZCQDPDSA-N 334.397 2.846 50 40 EFGB