smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@H]1C=CCC(C)(C)[C@H]1C(=O)C[C@@H](C)NNC(=O)c1ccccc1 4548341 VMCBOPPLRJUNNR-HDMKZQKVSA-N 328.456 3.507 50 40 EHGB N#CC1=C2SCN(C3CCCC3)CN2C(=O)C[C@H]1c1cccs1 20347981 FIPQGZXPALZUOH-CYBMUJFWSA-N 345.493 3.706 50 40 EHGB O=C(CCCCl)Nc1ccccc1-c1nc(-c2ccco2)no1 22463255 JOPSNGDAXFBWGO-UHFFFAOYSA-N 331.759 3.954 50 40 EHGB CCOC(=O)/C(C#N)=C\c1ccc(NC(=O)c2ccccc2F)cc1 6179639 NJRQAPIYNFLROO-KAMYIIQDSA-N 338.338 3.548 50 40 EHGB COc1cccc2cc(C(=O)N/N=C/c3ccc(Cl)cc3)oc12 4739970 IHUIRBRBVVVDHJ-VXLYETTFSA-N 328.755 3.859 50 40 EHGB O=C(c1ccc(Cl)c(F)c1)[C@@H](Br)CBr 306913343 PAKPJOLGPCOOEM-LURJTMIESA-N 344.405 3.820 50 40 EHGB C[C@]12CC=C3C4=C(CC[C@H]3[C@@H]1CC[C@]2(O)C#N)CC1(CC4)OCCO1 97978700 ITBGBOBQGVJJRT-FYQPLNBISA-N 341.451 3.621 50 40 EHGB in-vitro Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(C(C)C)cc2)c1C 3016699 VSTBYNSKBHLFAC-CIAFOILYSA-N 337.423 3.516 50 40 EHGB CC(=O)O[C@@H]1C[C@](F)(C(F)(F)F)[C@](F)(C(F)(F)F)C[C@@H]1Cl 215670146 NSDMPHHLQXQISE-FKSUSPILSA-N 348.617 3.861 50 40 EHGB O[C@H](CCl)CSc1nnc(-c2ccccc2)n1-c1ccccc1 501420 UBBYJMKRYGBFCQ-OAHLLOKOSA-N 345.855 3.626 50 40 EHGB CC1=C(C#N)[C@@H](c2ccc(Br)cc2)C2=C(CCCC2=O)N1 19805598 ZWZQDTWAJBYOBK-MRXNPFEDSA-N 343.224 3.941 50 40 EHGB Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)Cc2ccccc2-3)s1 84205203 AOZPCEKKFJSJJI-UHFFFAOYSA-N 348.427 3.703 50 40 EHGB O=C1OC(=O)c2ccccc2/C1=N/Nc1ccc(Cl)cc1Cl 100922993 MTAYQCFCBPYKRH-UYRXBGFRSA-N 335.146 3.507 50 40 EHGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1O 215796949 IEFJNMVKVGIUKU-WQLSENKSSA-N 328.755 3.600 50 40 EHGB Cc1cccc2cc(/C=N/NC(=O)Cc3ccccc3)c(Cl)nc12 408728521 OAJCXYRKEPDPPD-CIAFOILYSA-N 337.810 3.889 50 40 EHGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(Cl)cc1Cl 252184 PGLVTTILZLLRSX-DNTJNYDQSA-N 340.185 3.695 50 40 EHGB COc1ccc(C(=O)NNc2nc(-c3ccccc3)cs2)cc1 1415141 DDWIGIBGWHIFRE-UHFFFAOYSA-N 325.393 3.576 50 40 EHGB COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1 3055126 KIJHPWNGGVJRHC-FYJGNVAPSA-N 334.375 3.621 50 40 EHGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1cccs1 3619834 DNTLDWZVFJYTSI-VCHYOVAHSA-N 344.827 3.660 50 40 EHGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1O 4499458 UELLEJUWXUNOBD-UDWIEESQSA-N 349.346 3.608 50 40 EHGB Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(C)c1O 6202666 IWDCFGYMVKZYCZ-ZVBGSRNCSA-N 336.313 3.792 50 40 EHGB O=C(CBr)Nc1cccc(OCCc2ccccc2)c1 35605172 NDPKJKSVCKZFPO-UHFFFAOYSA-N 334.213 3.642 50 40 EHGB COC(=O)/C(C#N)=C(\SC)[C@@H]1C(=C(C#N)C#N)C=C(C)CC1(C)C 59662430 KUBAGJPJLOKMAM-RIBQPWQFSA-N 341.436 3.636 50 40 EHGB N#C/C(C(=O)c1cc(=O)c2ccccc2o1)=C1/Nc2ccccc2S1 100626808 DDLASFGRGJNMRX-XDHOZWIPSA-N 346.367 3.929 50 40 EHGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])o1 408988037 QEVPSYDUNLUTIT-YFHOEESVSA-N 331.715 3.695 50 40 EHGB CC(C)(C)OC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 508033 HFZBWICCHDRMMF-DEDYPNTBSA-N 340.379 3.764 50 40 EHGB CSc1ccc(/C=N/NC(=O)COc2ccc(C)c(C)c2)cc1 8182782 DTTPXTJOZPFVMP-YBFXNURJSA-N 328.437 3.554 50 40 EHGB CCCOc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1OCC 38366867 MNDVACSRVXCMOP-BKUYFWCQSA-N 344.386 3.777 50 40 EHGB COc1ccccc1/C=N/NC(=O)[C@@H](C)Nc1ccc2ccccc2c1 31123 SCVNAHXZWLOANX-QQHUYRGFSA-N 347.418 3.799 50 40 EHGB CC[C@H]1CCc2sc(C(=O)N/N=C(\C)c3ccncc3)cc2C1 8525851 OXHKSNUNIRXQMN-DZUMZMOTSA-N 327.453 3.812 50 40 EHGB CCOc1ccc(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)cc1 10475945 VGWUHNFPLZATHC-KGENOOAVSA-N 340.423 3.565 50 40 EHGB C[C@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)o1 8117557 QBPSNAIFROBBJO-QHHYGLDFSA-N 336.347 3.647 50 40 EHGB CC1(C)CC(=O)C2=C(C1)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 4772731 DFEMRLBRHDQBLP-HNNXBMFYSA-N 328.799 3.791 50 40 EHGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(N)=S 256475 NFZLUWPUCFOCGY-JXMROGBWSA-N 333.210 3.902 50 40 EHGB O=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1ccccc1F 8105602 QDYZJKYVNSISMX-KGENOOAVSA-N 325.387 3.580 50 40 EHGB C/C(=N/NC(=O)CCc1c(C)n[nH]c1C)c1ccc2ccccc2c1 13645871 AUUBSOHUOVPAED-BKUYFWCQSA-N 334.423 3.653 50 40 EHGB Cc1cc(OCC(=O)N/N=C/c2ccccc2Cl)ccc1Cl 566275 AAUHKQNZGAGABM-DJKKODMXSA-N 337.206 3.831 50 40 EHGB C[C@@H]1CCc2sc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2C1 3389837 WLPHONKUVAPNCU-VDCVXVNISA-N 343.408 3.545 50 40 EHGB CC(=O)N/N=C/c1c(Br)c(C)n(-c2ccccc2C)c1C 20243814 KNJDGXLBXGJMRC-GIJQJNRQSA-N 348.244 3.635 50 40 EHGB O=C(N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21)c1ccccn1 33380761 QZOHAOSMTVCSKF-SEDGDDRASA-N 343.386 3.740 50 40 EHGB CCc1nc(/C(C#N)=C/c2ccccc2OCC(=O)O)sc1C 55041453 KOXRPCZNQJLCBM-MDWZMJQESA-N 328.393 3.542 50 40 EHGB O=C(NNc1ccc(F)c(F)c1F)Nc1nc2ccccc2s1 58378217 GHHVRSDXDULJKL-UHFFFAOYSA-N 338.314 3.862 50 40 EHGB N#C/C(=C/c1ccccc1Br)C(=O)Nc1ccccc1 209995886 NZCXIBOEHLPIDZ-RAXLEYEMSA-N 327.181 3.995 50 40 EHGB COc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)cc(SC#N)c1O 409048752 TXRVZRIEOQPELJ-IUXPMGMMSA-N 329.337 3.633 50 40 EHGB C/C(=N\NC(=O)CNc1ccc(Cl)cc1)c1cc(C)ccc1C 409361310 GWIQGXQZQKROGF-KGENOOAVSA-N 329.831 3.909 50 40 EHGB CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)CSc1nccn1C1CC1)C2 102177678 TUHRMSSXUXEPRD-CPCSLKPTSA-N 346.500 3.629 50 40 EHGB COc1ccc(CC(=O)N/N=C\c2ccc(OC)c3ccccc23)cc1 33330408 MSIDCFRDIIXEFM-HMAPJEAMSA-N 348.402 3.550 50 40 EHGB CCOc1ccc(/C=N/NC(=O)CSCc2ccccc2C)cc1 59383274 YATMSPGXIYAYMA-UDWIEESQSA-N 342.464 3.777 50 40 EHGB CC1=CC[C@H](/C=N/NC(=O)CC[C@H]2CCCCC23OCCO3)CC1 5163787 OAHAUAFWAVEJIZ-ASZKNSDASA-N 334.460 3.548 50 40 EHGB N#Cc1ccc(/C=N/NC(=O)C2c3ccccc3-c3ccccc32)cc1 223669 HYNYZEURTDYYTC-ZVHZXABRSA-N 337.382 3.821 50 40 EHGB CCCC(O)(CCC)C(=O)NN=C(c1ccccc1)c1ccccc1 4976970 JTKNYFBQDJMONB-UHFFFAOYSA-N 338.451 3.887 50 40 EHGB O=C(CCl)/N=c1\sccn1Cc1ccc(Cl)cc1Cl 12487933 OYYOBWASUAPCJB-VBKFSLOCSA-N 335.643 3.571 50 40 EHGB COc1cc2c(cc1/C=C(/C#N)c1nc3ccc(C)cc3[nH]1)OCO2 35212089 URDIYVXBSSHOKJ-MLPAPPSSSA-N 333.347 3.673 50 40 EHGB N#CCn1cc(/C=N/NC(=O)c2ccccc2Cl)c2ccccc21 6816706 ZFVCXWHZHHUBDW-SRZZPIQSSA-N 336.782 3.582 50 40 EHGB C[C@@](CC(=O)Nc1ccc(SC#N)cc1)(C(=O)O)c1ccccc1 13253317 LLERNDGINBXCDQ-SFHVURJKSA-N 340.404 3.631 50 40 EHGB Cc1ccc(CC(=O)N/N=C\c2ccc(C)c(Br)c2)cc1 409366207 SYEAYJXWRYBLGP-ODLFYWEKSA-N 345.240 3.759 50 40 EHGB O=C(COc1cccc(Cl)c1)N/N=C\c1c(F)cccc1Cl 5568745 GAHRBNJUKVITHA-UWVJOHFNSA-N 341.169 3.662 50 40 EHGB O=C(CBr)c1cc(Cl)c(Br)cc1F 97437864 PGEXYCRYRNJKQF-UHFFFAOYSA-N 330.378 3.819 50 40 EHGB O=[P@@]1(N(CCCl)CCCl)N[C@@H](c2ccccc2)CCO1 1568152 ZQQQZXQFRYBOON-XCLFUZPHSA-N 337.187 3.625 50 40 EHGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])cc2c1 366195 XNNFUPYGAPNEGC-RGVLZGJSSA-N 348.362 3.524 50 40 EHGB COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CCl 8550801 XOXVKNMLSKDXEM-UHFFFAOYSA-N 337.828 3.996 50 40 EHGB COc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1 20248272 DJKNIPOPSUBUAX-XDHOZWIPSA-N 348.855 3.981 50 40 EHGB N#C/C(=C/c1csnn1)C(=O)Nc1ccc(Oc2ccccc2)cc1 40549479 GIABPKDCWDQATP-RAXLEYEMSA-N 348.387 3.876 50 40 EHGB CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccsc2)c1C 96669481 LJMOARYIYYGZDY-QPEQYQDCSA-N 328.393 3.660 50 40 EHGB O=C(N/N=C/c1c[nH]c2c1ccc1ccccc12)c1cccc(O)c1 3101477 KEPGLFHSFOMALX-WSDLNYQXSA-N 329.359 3.791 50 40 EHGB ClC[C@@H]1CN(c2ccccc2)[C@]2(O1)SCCN2c1ccccc1 252394526 ONQZXIGOGHWSKK-QZTJIDSGSA-N 346.883 3.995 50 40 EHGB Cc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Br)o1 54150 QJGOYRJOAYTISE-FLIBITNWSA-N 331.169 3.896 50 40 EHGB COc1ccc(NC2=N[C@@H]3CCC[C@@H](Br)[C@@H]3S2)cc1 5611652 OOJRPMYTTWBFHT-UPJWGTAASA-N 341.274 3.895 50 40 EHGB Cc1ccccc1C(=O)Nc1ccccc1C(=O)N/N=C\c1ccco1 5815678 UWQGYWQAAJESMT-BKUYFWCQSA-N 347.374 3.604 50 40 EHGB CCN(Cc1ccccc1)c1ccc(-c2noc(CCl)n2)cn1 98063845 GZWGWJICNWWABB-UHFFFAOYSA-N 328.803 3.897 50 40 EHGB COC(=O)/C(C#N)=C1\C=C(CC(SC)=C(C#N)C#N)CC(C)(C)C1 104834922 JPDLWEFCTLPRIT-FYWRMAATSA-N 341.436 3.780 50 40 EHGB CCCOc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1OCC 3084015 JSZVBRFGBYRPFX-RCCKNPSSSA-N 340.423 3.567 50 40 EHGB COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)c1 13897631 GPRZDBUYMFUFDJ-MHWRWJLKSA-N 336.391 3.866 50 40 EHGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cl)nc1Cl 97102591 MGMRNOXEKGKCAH-DHZHZOJOSA-N 348.189 3.943 50 40 EHGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1O[C@H](C)CC 409369574 POILWFTWWDBJFY-YHZJOHHESA-N 342.439 3.792 50 40 EHGB Cc1ccsc1/C=N/NC(=O)COc1ccc(C(C)(C)C)cc1 5982086 LWCOFFLYAZPKIE-YBFXNURJSA-N 330.453 3.883 50 40 EHGB C[C@@H](CC(=O)[C@@H]1[C@@H](C)C=CCC1(C)C)NNC(=O)c1ccccc1 12285116 VMCBOPPLRJUNNR-MPGHIAIKSA-N 328.456 3.507 50 40 EHGB CC[C@H](Nc1cccc(Cl)c1)C(=O)N/N=C/c1ccc(F)cc1 370106 FJQKFQJSNFZZNR-YODDIOPGSA-N 333.794 3.820 50 40 EHGB C/C(=N\NC(=O)[C@H](C)SCc1ccccc1)c1ccc(O)cc1 5362315 DQLUINWFDATISC-ITRAFESCSA-N 328.437 3.554 50 40 EHGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1O 12362498 UQUUDJVXKCAOTB-UDWIEESQSA-N 349.346 3.608 50 40 EHGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1O 15219773 FIUHBHMYCUZRRY-LCYFTJDESA-N 342.782 3.990 50 40 EHGB CCCCOc1ccc(/C=N/NC(=O)c2cccc(OC)c2)cc1 59445230 WTAUONMHVXPBJF-XSFVSMFZSA-N 326.396 3.638 50 40 EHGB N#C/C(=C/c1cc2ccccc2o1)C(=O)Nc1ccc(C(=O)O)cc1 98002273 KXMPFQOJDXTVDN-UVTDQMKNSA-N 332.315 3.677 50 40 EHGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OC 213433874 SUNCPYFJVCAGSS-UVTDQMKNSA-N 340.354 3.779 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)n2nc(C)cc2C)c2ccccc12 408979473 QWFOWZGQVOATTA-LFIBNONCSA-N 331.375 3.909 50 40 EHGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Cl)c1OCC 409369921 HPMQRIARSDDISV-NTEUORMPSA-N 348.830 3.667 50 40 EHGB Cc1cc(/C=N/NC(=O)c2ccccc2Br)cc(C)c1O 7894019 PHDMUHGBJTWGKE-GIJQJNRQSA-N 347.212 3.535 50 40 EHGB Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cccc2c1OCO2 40139667 HSDVSCVAQQBRIE-NTEUORMPSA-N 330.343 3.995 50 40 EHGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Cl 485242 WYIWNXFCRNLMHS-CAOOACKPSA-N 338.150 3.666 50 40 EHGB C/C(CC(=O)Nc1ccc(Cl)cc1C)=N\NC(=O)c1cccs1 5379221 PTLUZUGQFDLVPV-YBFXNURJSA-N 349.843 3.844 50 40 EHGB O=C(O)Cc1ccc(SSc2ccc(CC(=O)O)cc2)cc1 1555358 IMLDPTDOTIPGGL-UHFFFAOYSA-N 334.418 3.740 50 40 EHGB in-vitro CCC[C@@H](Br)C(=O)Nc1nc2ccc(OC)cc2s1 20132701 ALGMPJXIBGAKEL-SECBINFHSA-N 343.246 3.807 50 40 EHGB CCCCOc1ccccc1/C=N/NC(=O)[C@@H](C)Oc1ccccc1 23410732 MRFLXVYIBRDAED-GXPOEHQZSA-N 340.423 3.783 50 40 EHGB C[C@@H](NC(=O)/C(C#N)=C/c1cc(Cl)ccc1O)c1ccccc1 408800831 PQRZSIMFTJQOAA-KMHUVPDISA-N 326.783 3.830 50 40 EHGB C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)c1ccoc1C 4679848 PMOHCDJODOEJDL-KEBDBYFISA-N 347.802 3.684 50 40 EHGB CN(C)c1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1 7993673 PUQSWHWBQSKOQH-YBFXNURJSA-N 347.871 3.648 50 40 EHGB CC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccccc1F 188438 UJAMRWPIMHMSHA-SFHVURJKSA-N 334.350 3.634 50 40 EHGB CC12CC3(C)CC([C@@H](Cl)C(=O)O)(C1)CC([C@@H](Cl)C(=O)O)(C2)C3 5412129 USTSJYGYDXSYRI-CGLWWEMZSA-N 349.254 3.737 50 40 EHGB COc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(F)cc1 8523373 JVZBRGPTZRYQRM-LPYMAVHISA-N 336.366 3.680 50 40 EHGB N#C/C(=C\c1cccnc1)C(=O)Nc1ccc(SC(F)F)cc1 37858797 OHAATDBKCHHTIB-XYOKQWHBSA-N 331.347 3.942 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1 59921294 QXFFSRYWGYIIHR-SRZZPIQSSA-N 336.313 3.868 50 40 EHGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 408869622 STIRPDWVARSNPI-WHLRTTNFSA-N 335.791 3.525 50 40 EHGB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1 7168237 LLGWCJBBRARIMG-DTQAZKPQSA-N 334.375 3.806 50 40 EHGB CCOC(=O)/C(C#N)=C/c1cc2ccccc2nc1N1CCCCC1 12529711 HAFDMQYCXZVSSA-GHRIWEEISA-N 335.407 3.695 50 40 EHGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1 188133269 OHQRJDKNROAGQA-SSZFMOIBSA-N 335.407 3.784 50 40 EHGB Cn1c(SCCCCl)nnc1-c1cccc([N+](=O)[O-])c1Cl 228975690 VBRQMBGRCSSMED-UHFFFAOYSA-N 347.227 3.765 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)c(C)c1 408800317 LVYPCKYDYLGEDI-LFIBNONCSA-N 336.391 3.866 50 40 EHGB CCn1c(C)c(/C=N/NC(=O)Cc2ccc(OC)cc2)c2ccccc21 6946986 VRZAFDZATIWQDD-HYARGMPZSA-N 349.434 3.671 50 40 EHGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1C[C@@H]1CCCO1 7609387 VVOBPMLJHUPFTE-YWFITGJYSA-N 349.434 3.830 50 40 EHGB COc1ccc(/C(C)=N/NC(=O)c2cc(Cl)ccc2OC)cc1 370633 HQTSZYFWZYAARB-YBFXNURJSA-N 332.787 3.511 50 40 EHGB CC(=O)Nc1cccc([C@@H](C)NC(=O)NNc2ccccc2Cl)c1 45718820 FUQDVUGFVZRQFN-LLVKDONJSA-N 346.818 3.686 50 40 EHGB Cc1csc(/C(C#N)=C\c2ccc(OCCN3CCCC3)cc2)n1 48309981 ZABFHSQELMJYGT-ATVHPVEESA-N 339.464 3.990 50 40 EHGB CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(N)ccc21 8846185 MPSFVQKUYKVZDH-LJQANCHMSA-N 335.407 3.666 50 40 EHGB O=C(CSCc1cccc(Br)c1)NN=C1CCCC1 313940 BQJWSUCVMVHQSZ-UHFFFAOYSA-N 341.274 3.729 50 40 EHGB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc(F)c1)C(C#N)=C(N)O2 353603 LFUAHTSBDWDTGI-SFHVURJKSA-N 346.365 3.538 50 40 EHGB Cc1cc(OCC(=O)N/N=C\c2ccco2)c(C(C)C)cc1Cl 5697590 ATNPKIHFCCRMQN-OCKHKDLRSA-N 334.803 3.894 50 40 EHGB COc1ccc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc1 59503558 XYJXLQSDXRHSNF-RGVLZGJSSA-N 342.464 3.696 50 40 EHGB CN(C)c1ccc(/C=C/C=N/NC(=O)c2ccc(Cl)cc2)cc1 409190517 PBTGAHZQEWTZBV-LLDJEOIGSA-N 327.815 3.835 50 40 EHGB COc1cccc(/C=C(/C#N)c2ccc(F)cc2)c1O[C@@H](C)C(=O)O 409240196 FUFUMYHNRLGBHD-GQVHDAKQSA-N 341.338 3.750 50 40 EHGB Cc1c(C(=O)NNc2ccccc2[N+](=O)[O-])oc2ccc(F)cc12 15423220 SWOKOKLXLQYBHI-UHFFFAOYSA-N 329.287 3.545 50 40 EHGB Cc1ccc(-c2cc(C(=O)NNC(=O)C(C)C)c3ccccc3n2)cc1 17198070 CGNQMXJSTSXCKY-UHFFFAOYSA-N 347.418 3.627 50 40 EHGB CC(=O)O[C@H](/C(O)=C(\C#N)c1nc2ccccc2[nH]1)c1ccccc1 101766133 DVHVYQLERBXDRF-DNKLCNGGSA-N 333.347 3.660 50 40 EHGB C/C(N)=C(\C#N)C(=O)CSc1cc(C)c2cc(C)cc(C)c2n1 104873368 VSFPNYLLNLGKIB-SQFISAMPSA-N 325.437 3.578 50 40 EHGB C/C(=N\NC(=O)c1ccc(O)cc1O)c1ccc(Cl)cc1Cl 4482089 TVJKPCYHPYVGPY-QGMBQPNBSA-N 339.178 3.559 50 40 EHGB N#C/C(=C\c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 5772028 WENJEQYUHBGYEQ-XYOKQWHBSA-N 327.727 3.794 50 40 EHGB Nc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccccc1 7094814 ANWQKULXNRWPPE-OEAKJJBVSA-N 345.402 3.612 50 40 EHGB CCOc1ccc(/C=C(\C#N)C(=O)N2CCc3sccc3C2)cc1 26709175 BUAMKQXXKMPCMY-LFIBNONCSA-N 338.432 3.639 50 40 EHGB Cc1cc2c(cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1)OCO2 408987881 ZJXHNLWJBBTROT-NTUHNPAUSA-N 340.766 3.923 50 40 EHGB CC[C@H]1CCC/C1=N\NC(=O)CCC(=O)Nc1ccccc1Cl 12404038 PFONKMQGMFULGE-XGERHETISA-N 335.835 3.741 50 40 EHGB Cc1ccccc1CN1C(=O)C(=C(C#N)C#N)c2cc(Cl)ccc21 1320700 HMYPWCJAESDFQO-UHFFFAOYSA-N 333.778 3.996 50 40 EHGB C/C(=N\NC(=O)CSc1ccccn1)c1ccc2ccccc2c1 4869546 KPTCPDHZZUXLSP-KGENOOAVSA-N 335.432 3.867 50 40 EHGB C/C(=N\NC(=O)c1cc2c(s1)CCCCC2)c1scnc1C 96297823 PZMAGOSGHPNWJI-WOJGMQOQSA-N 333.482 3.936 50 40 EHGB O=C(N/N=C\c1cccn1-c1ccc(Cl)cc1)c1ccccc1O 408817277 VSKVCUZBWKFXGE-NDENLUEZSA-N 339.782 3.600 50 40 EHGB COc1ccc(-n2cccc2/C=N\NC(=O)Nc2ccc(C)cc2)cc1 408953891 QLLAIEJTFKFFAQ-STZFKDTASA-N 348.406 3.950 50 40 EHGB CCCCOc1ccc(/C=N\NC(=O)c2ccccc2)cc1OC 33583965 FQXUTJFDESASLY-ZHZULCJRSA-N 326.396 3.638 50 40 EHGB CC(C)(C)[Si](C)(C)OC1(CCN2CCC(C(N)=O)CC2)CCC1 585136210 WFMVXLTUVPDYDM-UHFFFAOYSA-N 340.584 3.518 50 40 EHGB C[C@@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(F)cc1 131545 OVEHUQWACNQNJF-CYGNYLSHSA-N 335.382 3.930 50 40 EHGB CCn1c(C)c(/C=N/NC(=O)c2ccccc2OC)c2ccccc21 169878406 OZXJQTPUHABGMH-FYJGNVAPSA-N 335.407 3.742 50 40 EHGB CCOc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 96359 LPKCEIVINATHOU-KRWDZBQOSA-N 338.407 3.536 50 40 EHGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2cc(C)ccc2O)cc1 4827693 FPGZPNAEPMLSBD-RANIVTSPSA-N 340.423 3.743 50 40 EHGB COC(=O)/C(C#N)=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 6637509 QLAZLDHLBNCZFM-XYOKQWHBSA-N 342.282 3.606 50 40 EHGB CC1=C(C#N)C(=O)NC(=O)/C1=C\c1c2ccccc2cc2ccccc12 13584186 QNKDXSKSOSMRQX-WQRHYEAKSA-N 338.366 3.873 50 40 EHGB CN(C)c1cc(C(=O)NN(c2ccccc2)c2ccccc2)ccn1 69557501 RCMFVZFZMHYRMT-UHFFFAOYSA-N 332.407 3.631 50 40 EHGB Cc1cc(C)c(OCC(=O)N/N=C2\C[C@H]3CC[C@H]2C3(C)C)c(C)c1 408957580 VDFVCVDXLDVYJL-NDGNEDBOSA-N 328.456 3.919 50 40 EHGB O=C(CCCC[C@H]1CCSS1)N1[C@H]2CC[C@H]1c1cncnc1C2 1521772612 ARTJIFIBNNDKPE-XEZPLFJOSA-N 349.525 3.779 50 40 EHGB CCOc1ccccc1NC(=O)/C(C#N)=C/c1c(F)cccc1F 3304544 GQYKKTKXYSOAMS-ZRDIBKRKSA-N 328.318 3.909 50 40 EHGB Cc1nn(C)c(C)c1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 17072346 NCNXERQSSOLMOL-KPKJPENVSA-N 348.328 3.601 50 40 EHGB COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc(OC)c1 23218024 NFOUTYVSMKKDJR-VGOFMYFVSA-N 332.359 3.975 50 40 EHGB O=C(N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21)c1ccncc1 33669056 VKUGVGABPFGOCN-SEDGDDRASA-N 343.386 3.740 50 40 EHGB Cc1ccc(N2C=C(C#N)S(=O)(=O)c3ccccc32)c(Cl)c1 38488013 WFVDXRWPIBGMBR-UHFFFAOYSA-N 330.796 3.939 50 40 EHGB CC(C)(C)C(=O)NNC(=O)Nc1cccc(Oc2ccccc2)c1 95982986 MRAKAYXQFSQXCI-UHFFFAOYSA-N 327.384 3.678 50 40 EHGB CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@@](CO)(OO)C3 2332242403 OIWDBCFCWVUPFM-WXGLRWSMSA-N 336.472 3.819 50 40 EHGB CC(C)OC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 173381 UIIZWGVKZDOLOD-UKTHLTGXSA-N 326.308 3.713 50 40 EHGB O=S(=O)(c1ccccc1)[C@@H](Br)c1ccc(F)cc1 6575504 DGLRDTDKYRJDDH-CYBMUJFWSA-N 329.190 3.693 50 40 EHGB O=C1OC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)c3cccc1c23 100494946 TXNRULMZKMNNIQ-UHFFFAOYSA-N 342.310 3.867 50 40 EHGB Cc1nc2c(C)cccc2cc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 366273 APLIOLSIBKIUEO-RGVLZGJSSA-N 348.362 3.524 50 40 EHGB COc1cc(C(=O)N/N=C2\C=C(C)CC(C)(C)C2)cc(OC)c1OC 33777852 TVSFVURMXLBKJA-XSFVSMFZSA-N 346.427 3.565 50 40 EHGB COc1ccc([C@@H]2[C@@H]3CCCCC=C3C(N)=C(C#N)C2(C#N)C#N)cc1 5817923 LFCXJLLCFZUGQB-VQIMIIECSA-N 344.418 3.679 50 40 EHGB O=C(N/N=C/c1ccccc1Cl)c1cc2cc([N+](=O)[O-])ccc2o1 408960923 JLZORSHNGHUUGJ-GIJQJNRQSA-N 343.726 3.758 50 40 EHGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408888190 XTVDZRBGOLLQSX-YRNVUSSQSA-N 345.717 3.933 50 40 EHGB Cc1nc(C(=O)N2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)c(C)o1 585088369 YGKXFSWAOCKBIV-CQSZACIVSA-N 338.524 3.918 50 40 EHGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc3ccccc23)c(C)c1 3061076 LHLLLUDSTVEHPC-LPYMAVHISA-N 345.402 3.545 50 40 EHGB C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)c1ccccc1Cl 101633032 XAHPABVFEVTFAV-SRZZPIQSSA-N 347.777 3.614 50 40 EHGB Cc1nc(S[C@H](C)C(=O)C(C#N)=C2Nc3ccccc3N2)oc1C 102171797 YRJQTUYMPYFMEW-LLVKDONJSA-N 340.408 3.614 50 40 EHGB COc1ccccc1/C=N/NC(=O)[C@H](C)Sc1ccc(Cl)cc1 59473632 JQOIJWYDHOYMGH-MKFNJMOCSA-N 348.855 3.980 50 40 EHGB C=CCOc1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1 59474252 BAADPOOGRWHOEB-HMMYKYKNSA-N 340.448 3.884 50 40 EHGB COc1ccc(-c2nc3cc(C)ccc3o2)cc1NC(=O)CCl 216859485 OUVIFKUGJXADTC-UHFFFAOYSA-N 330.771 3.989 50 40 EHGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC 216034575 DVVVVUQLBAWLTM-WJDWOHSUSA-N 336.391 3.948 50 40 EHGB C/C(=N\NC(=O)Cc1cccs1)c1ccc(Br)cc1 5024930 OGURMUWDUATIQW-MHWRWJLKSA-N 337.242 3.594 50 40 EHGB C[C@@H](CC(=O)[C@H]1[C@@H](C)C=CCC1(C)C)NNC(=O)c1ccccc1 1823809 VMCBOPPLRJUNNR-RLFYNMQTSA-N 328.456 3.507 50 40 EHGB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N/N=C/c1ccccc1F 5003779 FKTAOUGCEILMEG-IHPHUXLYSA-N 329.202 3.867 50 40 EHGB CCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc1 20248686 DFLKVJJQDCXTOU-NFECSFHCSA-N 328.437 3.716 50 40 EHGB COc1cccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@@H](C)C[C@@H]32)c1 20459324 KSOFNDIJZOZFHT-ACWOFJMJSA-N 344.418 3.535 50 40 EHGB COC(=O)c1cccc2oc3ccc(CBr)cc3c(=O)c12 21986433 LHBJPCIITXZLEW-UHFFFAOYSA-N 347.164 3.628 50 40 EHGB COc1cccc(SCC(=O)C(C#N)=C2Nc3ccccc3N2)c1 31817358 OILUDFSTDQPJMK-UHFFFAOYSA-N 337.404 3.629 50 40 EHGB Cc1cc(N2CCCC2)c(F)cc1/C=N\NC(=O)Nc1ccccc1 33596593 UVSJARHDDNMWOV-BKUYFWCQSA-N 340.402 3.890 50 40 EHGB FC(F)(F)[C@H](I)CC(F)(F)C(F)(F)F 100045296 VMLCHUYCGAPWOJ-UWTATZPHSA-N 341.967 3.940 50 40 EHGB in-vitro C=C(C)C(=O)NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C 196724193 CJPVHKFBUGKBAN-UHFFFAOYSA-N 347.680 3.844 50 40 EHGB CC(=O)O[C@@H]1C[C@](F)(C(F)(F)F)[C@@](F)(C(F)(F)F)C[C@@H]1Cl 227002670 NSDMPHHLQXQISE-LXGUWJNJSA-N 348.617 3.861 50 40 EHGB CCOc1ccccc1/C=N/NC(=O)CNc1cccc2ccccc12 238115 SFGOZHNNSSCBCZ-OEAKJJBVSA-N 347.418 3.801 50 40 EHGB O=C(/C=C/c1cccs1)NNC(=O)c1ccc(Cl)cc1Cl 511787 SHWRCJOTSIFKMZ-GQCTYLIASA-N 341.219 3.529 50 40 EHGB N#CC1=C(N)OC(/C=C/c2ccccc2)=C(C#N)[C@H]1c1ccccc1 1612258 FQTXMNYLIJKFRA-YVNCXZRQSA-N 325.371 3.985 50 40 EHGB O=C(CC1CCCCC1)NNC(=O)c1ccc(Cl)cc1Cl 4553336 JIQYVPMUVNCNSE-UHFFFAOYSA-N 329.227 3.725 50 40 EHGB O=C(N/N=C(\c1ccccc1)c1ccncc1)[C@@H]1C[C@@H]1c1ccccc1 5489892 ZBQFQKWHCDKTIV-OJMCFHKUSA-N 341.414 3.754 50 40 EHGB Cc1cc(C)nc(NNC(=O)c2ccccc2CCc2ccccc2)n1 12552398 RCZBJCKIADASPG-UHFFFAOYSA-N 346.434 3.636 50 40 EHGB BrCc1cc(Br)cc(CBr)n1 80816885 RKMBLYCYGXVKRO-UHFFFAOYSA-N 343.844 3.634 50 40 EHGB CCOC(=O)/C(C#N)=C\c1ccc(-c2cccc([N+](=O)[O-])c2C)o1 252494190 NNQQUKXMGIDYPU-XFXZXTDPSA-N 326.308 3.633 50 40 EHGB Cc1ccc(-n2nc(C(=O)NN)cc2-c2ccc(C(C)C)cc2)cc1 59472506 RSSTURODOXQTDO-UHFFFAOYSA-N 334.423 3.575 50 40 EHGB C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccccc1Cl 1020980 URFVZIXSZLMKIF-VURRPDKYSA-N 337.206 3.911 50 40 EHGB Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(-n2cncn2)c(F)c1 44028330 XUSGVAPQUOILGU-MLPAPPSSSA-N 338.367 3.566 50 40 EHGB C[C@@H]1CCc2sc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])cc2C1 3396702 OSACKSLOWNZOBW-VDCVXVNISA-N 343.408 3.545 50 40 EHGB C#CCOc1cccc(/C=N\NC(=O)c2cccc3ccccc23)c1 408567411 MWJNAKBVTXSYSQ-JCMHNJIXSA-N 328.371 3.616 50 40 EHGB C/C(=N\NC(=O)c1cc2c(s1)CCCC2)c1cccc([N+](=O)[O-])c1 13145428 YVCSUUNBVOKCQU-WOJGMQOQSA-N 343.408 3.689 50 40 EHGB CC(C)(C)OC(=O)N/N=C/c1cc(Br)cc(Cl)c1O 4591379 XUEHRCROYPCTNM-GIDUJCDVSA-N 349.612 3.667 50 40 EHGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)OC)cc2)cc1 5911447 UECJNRCSEPMJRM-ATVHPVEESA-N 334.375 3.581 50 40 EHGB O=C(CSCc1ccc([N+](=O)[O-])cc1)NN=C1CCCCCC1 233596 JKKKSDYCZFVNPE-UHFFFAOYSA-N 335.429 3.654 50 40 EHGB CCOC(=O)C1=C(c2ccccc2)O/C(=C(/C#N)C(F)(F)F)S1 521954 XYSDWCDTJKHDGV-GXDHUFHOSA-N 341.310 3.979 50 40 EHGB CC[C@H](Nc1ccc(OC)cc1)C(=O)N/N=C(\C)c1ccc(C)cc1 5737177 NVGBOKGNNSZOAP-OMNSNBSWSA-N 339.439 3.735 50 40 EHGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccco3)o2)c([N+](=O)[O-])c1 408718776 IFPBCQFCFHMCFD-VCHYOVAHSA-N 339.307 3.520 50 40 EHGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(N(C)C)cc1 5330387 SJCBAZJXSHUHBZ-OOWUWCJESA-N 341.480 3.525 50 40 EHGB C/C=C1/C[N+]2(CCC)CC[C@@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 5655760 NNGQLOSIKGOGJJ-MGBDICQTSA-O 335.471 3.782 50 40 EHGB Cc1cc(Br)cc(Br)c1OCC(=O)Cl 6188942 KTIKNQBPSICEHJ-UHFFFAOYSA-N 342.414 3.664 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2O)cc1 6656741 HTQLITAPZDQMQQ-FYJGNVAPSA-N 334.375 3.708 50 40 EHGB CC(C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)s1 23390223 HZVWVMXSFPQRRE-UKTHLTGXSA-N 341.392 3.755 50 40 EHGB COc1ccc(CCCC(=O)N/N=C/c2sccc2C)c(C)c1 408913709 UASVOLCUPHBVAZ-XDHOZWIPSA-N 330.453 3.847 50 40 EHGB O=S(=O)(N[C@H]1CCCC[C@H]1Cl)c1ccc(Cl)cc1Cl 8377195 ADCGQSSWGFRYNE-KOLCDFICSA-N 342.675 3.822 50 40 EHGB Cc1nc(CC(=O)NN(Cc2ccccc2)c2ccccc2)cs1 32255397 QUEWCACOCYNDQO-UHFFFAOYSA-N 337.448 3.732 50 40 EHGB N#C/C(=C\Nc1ccc(Br)cc1)C(=O)Nc1ccccc1 57414024 FDDATYZXQKPXNJ-VAWYXSNFSA-N 342.196 3.907 50 40 EHGB Cc1ccn2c(C(=O)N/N=C\c3ccc(C(C)C)cc3)c(C)nc2c1 59515850 RRTTVKGODALHSO-MTJSOVHGSA-N 334.423 3.838 50 40 EHGB NNC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 216815491 RBLVPVBHGHLGTB-UHFFFAOYSA-N 345.613 3.829 50 40 EHGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC 408743463 FYJHLCGNRCOTNH-ATVHPVEESA-N 346.386 3.561 50 40 EHGB C/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1cc(O)ccc1O 103764973 DMCKAJRNQWLHNV-HYARGMPZSA-N 346.386 3.919 50 40 EHGB CC(=O)Nc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1 2634720 NQTCGXIHWSJXLS-GZTJUZNOSA-N 333.391 3.808 50 40 EHGB Cc1scc(C(=O)NN=C2CCN(Cc3ccccc3)CC2)c1C 55048421 CTANBXGGZYRGHV-UHFFFAOYSA-N 341.480 3.747 50 40 EHGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1O 408735044 MSLNGLWKGOBFNE-XYOKQWHBSA-N 328.755 3.600 50 40 EHGB COc1ccc(-c2cc3c(c4cc(OC)ccc24)C(=O)OC3=O)cc1 73332663 JIMFAGSCHPUYMP-UHFFFAOYSA-N 334.327 3.835 50 40 EHGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1OC 48287372 FLUQJXOYNRAXLJ-UVTDQMKNSA-N 340.354 3.779 50 40 EHGB C[C@](F)(CBr)c1ccc(I)cc1 91355891 HDQIQCMEONAWRQ-VIFPVBQESA-N 342.977 3.871 50 40 EHGB C/C(=N\NC(=O)c1ccc(C)cc1)c1cccc(Br)c1 13958294 DAWSGLNFVQSSJW-LDADJPATSA-N 331.213 3.912 50 40 EHGB C/C=C1/C[N@@+]2(CCC)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 254308809 NNGQLOSIKGOGJJ-CZHIQXMHSA-O 335.471 3.782 50 40 EHGB biogenic O=C(N/N=C/c1ccc(Br)cc1)c1ccc(Cl)cc1 28167 ONOUNRGQYYKVOJ-RQZCQDPDSA-N 337.604 3.866 50 40 EHGB O=C(N/N=C/c1c(F)cccc1Cl)c1ccc(Br)o1 368592 CWLMIWNABZPAPO-OMCISZLKSA-N 345.555 3.599 50 40 EHGB Cc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1C(=O)Cl 2170065 JOAKJQHALCTWCT-UHFFFAOYSA-N 335.233 3.922 50 40 EHGB O=C(NNC(=S)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 3078965 DRVKOSNMACPDFD-UHFFFAOYSA-N 340.235 3.995 50 40 EHGB COc1ccc(C2=CC(=C(C#N)C#N)c3cc4c(cc3O2)OCO4)cc1 5957802 OZOQBLSPAABMOC-UHFFFAOYSA-N 344.326 3.658 50 40 EHGB CCOc1ccccc1NC(=O)/C(C#N)=C/c1c(C)nc2ccccn12 13135334 AYQBOXRTCHTKLV-NTCAYCPXSA-N 346.390 3.587 50 40 EHGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)c(O)c(C)c2)c1 34689830 WURAMTNYPBUXKS-YBEGLDIGSA-N 336.391 3.953 50 40 EHGB Clc1cccc(I)c1CBr 116707072 CDASKTNKXJMYDX-UHFFFAOYSA-N 331.378 3.840 50 40 EHGB Cc1c(/C=N\NC(=O)c2cccc(Cl)c2)c2ccccc2n1C 408855181 DDPZFRYQXFVPPQ-JAIQZWGSSA-N 325.799 3.904 50 40 EHGB C=C(CNNC(=O)OC(C)(C)C)c1ccc(F)c(C(F)(F)F)c1 1615787122 ASVJRBGWLUEKJU-UHFFFAOYSA-N 334.313 3.887 50 40 EHGB COc1ccc2nc(/C(C#N)=C\c3cc4c(cc3C)OCO4)[nH]c2c1 409393036 URWOMDBJGYIQOR-MLPAPPSSSA-N 333.347 3.673 50 40 EHGB C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(F)cc1 131540 OVEHUQWACNQNJF-KOUDTOEKSA-N 335.382 3.930 50 40 EHGB COc1ccc([N+](=O)[O-])cc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1 8159660 ZWDMHHINFWSMCX-JYRVWZFOSA-N 325.280 3.576 50 40 EHGB Cc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)s1 34389065 QFTCMOLMYYEPBA-GDNBJRDFSA-N 335.432 3.804 50 40 EHGB CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 268051 PCXNEFGLZKPDFG-JXMROGBWSA-N 346.726 3.978 50 40 EHGB O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(Br)cc1 3152223 NRRYMIGQWKYUQG-RQZCQDPDSA-N 337.604 3.866 50 40 EHGB COc1ccc(C)c2sc(NNC(=O)c3ccc(F)cc3)nc12 4121468 MQCHNQBEAKTUTL-UHFFFAOYSA-N 331.372 3.509 50 40 EHGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1 6209363 CCYQIGDKWLBVOU-NTUHNPAUSA-N 342.782 3.903 50 40 EHGB COc1cc(/C=C(\C#N)C(N)=S)ccc1OCc1ccccc1F 108981136 YGYHGCVBBJDRNV-RIYZIHGNSA-N 342.395 3.606 50 40 EHGB N#CC1=C(N)OC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccccc1 477586 UAOADYASEAREGY-SCLBCKFNSA-N 348.427 3.957 50 40 EHGB O=C(N/N=C/c1cccc(OC(=O)c2ccccc2)c1)c1ccccc1 1472536 GDIOHOWWHSZPMH-PXLXIMEGSA-N 344.370 3.670 50 40 EHGB COc1ccc(C=C(C#N)C#N)cc1Oc1nc(Cl)ncc1F 4535483 ICUOGDXSIKXGSH-UHFFFAOYSA-N 330.706 3.501 50 40 EHGB CCOc1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)c(OCC)c1 409059181 UWKHGDWDDKYVDH-TVQWHERSSA-N 344.455 3.760 50 40 EHGB CC(C)(C)c1[nH]nc2c1[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 4721654 LMESIRCRSIDNSV-GFCCVEGCSA-N 328.803 3.579 50 40 EHGB O=C1[C@H](Cl)N(c2ccc([N+](=O)[O-])cc2)[C@H]1c1c[nH]c2ccccc12 5594155 PYJHBQWXRZSGTI-DOTOQJQBSA-N 341.754 3.771 50 40 EHGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)c3ccncc3)cc21 208455425 KZLOADGHHNEWIE-YDZHTSKRSA-N 348.450 3.786 50 40 EHGB CC(C)Oc1ccc(C(=O)/C(C#N)=C2\Nc3ccccc3N2C)cc1 100816071 UUEXEIPIPMAINH-CAPFRKAQSA-N 333.391 3.954 50 40 EHGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 6453683 ZLKCEKDBDHGIRS-AUWJEWJLSA-N 340.335 3.685 50 40 EHGB CC(C)NC(=O)/C(C#N)=C\c1ccccc1OCc1cccc(F)c1 6827630 PXDCGXOZWKPSLR-BOPFTXTBSA-N 338.382 3.836 50 40 EHGB Cc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 504721 HLXJFIVDQCPCNE-KEBDBYFISA-N 330.815 3.794 50 40 EHGB O=C(N/N=C1/CCn2cccc21)c1ccc(-c2ccc(F)cc2)s1 84494359 ZFWHIIKUFYGDFJ-ZHZULCJRSA-N 339.395 3.894 50 40 EHGB COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(SC#N)c1O 409040057 FKYCYZOXJPDSBZ-SDQBBNPISA-N 348.387 3.914 50 40 EHGB O=C(N/N=C/c1cnc(N2CCCCC2)s1)c1ccc(Cl)cc1 1386473 BXAPMVCILZEKLM-YBFXNURJSA-N 348.859 3.551 50 40 EHGB CCOc1ccc(/C(C)=N\NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 13618635 LMTNXKNIKNBHKS-STZFKDTASA-N 348.406 3.629 50 40 EHGB O=C(N/N=C/c1cccc(Cl)c1)c1cc(-c2cccs2)n[nH]1 72529 FHGHBAZELYULCP-RQZCQDPDSA-N 330.800 3.556 50 40 EHGB Cc1cc(C(=O)NNC(=O)/C=C/c2cccc3ccccc23)c(C)o1 10369450 QRHLXAQVVULPQZ-ZHACJKMWSA-N 334.375 3.524 50 40 EHGB CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2cccs2)c1C 96669471 VBUVUICZEOQAGS-WQLSENKSSA-N 328.393 3.660 50 40 EHGB CCn1c(C)cc(/C=N\NC(=O)COc2cccc3ccccc23)c1C 409073357 YGYQTNLPEPKYAE-XKZIYDEJSA-N 349.434 3.807 50 40 EHGB F[C@@H](C(F)(F)F)C(F)(F)OC[C@@H](Br)C(F)(F)F 1083807969 LXKFPDAJPPGHIR-GBXIJSLDSA-N 342.983 3.822 50 40 EHGB CCNC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2)o1 27025000 DTPLOYHXPKVYSB-XFXZXTDPSA-N 345.196 3.752 50 40 EHGB CCOc1cccc(/C=N/NC(=O)COc2ccc3ccccc3c2)c1 355823 JRVBUFUYAGVESE-HYARGMPZSA-N 348.402 3.768 50 40 EHGB CCOC(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 3148493 WPDYFIWYDPOOTP-YBFXNURJSA-N 332.787 3.999 50 40 EHGB C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1ccco1 4738036 ZXDOCBCPCRMPSH-RQZCQDPDSA-N 327.167 3.506 50 40 EHGB C[C@H](C(=O)Cl)n1nc(C(F)(F)F)c(Br)c1C1CC1 12357636 SETZAPQZAMNLKR-SCSAIBSYSA-N 345.546 3.868 50 40 EHGB NNC(=O)c1nc(-c2ccccc2)oc1Sc1ccc(Cl)cc1 41154323 CFFPXZAWVFMEEN-UHFFFAOYSA-N 345.811 3.750 50 40 EHGB O=[N+]([O-])c1cc(Br)c(CBr)cc1Cl 97447199 JNFKGIGDWZCINH-UHFFFAOYSA-N 329.375 3.906 50 40 EHGB C[C@@H]1Cc2cc(/C=N\NC(=O)c3cccc(C(F)(F)F)c3)ccc2O1 408710762 JOUMIEDFUDVGCZ-FEJWEZRGSA-N 348.324 3.793 50 40 EHGB C#CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)c1 408942241 YKSBXZBNVKWANF-LGMDPLHJSA-N 346.386 3.643 50 40 EHGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC(C)C)o2)cc1 4502694 BIWFBPANRNWKGF-UDWIEESQSA-N 342.395 3.620 50 40 EHGB O=C(N/N=C\C=C\c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 4775417 HEPHPUJKAXSKJR-SFHDDKPDSA-N 329.743 3.677 50 40 EHGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1O 408745450 MKFLYGNKWLUNGR-VBKFSLOCSA-N 334.375 3.675 50 40 EHGB O=C(CCCC[C@@H]1CCSS1)NCc1nc2ccccc2[nH]1 41948298 MBYXPDHBERPQLA-GFCCVEGCSA-N 335.498 3.893 50 40 EHGB Cc1ccccc1-c1noc(/C(C#N)=C\c2ccc3c(c2)OCCO3)n1 72141346 VKQJINJXTLYWDJ-GDNBJRDFSA-N 345.358 3.880 50 40 EHGB N#Cc1ccc(-c2ccc(/C=N\NC(=O)Cc3ccc(F)cc3)o2)cc1 409233873 IFVKBIBRIQWYJX-QRVIBDJDSA-N 347.349 3.650 50 40 EHGB CC(C)=C[C@H]1[C@@H](C(=O)NNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C1(C)C 17322327 UDEJFMBJNZQIFL-FZKCQIBNSA-N 332.488 3.611 50 40 EHGB O=C(N/N=C\c1ccc(-c2ccc(F)cc2F)o1)c1ccccc1O 209076688 SKQZTEPXIVWXJF-FBHDLOMBSA-N 342.301 3.694 50 40 EHGB COC(=O)[C@H](c1ccccc1)[C@@H](Br)C(=O)c1ccccc1 1669459 NHCIONQNUCGXOA-HUUCEWRRSA-N 347.208 3.590 50 40 EHGB Cc1cc(C)c2c3c(c(=O)oc2c1)[C@@H](c1ccccc1)C(C#N)=C(N)O3 104765949 QYAXXIQTGBUUSD-KRWDZBQOSA-N 344.370 3.628 50 40 EHGB CCOc1cccc(/C=N\NC(=O)c2ccc(Br)cc2)c1 408591916 WKECPCKOMASORS-WQRHYEAKSA-N 347.212 3.612 50 40 EHGB Cn1c(/C(C#N)=C\c2ccc(O)c(Cl)c2)nnc1-c1ccccc1 65565126 DSQIRBHZQZQKGB-ZROIWOOFSA-N 336.782 3.905 50 40 EHGB COc1ccc(Cl)cc1/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@H]1C 408818983 WBNIVNJFAJXQOT-SYLKQSLASA-N 332.831 3.950 50 40 EHGB C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1CC 408868895 PUNWRMHOOPQLAQ-NBVRZTHBSA-N 330.387 3.807 50 40 EHGB CCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)cc1 516744 PSJGSZGHOVSFNH-FYJGNVAPSA-N 340.423 3.738 50 40 EHGB N#C/C(=C\c1ccccc1)C(=O)Nc1cccc(Br)c1 141123 AWMXRUXYOYPVTQ-UKTHLTGXSA-N 327.181 3.995 50 40 EHGB N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1cccc(Cl)c1 5130834 BPWIRTBMBSZDFI-HNNXBMFYSA-N 348.793 3.948 50 40 EHGB CCCC[C@@H](/C=N/NC(=O)C(=O)N/N=C\[C@H](CC)CCCC)CC 17314686 WSYPLYFUPPXGPJ-QQQMHWQSSA-N 338.496 3.623 50 40 EHGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1c[nH]c2ccccc12 369965 KMZGRXRUAKBEKH-LSFURLLWSA-N 331.297 3.951 50 40 EHGB Cc1ccccc1C(=O)NNC1=C(C(=O)C(F)(F)F)CCCCC1 59489002 WAFOEYANIVPVSD-UHFFFAOYSA-N 340.345 3.579 50 40 EHGB CN(C)C(=O)/C(C#N)=C\c1ccc(-c2cccc(Br)c2)o1 59334577 PWLPITILYZOGMX-XFXZXTDPSA-N 345.196 3.704 50 40 EHGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1 409051548 BAYBHFAKAWEZQH-UDWIEESQSA-N 328.799 3.977 50 40 EHGB O=C(NN=C1CCCC1)c1ccccc1OCCOc1ccccc1 5020055 DKQJICOIDAGRPN-UHFFFAOYSA-N 338.407 3.804 50 40 EHGB Cc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)cc1 4652438 HMBOFMDBVFRZTJ-KDVQLTRESA-N 334.375 3.508 50 40 EHGB Cc1ccc(C(=O)N/N=C/c2ccc(C)c(Br)c2)cc1 409364608 ODCJKUQCAJYQLI-VCHYOVAHSA-N 331.213 3.830 50 40 EHGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1 3616488 DGJRXXHJYMNSOW-XYOKQWHBSA-N 327.727 3.794 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)c(OCC)c1 33140 NFKXGZJDWVDWIL-UDWIEESQSA-N 346.814 3.901 50 40 EHGB O=C(NN=C1C2CC3CC(C2)CC1C3)c1ccc(Br)cc1 484743 ASJVJFQXAQMIFB-UHFFFAOYSA-N 347.256 3.991 50 40 EHGB CC1(C)Oc2ccc3ccc(=O)oc3c2C(C=C(C#N)C#N)=C1Cl 811649 ZSDKZUZEUDJEAQ-UHFFFAOYSA-N 338.750 3.887 50 40 EHGB Cc1ccc(C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 5618272 SEWCPLDTUUYRAZ-UDWIEESQSA-N 339.395 3.965 50 40 EHGB N#C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(O)cc1 6321789 VXXMBOBCPSBYMX-XFXZXTDPSA-N 332.281 3.957 50 40 EHGB CC1=C(C=O)C[C@@H]2[C@@](C)(CCC3=CC(=O)O[C@@H]3O)[C@H](C)CC[C@@]12C 13300838 NZIQEPLIKSMSRT-AZZUOYNISA-N 332.440 3.546 50 40 EHGB biogenic CC/C=N/NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 32578437 KZTPQGIEGBCPCG-ZVBGSRNCSA-N 347.374 3.756 50 40 EHGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc2ncccc2c1 408965091 GKZMXACGXWBWQY-WQRHYEAKSA-N 344.418 3.638 50 40 EHGB Cc1cccc(C)c1NC(=O)NNC(=O)Nc1c(C)cccc1C 601014391 IHMIGBJIBBSLRR-UHFFFAOYSA-N 326.400 3.778 50 40 EHGB CCc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc1 477762 SFZCESBGRIETJR-HNNXBMFYSA-N 348.431 3.919 50 40 EHGB COc1ccc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1Cl 20195466 PJYHUEBPJWLMFN-RGVLZGJSSA-N 330.815 3.658 50 40 EHGB Cc1ccc(OCC(=O)N/N=C/c2ccc3ccccc3c2)c(C)c1 3101564 VIEAVLGJSQERFY-LPYMAVHISA-N 332.403 3.986 50 40 EHGB COc1ccc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)cc1[N+](=O)[O-] 4726056 QGCQODLBBKBMIA-MDWZMJQESA-N 334.335 3.852 50 40 EHGB CCCc1n[nH]c2c1[C@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2 8973100 WBOJNBASJDGWAW-GFCCVEGCSA-N 349.221 3.887 50 40 EHGB Cc1ccc(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1 11296484 IEEYBRFGKIEYOL-RVDMUPIBSA-N 328.379 3.570 50 40 EHGB CCO[P@@](=O)(CCBr)Oc1ccc([N+](=O)[O-])cc1 1719974 GFVULOZWFUIVMT-SFHVURJKSA-N 338.094 3.598 50 40 EHGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1 261784 IQSXBSDAPAKANC-CAOOACKPSA-N 338.150 3.666 50 40 EHGB CCOC(=O)N/N=C/c1cn(Cc2ccccc2F)c2ccccc12 519950 VGYLZUYWCFPFLZ-SRZZPIQSSA-N 339.370 3.909 50 40 EHGB c1ccc(P2(c3ccccc3)(c3ccccc3)OC[C@@H]3C[C@@H]32)cc1 104194419 UJKFVUCNFVDYSE-AVRDEDQJSA-N 332.383 3.850 50 40 EHGB CC(C)c1[nH]nc2c1[C@H](c1ccccc1C(F)(F)F)C(C#N)=C(N)O2 4165712 LINWKUMBXGADBO-GFCCVEGCSA-N 348.328 3.770 50 40 EHGB Cc1csc(S[C@@H](C)C(=O)C(C#N)=C2Nc3ccccc3N2)n1 7816619 LWNXCFPYZSHSAQ-JTQLQIEISA-N 342.449 3.774 50 40 EHGB C=CC[n+]1c(-c2ccccc2)csc1NNC(=O)c1ccccc1 1455129 HDMYSYOIHHPHGM-UHFFFAOYSA-O 336.440 3.646 50 40 EHGB CC(C)=C[C@@H]1[C@@H](C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)C1(C)C 24713999 LJACUKPTNBTUQE-BELXIORKSA-N 344.499 3.589 50 40 EHGB CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccc(F)cc2)c1C 96669474 JQTUDWZEXSGRFQ-ZROIWOOFSA-N 340.354 3.737 50 40 EHGB Cn1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c2ccccc21 561461 KUIJDDQPGWWVLC-RGVLZGJSSA-N 325.799 3.525 50 40 EHGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccncc1 264184 LTFUZEIXVPLUGM-RGVLZGJSSA-N 325.755 3.759 50 40 EHGB C=CCn1c(C)c(/C=N/NC(=O)Cc2ccccc2)c2ccccc21 6960062 HUQFZFOGBMOPQM-PXLXIMEGSA-N 331.419 3.829 50 40 EHGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2)c1OC(C)C 7931790 VNYRKYHGGSTVBW-RGVLZGJSSA-N 346.814 3.900 50 40 EHGB O=C(Nc1ccccc1-c1nc(-c2ccco2)no1)C(Cl)Cl 60017028 ZCGAVVWXKACPTL-UHFFFAOYSA-N 338.150 3.739 50 40 EHGB CCc1ccccc1OCC(=O)N/N=C/c1c(O)ccc2ccccc12 348982 MNCWLCJCMSJGBT-LPYMAVHISA-N 348.402 3.637 50 40 EHGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(OC)c1O 408545176 ZIRXDURBZAWQCR-VGOFMYFVSA-N 349.390 3.967 50 40 EHGB CCOc1ccc(/C=N/NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 5673368 RONAUJHZAVBHGT-FYJGNVAPSA-N 341.455 3.687 50 40 EHGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(N)=O 3255565 LKESNZLIEMKQER-NTUHNPAUSA-N 347.201 3.965 50 40 EHGB Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1ccc(Cl)c(Cl)c1 447590 GYECZSJVBLTVFM-AWQFTUOYSA-N 349.221 3.765 50 40 EHGB O=C(c1ccc(F)c(Cl)c1)[C@@H](Br)CBr 306719439 KQYQJYKOIXLINZ-LURJTMIESA-N 344.405 3.820 50 40 EHGB Cc1cccc(OCC(=O)N/N=C\c2c(F)cccc2Cl)c1C 4616777 AJNNGFBXLVKVJD-UKWGHVSLSA-N 334.778 3.625 50 40 EHGB CN(C)c1ccc(/C=C/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1 409375178 GTOUDNQRWJLTEQ-MJPUSMOISA-N 333.391 3.560 50 40 EHGB COc1cc(C)c(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC 33431600 ZIJNVUPLTZCVMD-JAIQZWGSSA-N 338.363 3.522 50 40 EHGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1cccc2ccccc12 5480121 UIOJQAYTYXXARA-FYJGNVAPSA-N 332.359 3.723 50 40 EHGB CC/C(=N\NC(=O)Cc1ccc(Br)cc1)c1ccco1 9204949 HZJUGEBEPNJEHO-GHRIWEEISA-N 335.201 3.515 50 40 EHGB CCOc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc1OCC 106068707 AUXSGANXTVQCTR-HGVLQOFYSA-N 344.455 3.760 50 40 EHGB O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccc[nH]1 1794696 RFNVHZMESZMGEN-VXLYETTFSA-N 340.210 3.631 50 40 EHGB O=C(N/N=C/C(Br)=C/c1ccccc1)c1ccccc1F 3208601 VSIQBMYZUHVTDC-ZTPOPNGFSA-N 347.187 3.977 50 40 EHGB N#C/C(=C/c1ccc(I)o1)c1cccc(C#N)c1 408566278 FNCPIVRFIKJIKY-GHXNOFRVSA-N 346.127 3.820 50 40 EHGB C=CCn1cc(/C=N/NC(=O)c2ccc(OC)cc2)c2ccccc21 409262318 HRMCORGUUWSAIA-FYJGNVAPSA-N 333.391 3.600 50 40 EHGB O=C(c1ccc(Cl)cc1F)[C@@H](Br)CBr 306564805 XAEGNUHXEOBPHY-ZETCQYMHSA-N 344.405 3.820 50 40 EHGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cccc3ccccc23)cc1 580563 WANXRVMNQUKCPR-FYJGNVAPSA-N 331.375 3.562 50 40 EHGB Cc1ccc(COc2cccc(/C=N/NC(=O)c3ccncc3)c2)cc1 573304 OWEWJXJSSUNEMZ-OEAKJJBVSA-N 345.402 3.733 50 40 EHGB CCOC(=O)[C@@H](Br)Cc1cccc(Cl)c1Cl 3178295 SIGDZXDGPOBXLP-QMMMGPOBSA-N 326.017 3.863 50 40 EHGB O=C(/C=C/c1cccs1)NNC(=O)CC12CC3CC(CC(C3)C1)C2 5787599 ZKQPBXSJWWGCGW-ONEGZZNKSA-N 344.480 3.515 50 40 EHGB C/C(=N\NC(=O)c1ccc(Br)cc1)c1cc(C)oc1C 6796562 VOOCDKPWPXNXOA-LICLKQGHSA-N 335.201 3.813 50 40 EHGB C[C@H]1Cc2cc(/C=C(\C#N)c3nc(O)c4ccccc4n3)ccc2O1 8970233 WTSXDGLCVBGBQI-XBUHWIKASA-N 329.359 3.723 50 40 EHGB C/C(=N\NC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1ccc(O)cc1 5167477 LCJKDJZMVKBXET-FLFDVBNFSA-N 328.437 3.733 50 40 EHGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(N2CCCCC2)o1 60687227 JTEOZAKUIXFECZ-DEDYPNTBSA-N 345.830 3.616 50 40 EHGB COc1cc(/C=C(\C#N)c2ccccn2)c(Br)cc1O 96313698 SDUHJPUFALXYDB-IZZDOVSWSA-N 331.169 3.622 50 40 EHGB O=C(c1ccccc1Cl)[C@@H](Br)CBr 306512136 OXDWIBRTDAIWLC-ZETCQYMHSA-N 326.415 3.681 50 40 EHGB O=C(NCCc1ccccn1)[C@@H]1Cc2ccccc2[C@H]1C(Cl)Cl 159172 PRAQTXISVZPZDQ-HZPDHXFCSA-N 349.261 3.500 50 40 EHGB O=C(NC(=O)C(Cl)Cl)Nc1cccc2c1-c1ccccc1C2 1722523 HYDZPQQSEMNDGS-UHFFFAOYSA-N 335.190 3.710 50 40 EHGB COc1cc(C=C(C#N)C#N)ccc1OC(=O)c1ccccc1Cl 3170344 ROBZHELOOAETRV-UHFFFAOYSA-N 338.750 3.998 50 40 EHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1O 7159144 AIGZCPZTOXIOAO-UKTHLTGXSA-N 342.782 3.990 50 40 EHGB O=C(CSc1cc(Cl)ccc1Cl)NNc1ccccn1 8191218 XHUPTZLQIGQQHS-UHFFFAOYSA-N 328.224 3.624 50 40 EHGB CCOC(=O)NP(=O)(NC1CCCCC1)NC1CCCCC1 104079395 BECDVMQJHKTBSE-UHFFFAOYSA-N 331.397 3.685 50 40 EHGB CCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccccc1N 169893873 UFMNWCPNPISTTJ-XKZIYDEJSA-N 333.391 3.585 50 40 EHGB COc1cc(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1O 408743131 DWAKFGJHWXUTOG-QPEQYQDCSA-N 342.782 3.908 50 40 EHGB COc1ccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c2ccccc12 409205710 FFZZAPGBYSJVSN-WQZUMXOESA-N 343.386 3.606 50 40 EHGB COc1cccc(C(=O)N/N=C/c2ccc3c4c(cccc24)CC3)c1 59401598 JAYPWGHNYNJVIZ-LPYMAVHISA-N 330.387 3.711 50 40 EHGB CC(/C=C/C=C/c1ccccc1)=N\NC(=O)[C@@H]1COc2ccccc2O1 23410909 CETKBRUYHNRQKT-ZFSGOHMASA-N 348.402 3.588 50 40 EHGB CCOc1ccc(/C=N/NC(=O)CCc2ccccc2)c(OCC)c1 409060265 ZAKQPPKUNMJWFN-RCCKNPSSSA-N 340.423 3.567 50 40 EHGB CCOc1cc(/C=N/NC(=O)OC)ccc1OCc1ccccc1C 4525963 WVBQDCWSWDZNNE-UDWIEESQSA-N 342.395 3.663 50 40 EHGB C=CCOc1ccc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)cc1 44028821 BHZUREWJMKXJMN-MHWRWJLKSA-N 333.343 3.770 50 40 EHGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(N)=S 454865 CGNDHCIRBOTPJZ-GXDHUFHOSA-N 348.406 3.871 50 40 EHGB CC(C)(C)OC(=O)N1CCc2cccc(CBr)c2C1 1772715327 WXSHAOIURYKAFQ-UHFFFAOYSA-N 326.234 3.875 50 40 EHGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)N1CCCC1 16437912 CLAVTXLSJGOCFM-XMHGGMMESA-N 332.403 3.795 50 40 EHGB O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(F)cc1 52022 UTVYUFCVORGLBP-UHFFFAOYSA-N 348.786 3.769 50 40 EHGB CC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccccc1C 538562 LCWFGQXQIBCKSX-LJQANCHMSA-N 330.387 3.803 50 40 EHGB CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1N 573162 XBKJJORLXCTGLX-YDZHTSKRSA-N 347.418 3.973 50 40 EHGB O=C(NNc1c2ccccc2nc2ccccc12)c1ccc(O)cc1 4313811 TVITVWGPKBSQHY-UHFFFAOYSA-N 329.359 3.851 50 40 EHGB O=C(CCC1CCCC1)NNC(=O)CC12CC3CC(CC(C3)C1)C2 6048794 CRKKSKIHAYRZLU-UHFFFAOYSA-N 332.488 3.711 50 40 EHGB O=C(CNc1ccc(F)cc1)NN=C1c2ccccc2-c2ccccc21 3229390 ABVNJIPGMHVDBU-UHFFFAOYSA-N 345.377 3.787 50 40 EHGB C=CCn1c(C)c(/C=N/NC(=O)c2ccc(OC)cc2)c2ccccc21 409254048 CZJGIYBEWBYOJT-HYARGMPZSA-N 347.418 3.908 50 40 EHGB Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)sc2ccccc32)cc1 8748209 HOXHHEJDPMACHE-INIZCTEOSA-N 346.411 3.788 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)o1 408792610 BFNRQXBQSSXUKP-CSKARUKUSA-N 347.168 3.596 50 40 EHGB O=C(N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1cc2ccccc2o1 33314064 CXZSWNGQZDLATD-NVMNQCDNSA-N 343.726 3.758 50 40 EHGB C/C(=N/NC(=O)Cn1ccc2ccccc21)c1ccccc1Cl 199417783 SBPYYHWLMVCFST-MOSHPQCFSA-N 325.799 3.835 50 40 EHGB COc1ccc(C(=O)N/N=C/c2c(OC)ccc3ccccc23)cc1 95792 FSSNWTAENDFNCF-FYJGNVAPSA-N 334.375 3.621 50 40 EHGB Cc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc1 5409121 FBLFWPDHQSZVIA-CQSZACIVSA-N 334.404 3.665 50 40 EHGB Cn1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc21 141719 ILSSADQSBXYQOB-UKTHLTGXSA-N 346.346 3.632 50 40 EHGB N#CSc1ccc(NC(=O)C[C@H](C(=O)O)c2ccc(F)cc2)cc1 25206878 HHDKIHWVACOOSV-HNNXBMFYSA-N 344.367 3.596 50 40 EHGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc2ccccc2[nH]1 500396 UMWFWUMIUALLSE-KRWDZBQOSA-N 333.391 3.619 50 40 EHGB O=C(CSCc1ccccc1)N/N=C/c1c(F)cccc1Cl 58915520 QSIWOCVJMVADHD-DJKKODMXSA-N 336.819 3.863 50 40 EHGB N#CCCn1cc(/C=C(/C#N)c2ccccn2)c(-c2ccccc2)n1 49573538 MHZWYNNOBLOPPZ-LGMDPLHJSA-N 325.375 3.923 50 40 EHGB O=C(N/N=C/c1ccc(N2CCCC2)cc1)c1cccc(Cl)c1 408962275 XXZNOZTVEGOASJ-DEDYPNTBSA-N 327.815 3.704 50 40 EHGB C/C(=N\NC(=O)c1n[nH]c2c1CCc1ccccc1-2)c1ccc(C)cc1 72377 UCQWEWPMOCTEAC-HYARGMPZSA-N 344.418 3.638 50 40 EHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3O)c2C)cc1 5740457 PBSGGIUPWWIGTK-LPYMAVHISA-N 347.418 3.872 50 40 EHGB C=CCOc1cccc(/C=N/NC(=O)CCSc2ccccc2)c1 59473238 FXOHRPKJGBEJLE-HMMYKYKNSA-N 340.448 3.884 50 40 EHGB N#C/C(=C\c1ccccc1OC(F)F)C(=O)NCc1ccccc1 3233740 UHKYQCBECONYAC-XNTDXEJSSA-N 328.318 3.511 50 40 EHGB C[C@H]1CC=C2[C@H](C1)[C@H](c1ccccc1F)C(C#N)=C(N)C2(C#N)C#N 34917048 IZDFGUXRWGVVCH-YEWDVWPNSA-N 332.382 3.665 50 40 EHGB Cc1cccc2cc(/C=N/NC(=O)c3ccccc3O)c(Cl)nc12 5518161 MHCNXCIYIHOJPW-KEBDBYFISA-N 339.782 3.666 50 40 EHGB O=C(N/N=C/c1cccc(OC2CSC2)c1)c1ccccc1Cl 408829760 KPJXOLPMPGVQPV-DJKKODMXSA-N 346.839 3.598 50 40 EHGB CCCC[C@@H](C(=O)NN)N1c2ccc(Cl)cc2[C@@H](C)CC1(C)C 223229618 NZTNSIGOGHSBDF-LRDDRELGSA-N 337.895 3.981 50 40 EHGB O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(CBr)cc1 1669221 KJFWPLKGJCRWBM-UHFFFAOYSA-N 336.141 3.709 50 40 EHGB CCCOc1cccc(/C=C(/C#N)S(=O)(=O)c2ccccc2)c1 31783693 MAVDCYYTBFJBEM-AQTBWJFISA-N 327.405 3.814 50 40 EHGB CO[C@@H](C(=O)N/N=C/c1c(Cl)cccc1Cl)c1ccccc1 5356540 IVVIKQAFKLZGAT-GDXCHIGESA-N 337.206 3.831 50 40 EHGB COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)ccc1OC(C)=O 6645767 KDFFNVHBWKEHSN-OQLLNIDSSA-N 347.374 3.869 50 40 EHGB O=C1C=CC(=O)N1c1ccc2c(c1)[C@@H](Br)c1ccccc1-2 1681543 IFJRQCHECGNXRQ-KRWDZBQOSA-N 340.176 3.581 50 40 EHGB COc1ccc(/C(C)=N/NC(=O)[C@@H](C)Sc2ccccc2)cc1 313705 GSZINKYAKKYMQZ-NFECSFHCSA-N 328.437 3.716 50 40 EHGB C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(N2CCCCC2)o1 100377407 XRYUZVYHIWWEGC-VCMHLMLJSA-N 329.444 3.546 50 40 EHGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc2c(cc1Cl)OCO2 408797543 GPGVMOUIRBBPTI-LWAZWVBVSA-N 346.814 3.671 50 40 EHGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1-c1cccnc1 408768293 VSRZSOLFTCVDQP-PDGQHHTCSA-N 348.450 3.845 50 40 EHGB Cc1ccccc1NC(=O)N/N=C\c1cccn1-c1ccc(O)cc1 33322471 FIKIHRBLWKHYCF-MOSHPQCFSA-N 334.379 3.647 50 40 EHGB FC(F)COc1ccc(CBr)cc1Br 62703523 WLOXVMINEYHLII-UHFFFAOYSA-N 329.966 3.988 50 40 EHGB C/C(CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]21C)=N/NC(N)=O 4856585 YPWULSVTTBGBFG-GUDMJSPVSA-N 337.508 3.804 50 40 EHGB O=C(N/N=C/c1cccn1-c1ccc(O)cc1)c1cccc(Cl)c1 409022868 VCRKSLCGAHQNJS-UDWIEESQSA-N 339.782 3.600 50 40 EHGB CCN(CC)c1ccc(/C=N/NC(=O)CSc2ccccc2)cc1 408775850 VMUUYEXQMIIYEI-XSFVSMFZSA-N 341.480 3.775 50 40 EHGB Cc1cccc(C(=O)N/N=C\c2c(C)nn(-c3ccccc3)c2C)c1 409000152 MQVYAKKILKLXPX-BKUYFWCQSA-N 332.407 3.561 50 40 EHGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNc1ccc(Cl)cc1 409359825 CAJHPBIUGBPMCF-UFFVCSGVSA-N 340.814 3.692 50 40 EHGB NNC(=O)c1ccc(-c2cc(Cl)c(Br)cc2Cl)o1 226244463 VKJKMKAOPVSQNG-UHFFFAOYSA-N 349.999 3.619 50 40 EHGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\C=C\c1ccccc1 12364843 SOLVXYAPJUZBAG-IRVGZNLOSA-N 328.799 3.923 50 40 EHGB NC(=O)N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 59639259 RCTULSCDMZIRNJ-YAXRCOADSA-N 332.574 3.909 50 40 EHGB O=C(CCC1CCCC1)NNC(=O)c1cc(Cl)ccc1Cl 6510513 BZICBPAFUIOQTH-UHFFFAOYSA-N 329.227 3.725 50 40 EHGB CCc1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1 4735361 FPRIOQNJPJJFFP-XDHOZWIPSA-N 345.240 3.704 50 40 EHGB O=C(N/N=C/c1ccc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])cc1 4280964 AZZZLELQAUQSGN-XDHOZWIPSA-N 335.319 3.619 50 40 EHGB O=C1O[C@H]2[C@@H](Cl)C[C@@H](Cl)C[C@H]2C=C1c1cccc([N+](=O)[O-])c1 5328151 RWVZVSACKRVLSF-TXFQPVFDSA-N 342.178 3.528 50 40 EHGB C[C@@H](CN(C)C)C(/C=C\c1ccccc1)=N/NC(=O)c1ccccc1 17175036 MJYLOPMYSPGXGO-SVVLZJJKSA-N 335.451 3.684 50 40 EHGB CCN1c2cc(C)c(/C=C(/C#N)C(=O)NC)cc2[C@H](C)CC1(C)C 208330741 QHHKDADEYWVMEL-SLVCOGOPSA-N 325.456 3.760 50 40 EHGB Cc1ccc(Cl)c(C(=O)[C@@H](Br)CBr)c1 307099277 RRUKZTNLTIIOMK-QMMMGPOBSA-N 340.442 3.990 50 40 EHGB CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@](CO)(OO)C3 2332242404 OIWDBCFCWVUPFM-YUCWNLPMSA-N 336.472 3.819 50 40 EHGB CCOc1ccc(CCCC(=O)N/N=C/c2cccc(OC)c2)cc1 5873002 MOXFGZWZOMCSBH-RCCKNPSSSA-N 340.423 3.567 50 40 EHGB CCOc1ccc(CC(=O)N/N=C/c2cccc(OC(C)C)c2)cc1 10475956 DHUNDAQBTQECHM-KGENOOAVSA-N 340.423 3.565 50 40 EHGB O=C(N/N=C(\c1ccc(O)cc1)c1ccc(F)cc1)c1ccccc1 16476622 LVLPLRAACGLMPG-QOCHGBHMSA-N 334.350 3.714 50 40 EHGB Cc1cc2sc(NC(=O)[C@H](C)Cl)nc2cc1Br 20131922 DMLDMNPOYXUGKK-LURJTMIESA-N 333.638 3.933 50 40 EHGB CC/C(=N\NC(=O)c1ccccc1C)c1ccc(OC)c(OC)c1 46591077 VWPSENNIEKUMEU-CAPFRKAQSA-N 326.396 3.556 50 40 EHGB COC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 252497079 PYLYQMNBCBYYSY-POHAHGRESA-N 332.699 3.588 50 40 EHGB Cc1ccc(C)c(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)c1 409363418 LTDPEDHUHLVNDD-GRSHGNNSSA-N 345.786 3.558 50 40 EHGB CCCCOc1ccc(/C=N/NC(=O)[C@H](OC)c2ccccc2)cc1 3152102 DWWSVDYYIVDYSH-DDNKWHRWSA-N 340.423 3.703 50 40 EHGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc([N+](=O)[O-])cc1 18272114 WGCSUWYYVIMOEV-VGOFMYFVSA-N 343.346 3.603 50 40 EHGB Cc1ccc2cc(/C=N/NC(=O)Cc3ccccc3)c(Cl)nc2c1 408727141 DOCOMKIDLFEGSO-CIAFOILYSA-N 337.810 3.889 50 40 EHGB COc1ccc(/C=N/NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 5661396 PMCNLSDRVACERM-VXLYETTFSA-N 327.771 3.594 50 40 EHGB CC(/C=C/C=C/c1ccccc1)=N\NC(=O)c1ccc2c(c1)OCO2 4596697 MABHSEVHPDCXBE-ZHLVDDOASA-N 334.375 3.791 50 40 EHGB CC(C)c1cc(I)ccc1NC(=O)CCl 559388 FSCZFYRJRGEAHP-UHFFFAOYSA-N 337.588 3.592 50 40 EHGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)ccc1O 15219862 UDOOYBKIDYNHMQ-WJDWOHSUSA-N 336.391 3.899 50 40 EHGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1)c1cccs1 38542902 KCWQKWCMXGLABJ-DEDYPNTBSA-N 349.415 3.764 50 40 EHGB COc1ccc(CSCC(=O)N/N=C(\C)c2cccs2)cc1 59503548 RHMQGIUMHNAZBQ-SFQUDFHCSA-N 334.466 3.530 50 40 EHGB CC(C)(C)c1ccc(C(=O)NNc2ncnc3sccc23)cc1 6541664 KAPSZHWOZQFVBI-UHFFFAOYSA-N 326.425 3.746 50 40 EHGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1 59133231 QXUQZAYMPAHPKX-SSZFMOIBSA-N 334.375 3.806 50 40 EHGB C=C(C)C(=O)Nc1ccc(/C(C)=N/NC(=O)c2cccc(C)c2)cc1 5754921 BNAQYAPUJZNBCY-PXLXIMEGSA-N 335.407 3.664 50 40 EHGB COc1ccc(C2=NN(C(=O)CCl)[C@H](c3ccc(F)cc3)C2)cc1 4855904 ICYPVOBIIUXTRU-KRWDZBQOSA-N 346.789 3.751 50 40 EHGB CCCCOc1ccccc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 408878958 BYMQELHKWIZFLY-CPNJWEJPSA-N 341.367 3.538 50 40 EHGB C/C(=N/NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(N)cc1 5587967 VBLSHZHXFWWIMK-JCMHNJIXSA-N 339.439 3.620 50 40 EHGB Cc1cc(C)c2sc(NNC(=O)c3c(F)cccc3F)nc2c1 251218 LKARCIJQZYJKLW-UHFFFAOYSA-N 333.363 3.948 50 40 EHGB C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)CNc2ccccc2OC)C1 100007372 LCNFAOVEZAENHQ-OTUOZYHDSA-N 327.428 3.512 50 40 EHGB C[C@@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CCC[C@]2(O)C#N 104212113 XHDBQDNRWFJOBU-KXUZYRSSSA-N 329.484 3.955 50 40 EHGB C=CCOc1ccc(/C=N/NC(=O)CSc2ccc(C)cc2)cc1 2176093 DPVRQZSIWHKBMO-DEDYPNTBSA-N 340.448 3.802 50 40 EHGB C#CCn1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c2ccccc21 302743 MASMRRYCGUFAJD-SSZFMOIBSA-N 325.371 3.820 50 40 EHGB O=C(NNC(=O)C1[C@H]2CCCC[C@@H]12)c1ccc(-c2ccccc2)cc1 18044954 PXJBRJQCKAPPJL-DFNIBXOVSA-N 334.419 3.551 50 40 EHGB N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(=O)Nc1nccs1 3570701 VGJSWTFQODKKGJ-QINSGFPZSA-N 338.436 3.679 50 40 EHGB C/C(=N/NC(=O)c1cc(-c2cccs2)n[nH]1)c1ccc(Cl)cc1 5685642 XGWSHWUIUDLJOC-ZDLGFXPLSA-N 344.827 3.946 50 40 EHGB Cc1c(C(=O)NN)c2ccccc2n1Cc1c(Cl)cccc1Cl 216948461 VZQMVTHJDIAEQK-UHFFFAOYSA-N 348.233 3.908 50 40 EHGB CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccccc1F 408865867 CIMFRRCZBGZJKT-GXDHUFHOSA-N 340.354 3.779 50 40 EHGB CSc1ccc([C@H]2OC3=C(C(=O)CC(C)(C)C3)C(N)=C2C#N)cc1 190041 ZMQIGBIZLSIPQJ-GOSISDBHSA-N 340.448 3.859 50 40 EHGB O=C(Cc1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1 524487 ALPJCAATKMTQHK-XQNSMLJCSA-N 344.414 3.958 50 40 EHGB CN(C)C(=O)/C(C#N)=C\c1cn(Cc2ccccc2F)c2ccccc12 59334560 RCMOIFJGCRHSFK-WJDWOHSUSA-N 347.393 3.824 50 40 EHGB COc1ccc(/C=N/NC(=O)C23[C@H]4CCC[C@H]2C43c2ccccc2)cc1 102412214 KPWKKTIPZJAQLH-DJKQLNDPSA-N 346.430 3.513 50 40 EHGB CCOc1ccc(NC(=O)c2ccc(NC(=O)CCl)cc2)cc1 3268082 NHIZMCRFFYCUIP-UHFFFAOYSA-N 332.787 3.515 50 40 EHGB CC(=O)N/N=C/c1ccccc1OCCCOc1cc(C)cc(C)c1 4550389 QAKRUUURDYYQDP-KGENOOAVSA-N 340.423 3.621 50 40 EHGB Cc1ccc(C(=O)[C@@H](Br)CBr)c(Cl)c1 307209321 OZFSQNRREXUHNM-QMMMGPOBSA-N 340.442 3.990 50 40 EHGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccco2)o1 408722843 NWGIVQTULPWZJH-VCHYOVAHSA-N 339.307 3.520 50 40 EHGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1O 6229694 LQFNFHXRFXMQHC-MLPAPPSSSA-N 329.739 3.817 50 40 EHGB CCOC(=O)c1ccc(P(c2ccccc2)c2ccccc2)cc1 100336982 REWSBBADFKKLGR-UHFFFAOYSA-N 334.355 3.622 50 40 EHGB Cc1nc(Cc2ccccc2)sc1C(=O)N/N=C\c1cccs1 5183805 HDFFVJNLEHKFKY-WQRHYEAKSA-N 341.461 3.868 50 40 EHGB O=[N+]([O-])c1cccc(NP(=O)(c2ccccc2)c2ccccc2)c1 510145 NBHMEFNQOBWPIN-UHFFFAOYSA-N 338.303 3.936 50 40 EHGB biogenic Cc1nc2ccccn2c1C(=O)N/N=C/c1c(Cl)cccc1Cl 7041599 PYPUCFGPYANLQH-DJKKODMXSA-N 347.205 3.713 50 40 EHGB COc1ccccc1NCC(=O)N/N=C(C)/C=C/C=C/c1ccccc1 23375051 VTVUIDCQSMFIFK-PBMMLXQOSA-N 349.434 3.869 50 40 EHGB Cc1ccc(OCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1 3102668 MSJQOWODMXUTSC-DJKKODMXSA-N 337.206 3.831 50 40 EHGB CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(N)=O)cc2)cc1 17086233 PAPGQFVJLRVGIH-VBKFSLOCSA-N 348.402 3.596 50 40 EHGB N#C/C(=C\c1ccc(Cc2ccccc2Cl)c(Cl)c1)C(N)=O 408883490 PZILKKIYMCDENQ-VGOFMYFVSA-N 331.202 3.976 50 40 EHGB CN(c1ccccc1)c1ccc(/C=N/NC(=O)c2ccccn2)cc1 48236009 GJAAPEDCDXDPJP-PXLXIMEGSA-N 330.391 3.613 50 40 EHGB Cc1cc(/C=N/NC(=O)c2cccc(F)c2)c(C)n1-c1ccccc1 260798 WXCOJRXKZHRIGE-LPYMAVHISA-N 335.382 3.997 50 40 EHGB Cc1ccc(C(=O)N/N=C\c2cccc(OCc3ccccc3)c2)cn1 30803172 VCLALBQYBJAPQS-QRVIBDJDSA-N 345.402 3.733 50 40 EHGB N#CC1=C(N)OC2=C(COc3ccccc32)[C@@H]1c1cccc(Cl)c1 809488 VVNOSVPLSNCGEW-QGZVFWFLSA-N 336.778 3.951 50 40 EHGB biogenic,in-vitro O=C(N/N=C/c1ccc(Br)cc1)c1cccc2cc[nH]c12 243410 NHKQLVDLNXMTLU-VXLYETTFSA-N 342.196 3.694 50 40 EHGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccccc2Cl)c1C 12843948 FZOJGYVIZJTFTH-KEBDBYFISA-N 330.815 3.794 50 40 EHGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(Br)cc1 408749788 UIRXWEOAWRXAAG-VCHYOVAHSA-N 347.212 3.530 50 40 EHGB COC(=O)/C(C#N)=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 252498891 RPCXNBBBOCKQFL-TWGQIWQCSA-N 332.699 3.588 50 40 EHGB C/C=C1/C[N@+]2(CCC)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 254308818 NNGQLOSIKGOGJJ-SGQIIDJDSA-O 335.471 3.782 50 40 EHGB biogenic COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1 7164479 BWOPGJCQMFKGQO-JLHYYAGUSA-N 344.317 3.842 50 40 EHGB CCOC(=O)c1sc(NC(=O)C(C)(C)C)c(SC#N)c1C 36629941 YKDLBMYZRUWCGL-UHFFFAOYSA-N 326.443 3.791 50 40 EHGB COc1ccccc1/C=N/NC(=O)c1cc(C2CC2)nc2ccccc12 184609 UKGBEGFPHWPYQO-LPYMAVHISA-N 345.402 3.885 50 40 EHGB CC(C)=C[C@H]1[C@@H](C(=O)NNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C1(C)C 4742816 UDEJFMBJNZQIFL-VGWMRTNUSA-N 332.488 3.611 50 40 EHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OC 6537735 YNUKAOYAERPJOH-GXDHUFHOSA-N 340.354 3.779 50 40 EHGB O=C(NNc1ccccc1)c1cc2c(ccc3ccccc32)oc1=O 6603121 NSYPBVMAVDCVIX-UHFFFAOYSA-N 330.343 3.703 50 40 EHGB CCCCOc1ccc(/C=N\NC(=O)Cc2ccccc2)cc1OC 215545172 VADXLVCBHJBSQP-QNGOZBTKSA-N 340.423 3.567 50 40 EHGB Cc1cc(C=C(C#N)C#N)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408854967 LJDXLLFJNIEGSX-UHFFFAOYSA-N 325.755 3.876 50 40 EHGB N#C/C(=C\c1ccccc1C(=O)O)C(=O)Nc1ccc(Cl)cc1 408924584 NAVARSGDEJVLKS-FMIVXFBMSA-N 326.739 3.584 50 40 EHGB CC(C)[C@@H](C(=O)N/N=C/c1ccco1)c1ccc(OC(F)F)cc1 97245 ONIIVFAYNFETHA-IXJMWADBSA-N 336.338 3.771 50 40 EHGB COc1ccccc1NC(=O)N/N=C/c1c(C)n(C)c2ccccc12 59249874 IUPZHVYEHBFMRD-UDWIEESQSA-N 336.395 3.651 50 40 EHGB COc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(C#N)cc3)o2)c1 1105120 XQAITKKIIGJGCG-LPYMAVHISA-N 345.358 3.591 50 40 EHGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1CCc1ccccc1 107355368 MEGWUQDENBUDFU-MRXNPFEDSA-N 342.402 3.879 50 40 EHGB N#C/C(=C\c1c(Cc2ccccc2F)ccc2ccccc12)C(N)=O 408869439 RVDBKURBUMOPTG-SFQUDFHCSA-N 330.362 3.962 50 40 EHGB O=C(CSc1ccccc1)N/N=C/c1cccc(C(F)(F)F)c1 409185993 UNVSMCQQWFCVJD-KEBDBYFISA-N 338.354 3.948 50 40 EHGB O=C(N/N=C/c1ccccc1C(F)(F)F)[C@@H]1C[C@H]1c1ccccc1 5684724 ZLDCONNKMLEYNF-RAVCNUTFSA-N 332.325 3.959 50 40 EHGB N#C/C(=C/c1ccccc1Br)C(=O)NCc1ccccc1 16479943 BHNPWTQUVRQJIM-GDNBJRDFSA-N 341.208 3.672 50 40 EHGB CCn1c(C)cc2c(c1=O)[C@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 2435089 NHYSSRKAQNBDNU-GOSISDBHSA-N 349.434 3.518 50 40 EHGB Cc1ccc([C@@]2(C(F)(F)F)NC(=O)N3C=CC=CC3=C2C#N)cc1 3227423 MPXVDSIRBFTVQQ-MRXNPFEDSA-N 331.297 3.639 50 40 EHGB CCOc1ccc(C(=O)N/N=C(C)/C=C/c2cccc(OC)c2)cc1 5247643 GRJZFCKIQACMTI-ZDJTYYSLSA-N 338.407 3.913 50 40 EHGB C#CCn1c(C)c(/C=N/NC(=O)c2ccccc2C)c2ccccc21 9201208 DZMYVDQVGBJHMQ-HYARGMPZSA-N 329.403 3.655 50 40 EHGB CC1(C)Cc2cc(/C=N\NC(=O)c3ccc(Cl)cc3)ccc2O1 408710800 LHTLPNJUXJHZQW-JAIQZWGSSA-N 328.799 3.817 50 40 EHGB COc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 409135908 RAYXHKGHFFTNQJ-ONDHQXCVSA-N 328.437 3.635 50 40 EHGB Cc1ccc(COc2cccc(/C=N/NC(=O)c3ccco3)c2)cc1 409373028 VOAAMCVCRBXIHR-FYJGNVAPSA-N 334.375 3.931 50 40 EHGB CCOc1ccc(C(=O)N/N=C/c2cccc(OC(C)C)c2)cc1 20764590 AGUSVZIBCRIWQC-DEDYPNTBSA-N 326.396 3.636 50 40 EHGB Cc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)o1 83326232 YXJKZPLCRDMECE-IUXPMGMMSA-N 347.168 3.861 50 40 EHGB CC(C)NC(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1C#N 408786900 XFIXMURHNZQLLV-ODLFYWEKSA-N 345.402 3.569 50 40 EHGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccccc1 247379 HOOPMOKMRLIDDX-UDWIEESQSA-N 338.798 3.598 50 40 EHGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)ccc1O 4502009 KGWJVEZYFFKQEY-YBEGLDIGSA-N 336.391 3.953 50 40 EHGB C[C@H]1CCC/C(=N\NC(=O)CCCC(=O)N/N=C2\CCC[C@@H](C)C2)C1 5662471 NQUULCIGSMBGFH-AKSBCLQRSA-N 348.491 3.521 50 40 EHGB C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](C(=O)N/N=C/c1ccccc1O)(C3)C2 217754262 VBAOGHBXBHEQQZ-GXWITJMTSA-N 326.440 3.839 50 40 EHGB CCCCOc1ccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)cc1 6651003 DXNCYVIKGISWLR-OMNSNBSWSA-N 335.407 3.623 50 40 EHGB CCOc1cc(C=C(C#N)C#N)ccc1Oc1ccc([N+](=O)[O-])cn1 807514 VCKYFYTVTZMHOD-UHFFFAOYSA-N 336.307 3.611 50 40 EHGB C=C(C)CN(CC)C(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C 42706219 PCPZZCVWMGPTKD-JJLFXSABSA-N 343.471 3.644 50 40 EHGB N#C/C(=C\c1ccc(C(=O)O)cc1)C(=O)Nc1cccc(Cl)c1 4211368 FTMZWFIJJCVNGW-MDWZMJQESA-N 326.739 3.584 50 40 EHGB Cc1c(C(=O)NN)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 216948183 GZLFRDBHLPMETC-UHFFFAOYSA-N 348.233 3.908 50 40 EHGB N#C/C(=C\c1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(Cl)c1 90690 BKLDPRMTMSLXOS-NTUHNPAUSA-N 325.730 3.896 50 40 EHGB COc1cc(C=C(C#N)C#N)ccc1OCc1ccc([N+](=O)[O-])cc1 2752396 NSUWWNOUPWYEBT-UHFFFAOYSA-N 335.319 3.613 50 40 EHGB CC1=C[C@H](C)[C@H]2CO[C@@H](c3ccccc3)[C@H]1[C@@H]2COC(=O)CCl 105363428 WDVFWRCDJREHFA-XTVZSAFLSA-N 334.843 3.985 50 40 EHGB biogenic Cc1ccc(C)c(NC(=O)NNC(=O)c2ccc3ccccc3c2O)c1 15952120 PJRBLMVQWQQDLF-UHFFFAOYSA-N 349.390 3.629 50 40 EHGB CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3F)cc2c1 409187615 SLKWWSVNPQCREM-JAIQZWGSSA-N 326.327 3.735 50 40 EHGB O=C(N/N=C/c1ccc(Br)cc1)c1c[nH]c2ccccc12 553747 STRAHQJOQVBCOK-DJKKODMXSA-N 342.196 3.694 50 40 EHGB Cc1ccc(C)c(NC(=S)NNC(=O)c2ccccc2Cl)c1 5274174 CUDVPRBTTQNGMB-UHFFFAOYSA-N 333.844 3.588 50 40 EHGB Cc1ccc(C(=O)N/N=C/c2cccc3ccccc23)cc1[N+](=O)[O-] 5618285 REHMRFAFIUJOBJ-UDWIEESQSA-N 333.347 3.820 50 40 EHGB C/C(=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)c1ccc(C)o1 6278721 LROQFQZLZCIGEF-HCZVKUGISA-N 334.803 3.858 50 40 EHGB Cc1ccc(OCC(=O)N/N=C/c2cccc3ccccc23)cc1C 8182721 OLUZJQRKHNTSIZ-LPYMAVHISA-N 332.403 3.986 50 40 EHGB CCOc1ccc(/C=N\NC(=O)c2c(-c3ccccc3)noc2C)cc1 31769244 CRTZYGFKZXHLNS-BKUYFWCQSA-N 349.390 3.813 50 40 EHGB O=C(N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21)c1ccccn1 33380760 QZOHAOSMTVCSKF-IRJMIRDBSA-N 343.386 3.740 50 40 EHGB Cc1cc(C)n(-c2ccc(CNC=C(C#N)C#N)c(C(F)(F)F)c2)n1 63442136 RKXVCDJMMUHRLP-UHFFFAOYSA-N 345.328 3.529 50 40 EHGB CC1(C)OB(c2ccnc(O[Si](C)(C)C(C)(C)C)c2)OC1(C)C 198023629 GKBGTNJNSVTOLL-UHFFFAOYSA-N 335.329 3.765 50 40 EHGB Cc1c(/C=N/NC(=O)CC2(C)SCCS2)c2ccccc2n1C 409266559 ZYCDETXYJNWTPV-WOJGMQOQSA-N 347.509 3.523 50 40 EHGB CCCc1n[nH]c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 66884 INPDHFCRMCOTQI-ZDUSSCGKSA-N 349.221 3.887 50 40 EHGB O=C(CCl)NN(Cc1c(F)cccc1Cl)c1ccccc1 152900 ORNUANKXIDQABB-UHFFFAOYSA-N 327.186 3.756 50 40 EHGB Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3ccccc3C)c2)n1 5730775 GNEPIAIJKXMROE-LPYMAVHISA-N 346.434 3.621 50 40 EHGB N#CC(C#N)=Cc1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O 2404904 ZABXYISPPWFPPB-UHFFFAOYSA-N 348.749 3.571 50 40 EHGB CCN1CCC(=NNC(=O)c2sc3ccccc3c2Cl)CC1 55074141 MANJMVYGKFMDRG-UHFFFAOYSA-N 335.860 3.756 50 40 EHGB CCOc1c(Cl)cc(C(=O)NN(C)c2ccccc2)cc1OC 12821773 LJNJNLAAHVQIBI-UHFFFAOYSA-N 334.803 3.529 50 40 EHGB N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Cl 408790740 YCOVAUHDXUFKOW-GXDHUFHOSA-N 337.766 3.788 50 40 EHGB Cc1cc(C(C)(C)C)ccc1OCC(=O)N/N=C/c1ccc(O)cc1 5003520 RSXSDJFPEZLMNB-CIAFOILYSA-N 340.423 3.527 50 40 EHGB ClCCN(CCCl)c1ccc(/C=N\N=C\c2ccncc2)cc1 4522419 IDJFBYDCPMBPTE-VOKWCDJLSA-N 349.265 3.819 50 40 EHGB Cc1ccc(CC(=O)N/N=C/c2c(O)ccc3ccccc23)c(C)c1 20194603 NIGZERQODNRWII-LPYMAVHISA-N 332.403 3.855 50 40 EHGB Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccco2)c1 408997844 OHDUDMSOHVUXHU-FYJGNVAPSA-N 347.374 3.604 50 40 EHGB CC(/C=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1)=C\c1ccco1 4651794 BPUNZVHMNBUMQO-MJDXGZHSSA-N 332.787 3.906 50 40 EHGB N#CSCC(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl 216857915 OGSDKFPNXPMALC-UHFFFAOYSA-N 344.783 3.696 50 40 EHGB Cc1cccc(-n2cccc2/C=N\NC(=O)Cc2ccc(F)cc2)c1C 409242196 VJFGAVWWJRZDIU-UCQKPKSFSA-N 349.409 3.926 50 40 EHGB COc1cc(OC)c(OC)cc1/C=C(/C#N)c1cccc([N+](=O)[O-])c1 33900444 OWKBSRXBJGYFHZ-AUWJEWJLSA-N 340.335 3.685 50 40 EHGB C/C(=N/NC(=O)c1ccccc1Br)c1ccc(F)cc1 33155110 JCKKYNIPYHHYFI-ZDLGFXPLSA-N 335.176 3.742 50 40 EHGB Cc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)cc1C 370504 XLPJXBBZANCYGB-QANDDYDISA-N 348.402 3.817 50 40 EHGB C[C@H]1[C@H](C)[N+]1=P(c1ccccc1)(c1ccccc1)c1ccccc1 104116545 HCQAUQFRBXWIJO-OALUTQOASA-N 332.407 3.967 50 40 EHGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)C[C@@H](C)O3)cc1 408710682 FCGZFEAPGFMWRS-YYTPVVGHSA-N 334.375 3.564 50 40 EHGB CCCOc1ccc2ccccc2c1/C=N\NC(=O)c1cccnc1 409005611 FOASFAVCYKPIGK-HMAPJEAMSA-N 333.391 3.788 50 40 EHGB Cc1cc(C)cc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)c1 38654485 HZOCWCIOCQILRL-UHFFFAOYSA-N 328.368 3.733 50 40 EHGB CCCCCC(=C/c1ccccc1)/C=N/NC(=O)c1ccc[n+](C)c1 1759563 RBLBPBWLECHEIL-IKBLCIQTSA-O 336.459 3.891 50 40 EHGB O=C(Cc1ccccc1)N/N=C/[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl 4697607 AVKBQSAIFACIFT-JIJUWICJSA-N 347.245 3.919 50 40 EHGB C/C(=N\NC(=O)CCSc1ccccc1)c1ccc([N+](=O)[O-])cc1 59473130 KXJCWBIUEYGVKO-QGOAFFKASA-N 343.408 3.617 50 40 EHGB N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)NCCc1ccccc1 3253586 LZHWDSVOGZUQMU-FOWTUZBSSA-N 344.336 3.971 50 40 EHGB COc1ccc(/C=C(\C#N)c2nc(C(C)=O)c(C)s2)cc1OC 5533197 LICBGKXQJBLPPL-NTUHNPAUSA-N 328.393 3.736 50 40 EHGB C/C(=N\NC(=O)CNc1ccc(Cl)cc1)c1ccc(C)cc1C 409359278 BECMQZVBFNSEDQ-KGENOOAVSA-N 329.831 3.909 50 40 EHGB CC(C)COc1cc(NC(=O)CBr)cc2occc12 72207477 SQMWADXEWSNTOJ-UHFFFAOYSA-N 326.190 3.801 50 40 EHGB O=C(N/N=C/[C@]1(c2ccccc2)CC1(Cl)Cl)c1ccccc1 536351 AHGOBFHDJPSKNS-DORSJAEJSA-N 333.218 3.918 50 40 EHGB Cc1noc2nc(C3CC3)cc(C(=O)NNc3cccc(Cl)c3)c12 30614559 HDGMQFONTGNDRD-UHFFFAOYSA-N 342.786 3.819 50 40 EHGB Cc1nc(-c2ccccc2)ccc1C(=O)NNc1ccccc1[N+](=O)[O-] 16202231 QSXFSVSOXVJCQU-UHFFFAOYSA-N 348.362 3.722 50 40 EHGB COc1ccccc1N1CCN(/C(=C/C#N)c2ccc(F)cc2)CC1 75105642 IUYPAOILGCHCON-VCHYOVAHSA-N 337.398 3.521 50 40 EHGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1sc2ccccc2c1Cl 585178 HBEJBLJIPRNDCH-FRKPEAEDSA-N 349.755 3.820 50 40 EHGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(O)cc1O 408735500 SZNTXILJUUFCFD-KPKJPENVSA-N 328.755 3.605 50 40 EHGB O=[N+]([O-])c1ccc(NN=C2c3ccccc3[C@H]2Cl)c([N+](=O)[O-])c1 245241286 ZVJYYXUDNBIUBA-CYBMUJFWSA-N 332.703 3.613 50 40 EHGB N#C/C(=C\c1cccn1-c1ccc(O)cc1)C(=O)Nc1ccc(F)cc1 530235 UFMPQHXMOSZQKT-WYMLVPIESA-N 347.349 3.868 50 40 EHGB Cc1ccc(-n2cccc2/C=N/NC(=O)c2ccccn2)cc1Cl 409009868 AFNJFNSUGACASG-CIAFOILYSA-N 338.798 3.598 50 40 EHGB COc1ccc(/C=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 4314796 JSASTMVYGKWEHG-FYJGNVAPSA-N 326.440 3.752 50 40 EHGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1OC 212796568 KYMNDARCHYKHGW-JYRVWZFOSA-N 342.782 3.903 50 40 EHGB CCc1ccc(OCC(=O)N/N=C/c2cccc3ccccc23)cc1 486398 QGRYSMBIBCWVQC-HYARGMPZSA-N 332.403 3.931 50 40 EHGB C/C(=N\NC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc([N+](=O)[O-])c1 5480050 FQLYGOOGLXMMJW-UDWIEESQSA-N 341.411 3.651 50 40 EHGB O=C(COc1ccccc1Cl)N/N=C/c1c(F)cccc1Cl 566424 XABXIGLETMJTEZ-UFWORHAWSA-N 341.169 3.662 50 40 EHGB C[C@H](Cl)CN(C[C@H](C)Cl)C(=O)Oc1ccccc1[N+](=O)[O-] 1763342 VKOHLMWYXVHOBR-UWVGGRQHSA-N 335.187 3.650 50 40 EHGB C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 4545672 IHXGFANIUKFPRF-KIQGOCCHSA-N 335.791 3.525 50 40 EHGB C/C(=N/NC(=O)CSc1nc2ccccc2s1)c1ccccc1 33324301 PAXJJBRBOLZJOL-UNOMPAQXSA-N 341.461 3.929 50 40 EHGB Cc1ccc(C)c(OCC(=O)N/N=C/C2=CC[C@H]3C[C@H]2C3(C)C)c1 102415232 JRHHNXRSYVBZFO-VJJRWWOPSA-N 326.440 3.777 50 40 EHGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccccc1Cl 2886716 KFYSVUOMMUQMPM-JLHYYAGUSA-N 340.766 3.672 50 40 EHGB C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 409046363 KGUCKEVXRJFBJG-KGENOOAVSA-N 347.374 3.831 50 40 EHGB O=[P@@]1(N(CCCl)CCCl)Oc2cccc3c2N1CCC3 1695833 ZTFDKPXTHYFQHD-FQEVSTJZSA-N 335.171 3.719 50 40 EHGB Cc1cccc(C(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 103721960 GJMGFRPOPCPFQL-NDENLUEZSA-N 349.346 3.927 50 40 EHGB CC[C@H](Br)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 61487901 KPBQMXOONPKIQX-KCJUWKMLSA-N 341.274 3.857 50 40 EHGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(F)cc2F)cc1 3307626 WYJIMMGOANATNI-SSDVNMTOSA-N 346.377 3.791 50 40 EHGB C#CCOc1ccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OC 408583242 SUMPDEKSHQFKJI-GZTJUZNOSA-N 349.386 3.789 50 40 EHGB CCC(CC)=NNC(=O)CSCc1cccc(Br)c1 408719120 GCSFDLRAVJJQJA-UHFFFAOYSA-N 343.290 3.975 50 40 EHGB COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(C)cc1 33738400 PWBCBBVUJOJAQU-ZDLGFXPLSA-N 347.212 3.530 50 40 EHGB CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(C)cc2O)cc1 216068042 APCPNZOBHZCCSY-XSFVSMFZSA-N 326.396 3.643 50 40 EHGB CCc1nnc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)s1 143515 YFLXKJHPASFVPW-NTEUORMPSA-N 326.425 3.770 50 40 EHGB Cn1/c(=N\NC(=O)c2cccc3ccccc23)sc2ccccc21 33401817 TZSAWAZGVGHGRW-XUTLUUPISA-N 333.416 3.639 50 40 EHGB O=C(N/N=C/c1ccc(O)cc1)c1cc(C2CC2)nc2ccccc12 174555 NHLJXNLIDAPUQC-CIAFOILYSA-N 331.375 3.582 50 40 EHGB Cc1ccc(NC(=O)[C@H](Cl)C(=O)c2ccc([N+](=O)[O-])cc2)cc1C 8550694 TVQPYUWOSFOALS-OAHLLOKOSA-N 346.770 3.640 50 40 EHGB Cc1c(NC=C(C#N)C#N)cccc1C(=O)N1CCc2sccc2C1 24254100 DJHQHCVKRPGJGH-UHFFFAOYSA-N 348.431 3.598 50 40 EHGB COc1cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)cc(OC)c1OC 9668276 LUQMUBLLYSVTQU-CXUHLZMHSA-N 337.375 3.811 50 40 EHGB CCN(CC)c1ccc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc1 408718810 LJJABYSINBSDSK-GXKLZZJCSA-N 327.472 3.809 50 40 EHGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccccn1 43775970 HHVMPTSBMJFVNK-HYARGMPZSA-N 333.391 3.788 50 40 EHGB N#C/C(=C/c1c(O)ccc2ccccc12)C(=O)NCc1ccccc1 15219451 UGEADJLXXVXDCH-ATVHPVEESA-N 328.371 3.769 50 40 EHGB Cc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 381238 KAQRAUFWZFFTLS-HXJASHHUSA-N 330.815 3.874 50 40 EHGB N#CC(C#N)=C(C(C#N)=C1Nc2ccccc2N1)c1ccccc1F 801458 XYHAEVKIBJTDQM-UHFFFAOYSA-N 327.322 3.899 50 40 EHGB Cc1cc(/C=N\NC(=O)COc2cccc3ccccc23)cc(C)c1O 110223716 PEHPAULNJKFVNW-UUYOSTAYSA-N 348.402 3.691 50 40 EHGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cccc2ccccc12 408566126 DJHLMOOFASSEPN-UDWIEESQSA-N 349.346 3.521 50 40 EHGB COc1ccccc1N1[C@@H](Cl)C(=O)[C@@H]1c1c[nH]c2ccccc12 5550435 XRJPTXAXTKITJS-FUHWJXTLSA-N 326.783 3.872 50 40 EHGB COc1ccccc1/C=N/NC(=O)CSCc1ccccc1Cl 20248927 YKPKSWSFKTURGC-VXLYETTFSA-N 348.855 3.732 50 40 EHGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccccc2OC)cc1 1319654 XISZCKJHQRUGNK-PCXKXAPESA-N 340.423 3.738 50 40 EHGB Cc1cc(N2CCCCC2)ccc1/C=C(\C#N)C(=O)NCc1ccco1 4090729 PJXUZCLAFHJFHC-QGOAFFKASA-N 349.434 3.802 50 40 EHGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccc(N2CCCC2)cc1 408677555 RTYURVZNBHSTKO-HYARGMPZSA-N 346.434 3.840 50 40 EHGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(Cl)cc1Cl 33318428 ZLEFOQSABCIMLH-OCKHKDLRSA-N 325.170 3.825 50 40 EHGB CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2cccc(F)c2)c1C 96669477 LNQHJEZKBHUKIN-ZSOIEALJSA-N 340.354 3.737 50 40 EHGB C[C@H](c1cc2ccccc2o1)N(C)C(=O)NNC(=O)c1cccs1 32779668 DXVGXZRFDBVLON-LLVKDONJSA-N 343.408 3.542 50 40 EHGB N#CC(C(=O)CSc1nc2ccccc2o1)=C1Nc2ccccc2N1 1940782 LPFANRYIVRDBOK-UHFFFAOYSA-N 348.387 3.762 50 40 EHGB C/C(=N\NC(=O)CSCc1ccc(Cl)cc1)c1ccc(O)cc1 408720265 XBEVYIBGLUFOAY-XDHOZWIPSA-N 348.855 3.819 50 40 EHGB C/C(=N\NC(=O)C1CCCCC1)c1ccc(Br)s1 17067421 RTYQIFABYZMIBT-OQLLNIDSSA-N 329.263 3.931 50 40 EHGB C/C(=N\NC(=O)c1cc(C2CC2)n[nH]1)c1ccc2c3c(cccc13)CC2 544599 VMUMXAMRSYMFTQ-WSDLNYQXSA-N 344.418 3.693 50 40 EHGB Cc1cc(N2CCCC2)ccc1/C=C(\C#N)C(=O)NC1CCCCC1 580327 JNBOVCYURJWRQE-NBVRZTHBSA-N 337.467 3.951 50 40 EHGB C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1cccs1 5288373 XOUZAWNMIHYDML-RQZCQDPDSA-N 343.235 3.974 50 40 EHGB O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ccc(Cl)c(Cl)c1 45328267 FAZACVCXKKDXIF-UHFFFAOYSA-N 340.166 3.587 50 40 EHGB C/C(=N\NC(=O)c1cc(Br)c[nH]1)[C@@H]1C[C@H]1c1ccccc1 585145968 UBCHSQAZRQJZLH-YVTGBJBKSA-N 346.228 3.687 50 40 EHGB CC(C)c1ccc([C@@H]2Nc3nc4ccccc4n3C(N)=C2C#N)cc1 20086183 UNSKEBIXFKRSHU-SFHVURJKSA-N 329.407 3.977 50 40 EHGB COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c1 260805 OWZWMMGZMGDDEV-HYARGMPZSA-N 347.418 3.867 50 40 EHGB O=C(CCl)Nc1ccc(Oc2ccc(Br)cc2)nc1 47844025 XHSGDRGREURYTN-UHFFFAOYSA-N 341.592 3.814 50 40 EHGB in-vitro CC(=C/c1ccccc1)/C=N/NC(=O)c1nnc(-c2ccccc2)o1 63423463 LYFRXRZRJVEFST-RUKGVYQZSA-N 332.363 3.556 50 40 EHGB COc1cccc([C@@H]2[C@H]3C[C@@H](C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 13510586 LWQBCYAGJBCXKH-SOVGHPHASA-N 344.418 3.535 50 40 EHGB O=C(Cc1c[nH]c2ccccc12)NNc1ccccc1C(F)(F)F 6077522 MQBJGWBMAHVZMH-UHFFFAOYSA-N 333.313 3.873 50 40 EHGB C=CCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1 33665223 NTNUUEUMJQBMAS-HYARGMPZSA-N 346.386 3.874 50 40 EHGB C[C@@H](Cl)CN(Cc1cc(Cl)c(O)cc1O)C[C@@H](C)Cl 95876734 ZUFJAUDVFHWSNC-RKDXNWHRSA-N 326.651 3.808 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(OC)c1 224514 KBKNIFHQHVMAHR-MHWRWJLKSA-N 336.391 3.866 50 40 EHGB COc1cc(/C=C(\C#N)C(N)=S)ccc1OCc1cccc(F)c1 135349 SIQDPERYQDQGDF-VGOFMYFVSA-N 342.395 3.606 50 40 EHGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2C)OCO3)cc1C 6215611 OAFQQHNAPKAJSO-LZYBPNLTSA-N 334.375 3.886 50 40 EHGB N#C/C(=C/c1c[nH]nc1-c1ccc(F)cc1)C(=O)NC1CCCCC1 17070981 ZWIMRQAMKVDKGI-UVTDQMKNSA-N 338.386 3.572 50 40 EHGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccccc1Cl 370005 WCDZFNKPWPXDMY-WOJGMQOQSA-N 331.759 3.711 50 40 EHGB N#C/C(=C\c1ccccc1I)c1ccccn1 5865936 IKWNJLKQFINQMG-FMIVXFBMSA-N 332.144 3.750 50 40 EHGB COc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(CCCl)CC3 25971621 MIIXMAVYCIYXOG-OAHLLOKOSA-N 329.827 3.762 50 40 EHGB Cc1ccc(N2Cc3ccc(C(=O)N/N=C/c4ccco4)cc3C2)cc1 58871960 OGFPSIMPIPOZJB-WSDLNYQXSA-N 345.402 3.872 50 40 EHGB CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)N(C)C)c2c1 408772168 DRCWZMLYLNUCOJ-PTNGSMBKSA-N 338.407 3.632 50 40 EHGB Cc1ccc(C(=O)NNc2nc(O)c3ccccc3n2)c2ccccc12 1648629749 NDPNAEQHNCUDKW-UHFFFAOYSA-N 344.374 3.554 50 40 EHGB CC(C)(C)c1cc(C(=O)NN=C2c3ccccc3-c3ccccc32)[nH]n1 336202 FIXCYHUDWREACK-UHFFFAOYSA-N 344.418 3.870 50 40 EHGB O=C(CSc1ccccc1)N/N=C/c1ccc(N2CCCCC2)o1 408998835 QOFXSYJKZDOYPV-CPNJWEJPSA-N 343.452 3.512 50 40 EHGB COc1cc(/C=C(\C#N)C(=O)C(C)(C)C)cc(Br)c1O 3298552 UIEQRZNMEBAUJO-BJMVGYQFSA-N 338.201 3.685 50 40 EHGB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)CCl)cc1 5024249 UYONMCUQGRSYML-UHFFFAOYSA-N 343.766 3.850 50 40 EHGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccccc1 6295423 KVFDMPNIUJZGON-XQNSMLJCSA-N 342.398 3.545 50 40 EHGB N#CC(C#N)=Cc1ccc(-c2ccc(N3CCOCC3)s2)s1 16430799 PURCCNZTUWNYBJ-UHFFFAOYSA-N 327.434 3.744 50 40 EHGB CCC(CC)=NNC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 58885752 XIKBPVKJOSYQDJ-UHFFFAOYSA-N 339.395 3.710 50 40 EHGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Br)o1 252483288 DYOGPKBEELUTMW-DHZHZOJOSA-N 331.169 3.896 50 40 EHGB C#CCOc1cccc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c1 409257628 SWTVASIGZGTVMU-XQNSMLJCSA-N 348.446 3.689 50 40 EHGB CCOc1ccccc1/C=N/NC(=O)[C@@H](C)Oc1cccc(Cl)c1 267323 BCULSXNYDYJCOD-HMHKGCENSA-N 346.814 3.656 50 40 EHGB CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)c1 8846160 STADPNFYANKONY-FQEVSTJZSA-N 349.434 3.912 50 40 EHGB C[C@@H]1CC=C2[C@H](C1)[C@H](c1ccccc1F)C(C#N)=C(N)C2(C#N)C#N 34917046 IZDFGUXRWGVVCH-IAISJRAMSA-N 332.382 3.665 50 40 EHGB O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 486718 LDHRAUWNEALYJY-CAOOACKPSA-N 338.150 3.666 50 40 EHGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cccc2ccccc12 491579 ZOLMBFGBNKREHK-LPYMAVHISA-N 332.403 3.986 50 40 EHGB Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1cccc2ccccc12 4739227 RZIXILSYUAKPNZ-LPYMAVHISA-N 330.391 3.611 50 40 EHGB Cc1cc(Cl)ccc1C(=O)[C@@H](Br)CBr 307273998 LLEMOWAFZRHNHT-VIFPVBQESA-N 340.442 3.990 50 40 EHGB CCn1c(C)cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)c1C 409107678 TUFRESNMGODKGW-RGVLZGJSSA-N 339.395 3.644 50 40 EHGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1c[nH]c2ccccc12 408757434 ZVYCLUZKIVIZHB-UVTDQMKNSA-N 329.359 3.916 50 40 EHGB O=C(N/N=C/c1cccn1-c1ccc(O)cc1)c1ccc(Cl)cc1 409021435 HJKZFRWUUGAMSH-UDWIEESQSA-N 339.782 3.600 50 40 EHGB Cc1cccc(C(=O)Nc2ccc(NC(=O)CBr)cc2)c1 35605390 YVBRHNVUOMAQFN-UHFFFAOYSA-N 347.212 3.581 50 40 EHGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N\NC(=O)c3ccco3)cc21 208458841 FWYCSFVKCRHODN-MTJSOVHGSA-N 337.423 3.984 50 40 EHGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1 58863 XVKQRMZWKFHXFP-VXLYETTFSA-N 336.222 3.823 50 40 EHGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccsc1 141967 MVHCWIZQTNTNAJ-KRWDZBQOSA-N 325.437 3.812 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc1C 408810815 JPYRHGRGFZRBFG-LFIBNONCSA-N 336.391 3.866 50 40 EHGB CCOc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)c(O)c1 3087235 FHTJOQDCKFXLJY-HYARGMPZSA-N 348.402 3.637 50 40 EHGB N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cccc(Br)c1 141758 LQXYRPMDNUNXJM-XYOKQWHBSA-N 343.180 3.700 50 40 EHGB COC(=O)N/N=C/c1ccc(O[C@H](C)c2ccccc2)c(OC)c1 4525957 GIMYBDDERNEMPA-KZKLBEMASA-N 328.368 3.525 50 40 EHGB O=C(COc1ccc2ccccc2c1)N/N=C/CCc1ccccc1 5682375 UVJWQJZIDMTCMF-HYARGMPZSA-N 332.403 3.953 50 40 EHGB O=C(NNc1ccc(F)cc1)c1cn2cc(Cl)cc(Cl)c2n1 5728903 XHYIRRFCODBMSK-UHFFFAOYSA-N 339.157 3.537 50 40 EHGB CCOC(=O)c1cccc(N/C=C(\C#N)c2nc3ccccc3[nH]2)c1 13004594 HXDPJNRBDJEWID-WYMLVPIESA-N 332.363 3.716 50 40 EHGB C[C@H]1CN(C(=O)/C(C#N)=C/c2ccc(C(C)(C)C)cc2)C[C@H](C)O1 27026226 WTAZHUZMMYBVQM-VOSWBJTRSA-N 326.440 3.527 50 40 EHGB O=C(N/N=C\c1ccc(Br)cc1)c1cc2ccccc2o1 35993618 OKNJXODGTSJWGS-ZDLGFXPLSA-N 343.180 3.959 50 40 EHGB CCCCCNC(=O)NNC(=O)c1sccc1-c1ccc(C)cc1 40051419 YZEYGFWKBYHBTA-UHFFFAOYSA-N 345.468 3.858 50 40 EHGB N#CC1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1ccccc1[N+](=O)[O-] 584818 DXYCAKUELSHHMS-GOSISDBHSA-N 343.342 3.966 50 40 EHGB COc1ccc(N(CCC#N)C(=O)/C(C#N)=C/c2cccs2)cc1 1770592 RJNGNGSKPHWRHL-WYMLVPIESA-N 337.404 3.611 50 40 EHGB N#C/C(=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(N)=O 3255628 ICVYHYNCNOOALL-XYOKQWHBSA-N 347.201 3.965 50 40 EHGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(C#N)cc2)c1 3268999 RTVFTRDXTDGCGQ-WSDLNYQXSA-N 335.407 3.519 50 40 EHGB CC(C)CN(C(=O)CCl)c1nnc(-c2cccc(F)c2)s1 13998048 AUZQXRUSFFJBCK-UHFFFAOYSA-N 327.812 3.572 50 40 EHGB CC(C)[C@@H](Br)C(=O)Nc1nc2c(F)cccc2s1 20133529 GSOLZFGEMYGJAW-SECBINFHSA-N 331.210 3.793 50 40 EHGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(N2CCCC2)o1 23410783 FZTOWSCSGNJPIG-DTQAZKPQSA-N 335.407 3.988 50 40 EHGB COC(=O)/C(C#N)=C(\SC)[C@H]1C(=C(C#N)C#N)C=C(C)CC1(C)C 59662427 KUBAGJPJLOKMAM-VZHUHSAUSA-N 341.436 3.636 50 40 EHGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC2CCCCC2)c1C 4494358 XPUMXQHNCABDTB-XDHOZWIPSA-N 344.455 3.782 50 40 EHGB CC(/C=C/C=C/c1ccccc1)=N/NC(=O)c1ccc2c(c1)OCO2 4616912 MABHSEVHPDCXBE-DWJXPLMOSA-N 334.375 3.791 50 40 EHGB O=C(N/N=C/c1c[nH]c2ccccc12)NC12CC3CC(CC(C3)C1)C2 4878613 VEZVYUFDXGHLKX-WSDLNYQXSA-N 336.439 3.770 50 40 EHGB CC/C(=N\NC(=O)c1ccccc1Br)c1ccc(O)cc1 15938771 QBWCHJZUXXSXDF-OBGWFSINSA-N 347.212 3.699 50 40 EHGB Cc1cccc(C(=O)N/N=C/c2ccc(-c3ccccc3C#N)o2)c1 409008132 UIXGGECNWRJSTR-LPYMAVHISA-N 329.359 3.891 50 40 EHGB O=C(Nc1ccccc1)ON1C(=O)c2ccccc2O[C@H]1CCCl 160898 VRSKQVVJNBPELK-HNNXBMFYSA-N 346.770 3.640 50 40 EHGB CCOc1ccc(/C=C(\C#N)c2nc(N)c3ccccc3n2)cc1OC 24567131 ABFFEGVISROEAY-GXDHUFHOSA-N 346.390 3.683 50 40 EHGB C[C@@H]1Oc2ccccc2C=C1/C=C(\C#N)c1nc(=O)c2ccccc2[nH]1 12438492 LYCXOIVLRNRCSF-XDUBLRSXSA-N 341.370 3.695 50 40 EHGB CC(C)(CCl)C(=O)N1C(=O)C(C)(C)CSc2ccccc21 2180779 OALMRERZYUCMBF-UHFFFAOYSA-N 325.861 3.943 50 40 EHGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(Cl)c2)cc1 255597080 JKMLWNCYLXVNGH-UKTHLTGXSA-N 342.782 3.903 50 40 EHGB N#C/C(=C\Nc1ccc(Br)cn1)c1nc2ccccc2o1 3021337 HZZXJTIKTWKNKF-CSKARUKUSA-N 341.168 3.962 50 40 EHGB CCCCOc1ccc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)cc1 3152104 DWWSVDYYIVDYSH-QTKYHAHDSA-N 340.423 3.703 50 40 EHGB Nc1ccc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 3574208 QGKCBLQMNWPDGI-HYARGMPZSA-N 331.375 3.825 50 40 EHGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccccc2F)c1 5539024 MYNOUVUTKGQLNA-KEBDBYFISA-N 330.428 3.826 50 40 EHGB Cc1cc(C)c(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)c1 408542303 KMDTZIYUACPHJU-YBEGLDIGSA-N 334.375 3.856 50 40 EHGB Cc1ccc(NC(=O)/C(C#N)=C/c2sccc2C)c([N+](=O)[O-])c1 408922093 DDEHJTPUNLBWDM-XYOKQWHBSA-N 327.365 3.819 50 40 EHGB O=C(N/N=C/c1cccn1-c1ccc(O)cc1)c1ccccc1Cl 409022668 ORGDHOKMJNSUBN-UDWIEESQSA-N 339.782 3.600 50 40 EHGB Cc1cc(OCC(=O)N/N=C/c2ccc(Cl)cc2)ccc1Cl 566279 MDMKKFYGRRIFAW-DJKKODMXSA-N 337.206 3.831 50 40 EHGB CCCc1cc(C(=O)N/N=C/c2ccccc2OC)c2ccccc2n1 1595120 CWHKFNBEUJZWIR-HYARGMPZSA-N 347.418 3.960 50 40 EHGB Cc1ccsc1/C=C(\C#N)c1nn(-c2ccccc2)c(N)c1C#N 3903038 OGHNPHMMAUOKJA-UKTHLTGXSA-N 331.404 3.760 50 40 EHGB CCCCCCCC(=O)NNC(=O)COc1ccccc1C(C)C 97940387 SYENZLRHRMQMJG-UHFFFAOYSA-N 334.460 3.697 50 40 EHGB COc1ccc(/C=C(/C#N)Cn2cnc3ccccc32)cc1[N+](=O)[O-] 408691481 AGTPFWWOORQFLL-ZSOIEALJSA-N 334.335 3.560 50 40 EHGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\C=C\c1ccccc1[N+](=O)[O-] 585145701 BAWPPOCLJNFCOX-JQQIYAPKSA-N 339.395 3.753 50 40 EHGB N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccccc1 477584 UAOADYASEAREGY-FZKQIMNGSA-N 348.427 3.957 50 40 EHGB N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 502512 YXMCPYDMUBCSPG-XYOKQWHBSA-N 332.319 3.622 50 40 EHGB CCCC[C@@H](C(=O)O)C(=O)N(Nc1ccccc1)c1ccccc1 1843306 FLWFHHFTIRLFPV-QGZVFWFLSA-N 326.396 3.938 50 40 EHGB in-man CCCCCCC/C=N/NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C 8426998 DQWFCDQSAWMVKI-CQHJRZBDSA-N 345.487 3.904 50 40 EHGB CCOC(=O)c1ccc(N/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 13004591 XQOFCIQZDACVTD-WYMLVPIESA-N 332.363 3.716 50 40 EHGB Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 195752247 ATCYEIZLYNNIIC-MTJSOVHGSA-N 348.358 3.717 50 40 EHGB COc1ccccc1C(=O)N/N=C(\C)c1ccc(Br)cc1 5002649 DEUACGDZCOLJQL-WOJGMQOQSA-N 347.212 3.612 50 40 EHGB COc1ccc(C(=O)CSC(Nc2ccccc2)=C(C#N)C#N)cc1 6388997 IEYWFFQYMXQULZ-UHFFFAOYSA-N 349.415 3.982 50 40 EHGB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCSSCC1 89591125 PQLOISKETFWGMK-NSHDSACASA-N 331.890 3.639 50 40 EHGB CC/C(=N/NC(=O)CSc1nc2ccccc2[nH]1)c1ccccc1 4032218 HBHKQWORZBJNNV-STZFKDTASA-N 338.436 3.586 50 40 EHGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OC(C)C 8812389 SDGICDNKETXZGN-CIAFOILYSA-N 344.386 3.776 50 40 EHGB CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1 8846137 XAKXQLJJEMGOAW-IBGZPJMESA-N 335.407 3.666 50 40 EHGB CCCCCC[C@H]1/C(=N/NC(=O)c2ccccc2)CC[C@@H]1C(=O)OC 13136893 BATQKXRPAFSNEO-FBCYZVNJSA-N 344.455 3.942 50 40 EHGB C/C(=N\NC(=O)[C@H](C)Sc1ccccc1)c1cccc([N+](=O)[O-])c1 20248897 WVXZJQUSBMBJGZ-HTMJNSLASA-N 343.408 3.616 50 40 EHGB COc1cc(C)c(/C=C(/C#N)C(=O)NCc2ccco2)cc1C(C)C 33900066 DRIBRZJPGAIUQI-SXGWCWSVSA-N 338.407 3.943 50 40 EHGB Cc1ccc(C(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 33903121 WRVHPMZPGKGMET-NDENLUEZSA-N 349.346 3.927 50 40 EHGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cccnc3)cc21 208203328 LZXVGQZYJLEWQY-LVCXCXRVSA-N 336.439 3.568 50 40 EHGB N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 142148 JSQVYMTUGXCMGY-XYOKQWHBSA-N 332.281 3.957 50 40 EHGB CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1c[nH]c2ccccc12 993701 OBNIQYOMGDBUDM-YDZHTSKRSA-N 349.434 3.995 50 40 EHGB CCn1cc(/C=N/NC(=O)CC2(C)SCCS2)c2ccccc21 6948192 RSVBGPOOVRDWHV-WOJGMQOQSA-N 347.509 3.698 50 40 EHGB Cc1ccccc1OCC(=O)N/N=C/c1cccc(C(F)(F)F)c1 14017303 ZGNDLDPSAVIPDE-UFFVCSGVSA-N 336.313 3.543 50 40 EHGB C/C(=N\NC(=O)CSCc1ccccc1Cl)c1ccc(O)cc1 408719630 IIDVXUZZXQNKCX-XDHOZWIPSA-N 348.855 3.819 50 40 EHGB CC1(C)[C@]2(C)CC[C@]1(C(=O)NCc1ccccc1)[C@@H]2Br 100868537 ZPRZTROVUOVYNM-KBRIMQKVSA-N 336.273 3.893 50 40 EHGB Cc1ccc(O)c(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)c1 3118510 NIEYJLSCPLWYBJ-SRZZPIQSSA-N 340.423 3.662 50 40 EHGB N#C/C(=C\c1csc(Br)c1)c1nnc2n1CCCCC2 12980617 ARYSBKFZPYSRGD-IZZDOVSWSA-N 349.257 3.893 50 40 EHGB CCOc1ccccc1/C=N/NC(=O)c1ccccc1Br 3572264 OLIWWXMTCCDLSF-WOJGMQOQSA-N 347.212 3.612 50 40 EHGB COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1 4616869 DAQTWYAJJKDSNW-MHWRWJLKSA-N 336.391 3.866 50 40 EHGB Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C#N)cc1 5533449 NTILVNIKUMEPMD-UHFFFAOYSA-N 342.358 3.534 50 40 EHGB CCCCOc1ccc(/C=N/NC(=O)Cc2ccc(F)cc2)cc1 2080791 AHNNKKFAQOPLIJ-KGENOOAVSA-N 328.387 3.697 50 40 EHGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)Nc1ccccc1 5234645 ISAYOIDZSBFEOV-DEDYPNTBSA-N 333.395 3.645 50 40 EHGB C/C(=N\NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(N(C)C)cc1 16136823 HWXUZDOMOPYDNX-HYARGMPZSA-N 339.483 3.809 50 40 EHGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Cl 3615977 FZUDQRHIUKSROG-FMIVXFBMSA-N 327.727 3.794 50 40 EHGB O=C(NNC(=O)c1cccc(Cl)c1Cl)c1ccc(Cl)cc1 568819 ZNBNTEJFHLOEQB-UHFFFAOYSA-N 343.597 3.722 50 40 EHGB N#C/C(=C\c1ccc(N2CCCC2)o1)C(=O)Nc1ccc(F)cc1 1101002 JXBNQHCLGYKEOZ-ACCUITESSA-N 325.343 3.565 50 40 EHGB Cc1ccc(C)c(S(=O)(=O)/C(C#N)=C\Nc2ccc(F)cc2)c1 67197361 OBJNGZRAMJFIBC-WJDWOHSUSA-N 330.384 3.693 50 40 EHGB Cc1ccc(C)n1NC(=O)/C(C#N)=C/c1c(C)n(C)c2ccccc12 409375875 QISLQLBHQKQDRR-LFIBNONCSA-N 332.407 3.582 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC 16048101 VKDNZWAJMPEHTN-UKTHLTGXSA-N 342.782 3.903 50 40 EHGB C=CCOc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1 6312947 FMYWHEZRXUKAFM-XDJHFCHBSA-N 332.403 3.517 50 40 EHGB C/C(=N\NC(=O)c1ccccc1O)C1=CNc2ccccc2S1 59364729 KADSVTXTDGMAEY-YBFXNURJSA-N 325.393 3.557 50 40 EHGB O=C(COc1ccccc1-c1ccccc1)N/N=C/c1ccc(O)cc1 511407 LSXVIUSERPKQEZ-HYARGMPZSA-N 346.386 3.588 50 40 EHGB C=CCOc1cccc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)c1 59401591 BYNFQOJBHDFKGJ-NPQOUYBPSA-N 340.448 3.882 50 40 EHGB O=C(NNc1ccc(F)cc1F)Nc1cc(Cl)nc(Cl)c1 162973 SZTMANSKVHXZTQ-UHFFFAOYSA-N 333.125 3.815 50 40 EHGB Cc1ccc(OCC(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1C 530733 FPXQLVYCOQAEEX-WSDLNYQXSA-N 349.434 3.633 50 40 EHGB C/C(=N\NC(=O)CCC(=O)Nc1ccccc1)c1ccc(Cl)cc1 4698713 SEOAYHWZBQUGNO-FYJGNVAPSA-N 343.814 3.599 50 40 EHGB COc1ccc([C@H]2[C@H]3CCCCC=C3C(N)=C(C#N)C2(C#N)C#N)cc1 6160538 LFCXJLLCFZUGQB-LPHOPBHVSA-N 344.418 3.679 50 40 EHGB C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1ccc(Cl)cc1 11582367 WVTFDWVYOVRJFH-ORPVNXHJSA-N 337.206 3.911 50 40 EHGB CC(C)c1ccc(C=NNC(=O)COc2ccc(Cl)cc2)cc1 16787142 PHBGBHRSASOARC-UHFFFAOYSA-N 330.815 3.993 50 40 EHGB CC1(C)[C@@H](C(=O)NC(C#N)=C(Cl)Cl)[C@@H]1C=C(Cl)Cl 27562293 AFTMDBUWOXYFQD-YLWLKBPMSA-N 328.026 3.864 50 40 EHGB Cc1ccc(/C=N\NC(=O)COc2cc(Cl)ccc2Cl)s1 67192627 LJYXIICMOKRREP-IDUWFGFVSA-N 343.235 3.892 50 40 EHGB O=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccc(F)cc2F)o1 408600542 CUWYMOAKFCLLCT-WSDLNYQXSA-N 340.329 3.918 50 40 EHGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 408745236 KTGOZECQZPCXFB-QINSGFPZSA-N 336.778 3.898 50 40 EHGB Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccccc1F 408995773 NHQICNXDBORDHC-RGVLZGJSSA-N 325.343 3.590 50 40 EHGB N#C/C(=C\c1ccc(Br)o1)C(=O)Nc1ccc(F)cc1 409211030 MJTYPCXDTAQGFN-VQHVLOKHSA-N 335.132 3.727 50 40 EHGB O=C(NNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 568810 LBWJQFJCKWMMFF-UHFFFAOYSA-N 343.597 3.722 50 40 EHGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)s1 39327244 KARBYZGOVTUYAU-ZDUSSCGKSA-N 334.828 3.852 50 40 EHGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1c(Cl)cccc1Cl 405751 KDFCLRRMHUFBRS-AWEZNQCLSA-N 333.174 3.917 50 40 EHGB COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 5131083 IWVPVIIUZBYATI-GXDHUFHOSA-N 340.766 3.672 50 40 EHGB COc1ccc(-n2cccc2/C=C(/C#N)C(=O)NC2CCCCC2)cc1 59105252 VKJAPNTVIUTLBD-PEZBUJJGSA-N 349.434 3.842 50 40 EHGB O=P(CCN1CCCCCC1)(c1ccccc1)c1ccccc1 494603 NOOKHOPBSKUIOO-UHFFFAOYSA-N 327.408 3.877 50 40 EHGB N#CC1=C(N)Oc2cc(O)cc(O)c2[C@H]1c1c(Cl)cccc1Cl 408174 UGFKRDOAXVWHIB-CYBMUJFWSA-N 349.173 3.623 50 40 EHGB CN(c1ccccc1)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1 3067996 XOROWNQKKYCROS-PXLXIMEGSA-N 345.402 3.924 50 40 EHGB C[C@H]1C=CCC(C)(C)[C@@H]1C(=O)C[C@@H](C)NNC(=O)c1ccccc1 4548338 VMCBOPPLRJUNNR-DAYGRLMNSA-N 328.456 3.507 50 40 EHGB C/C(CCc1ccc2c(c1)OCO2)=N\NC(=O)c1ccc(C)cc1C 4863751 QRDGGKSPOCMJMY-RCCKNPSSSA-N 338.407 3.771 50 40 EHGB CNC(=O)/C(C#N)=C\c1ccc(OCc2c(F)cccc2Cl)cc1 408600736 FTLXMOVUPVVMBF-LCYFTJDESA-N 344.773 3.711 50 40 EHGB Cc1cc2c(cc1C)CN(CC(=O)N/N=C/c1ccc(C(C)C)cc1)C2 8336792 BNUFCHKCKLNQOS-FOKLQQMPSA-N 349.478 3.893 50 40 EHGB CCCOc1ccc(/C=N/NC(=O)COc2cccc(CC)c2)cc1 1781960 WRYGXUPNGLSKPR-KGENOOAVSA-N 340.423 3.567 50 40 EHGB N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1 12321008 UZVBXQDHMVRALQ-JXFKEZNVSA-N 342.398 3.895 50 40 EHGB COc1ccc(CNC(=O)/C(C#N)=C\c2c(C)cc(C)cc2C)cc1 408818536 YJAAUWNNXJPYCK-WQRHYEAKSA-N 334.419 3.844 50 40 EHGB COc1ccc(/C=N\N(C)C(=O)Nc2cccc(Cl)c2)cc1OC 17126284 IYSCQTTYBOTLRQ-ODLFYWEKSA-N 347.802 3.855 50 40 EHGB CCOc1ccc(/C(C)=N/NC(=O)[C@H](C)Sc2ccccn2)cc1 188565 OUTZGCWQPFYGNT-ZXOFLVKFSA-N 343.452 3.501 50 40 EHGB O=C(CCl)Nc1nnc(SCc2ccc(Cl)cc2)s1 485004 LXOBPJZCLSDGNJ-UHFFFAOYSA-N 334.253 3.661 50 40 EHGB N#C/C(=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(N)=O 59133312 AYLGNJXAPOOEBC-MDWZMJQESA-N 347.201 3.965 50 40 EHGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(OC)c2)cc1 1319677 WQBPDOZNJFLQBQ-PCXKXAPESA-N 340.423 3.738 50 40 EHGB Cc1ccc(C(=O)NCP(=O)(c2ccccc2)c2ccccc2)cc1 102478786 KQRYXTJOMSUZPU-UHFFFAOYSA-N 349.370 3.696 50 40 EHGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)C(N)=O 3254357 COXFJFGJPMGSEH-PDGQHHTCSA-N 328.371 3.811 50 40 EHGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(O)c2)cc1 3225941 GDTFSFAIIBRDEM-FOWTUZBSSA-N 335.407 3.784 50 40 EHGB CCN(CC)c1ccc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc1 408718809 LJJABYSINBSDSK-AUQFFCEISA-N 327.472 3.809 50 40 EHGB CCOc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)c(OCC)c1 409059183 UWKHGDWDDKYVDH-ZHZPBERKSA-N 344.455 3.760 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1OC 6048328 VYQYRPVQMGAXIR-YBFXNURJSA-N 332.787 3.511 50 40 EHGB N#Cc1cccc(C(=O)NN(Cc2ccccc2)c2ccccc2)c1 32999493 WNYZCPPJRHJWNU-UHFFFAOYSA-N 327.387 3.910 50 40 EHGB N#C/C(=C/c1ccccc1)c1nn2c(-c3ccccc3)nnc2s1 6343896 NQGZCVBVRJPVIQ-PTNGSMBKSA-N 329.388 3.917 50 40 EHGB CC[C@@H](Br)C(=O)Nc1nc2c(F)cc(F)cc2s1 20132326 AWMZQOQTNONOBE-ZCFIWIBFSA-N 335.173 3.687 50 40 EHGB CSc1nnc(SSc2nnc(SC)s2)s1 4719048 QKBXWUPLUJZGAM-UHFFFAOYSA-N 326.544 3.633 50 40 EHGB CCOc1ccc(/C=N/NC(=O)CSCc2ccc(C)cc2)cc1 59473082 MGUKGHWUWQIUAN-UDWIEESQSA-N 342.464 3.777 50 40 EHGB Cc1ccccc1OCC(=O)N/N=C/c1c(Cl)cccc1Cl 584664 BUAOJVXRXLEBBU-DJKKODMXSA-N 337.206 3.831 50 40 EHGB CCOc1ccc(/C=C(\C#N)C(=O)c2cccc3c2OCCO3)cc1 179707769 JQOBIVULGICVOB-NTCAYCPXSA-N 335.359 3.646 50 40 EHGB COc1ccc(/C=C/C(=O)C(C#N)=C2Nc3ccccc3N2)cc1OC 1296433 NQTCBXUFZTXNAW-VQHVLOKHSA-N 347.374 3.559 50 40 EHGB biogenic CCNC(=O)/C(C#N)=C/c1ccccc1OCc1cccc(Cl)c1 408810016 JSSYUQMNMNXLQJ-LFIBNONCSA-N 340.810 3.962 50 40 EHGB CC(=O)Oc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1 408758631 OFLFRFVQRRXELB-RIYZIHGNSA-N 340.766 3.811 50 40 EHGB C[C@H]1C[C@@H](NNC(=O)c2ccc(Br)cc2)CC(C)(C)C1 32109839 WWLNGDVKZPREJT-SMDDNHRTSA-N 339.277 3.898 50 40 EHGB COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)cc(Cl)c1OC 3614272 BVVDRGKKVIRFRX-MDWZMJQESA-N 348.830 3.713 50 40 EHGB C/C(=N/NC(=O)c1cc(-c2cccs2)n[nH]1)c1ccccc1Cl 27489817 XPAGMLGXOXPZSE-ZDLGFXPLSA-N 344.827 3.946 50 40 EHGB CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2ccccc2C)c1C 13137319 MMMQNCXVHRYVEV-MHWRWJLKSA-N 336.391 3.907 50 40 EHGB CN1C(=O)N2C=CC=CC2=C(C#N)[C@]1(c1ccccc1)C(F)(F)F 6551166 JFFZEDYUSHLTLQ-MRXNPFEDSA-N 331.297 3.673 50 40 EHGB CCOC(=O)/C(C#N)=C/Nc1nc(-c2c[nH]c3ccccc23)cs1 7067342 DVCGYIUCNNADFI-DHZHZOJOSA-N 338.392 3.674 50 40 EHGB Cc1cccc(C)c1N[C@@H](C)C(=O)N/N=C\c1c[nH]c2ccccc12 30726600 WFDIHXSEPFIFFS-QZDMBBGESA-N 334.423 3.735 50 40 EHGB COc1cccc(C(=O)N/N=C(\C)c2ccc3ccccc3c2O)c1 4860227 WLSLBEBIIDNIIX-FYJGNVAPSA-N 334.375 3.708 50 40 EHGB C#CCn1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21 6295453 UNJVQOWQNBSYOT-CIAFOILYSA-N 335.794 3.692 50 40 EHGB CCCOC(C)(C)C(=O)Nc1ccc(OCCBr)cc1 225726816 NXWPNDVAILGCIN-UHFFFAOYSA-N 344.249 3.604 50 40 EHGB C=CCn1c(C)c(/C=N\NC(=O)c2ccccc2OC)c2ccccc21 408950353 GYUKZSXTSQJYDX-HMAPJEAMSA-N 347.418 3.908 50 40 EHGB CCn1c(C)nc2cc(C(=O)N/N=C(\C)c3cccs3)ccc21 5657928 DUOHXRYCKVKOHY-YBFXNURJSA-N 326.425 3.580 50 40 EHGB O=C(NN=C(c1ccccc1)c1ccccc1)c1cccnc1S 70004863 JTAXCAXKICXYDU-UHFFFAOYSA-N 333.416 3.553 50 40 EHGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c2c(c1)C[C@H](C)O2 96316199 SZDFACQABXWMHJ-VEJKBTLKSA-N 348.402 3.873 50 40 EHGB O=S(=O)(Cc1ccccc1)[C@@H](Br)c1ccccc1 17020592 WSAVKRNOQDMKLH-CQSZACIVSA-N 325.227 3.695 50 40 EHGB CCCC[C@@H](/C=N/NC(=O)C(=O)N/N=C/[C@H](CC)CCCC)CC 5553486 WSYPLYFUPPXGPJ-FVRQNWKXSA-N 338.496 3.623 50 40 EHGB Cc1cc(C)cc(O[C@H](C)C(=O)N/N=C/c2ccc(Cl)cc2)c1 93948 OIRLXQYPHSURRP-XLTHYULKSA-N 330.815 3.874 50 40 EHGB O=P(c1ccccc1)(c1ccccc1)[C@@H](O)c1ccc(F)cc1 159123 QXTFKOSIJXEMSI-LJQANCHMSA-N 326.307 3.831 50 40 EHGB COc1ccccc1/C=C(\C#N)C(=O)Nc1nc2c(s1)CCCC2 2888776 XURLDSJVPLPQHU-JLHYYAGUSA-N 339.420 3.576 50 40 EHGB O=[P@@]1(N(CCCl)CCCl)Nc2cccc3c2N1CCC3 104136295 MSUIXPBKUBGVPN-HXUWFJFHSA-N 334.187 3.752 50 40 EHGB CC(C)C1=CC(=NNC(=O)Nc2ccccc2)C=C(C(C)C)C1=O 101983216 WKCXCQSDAVPHLM-UHFFFAOYSA-N 325.412 3.912 50 40 EHGB O=C(NN=C1CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1 55071977 BRBVPHMNQZMHNB-UHFFFAOYSA-N 341.842 3.722 50 40 EHGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)NCCc2ccccc2)cc1 96482326 DSYHCKPVSOYZFG-SILNSSARSA-N 347.462 3.799 50 40 EHGB Cc1nc2ccccc2nc1COc1ccccc1C=C(C#N)C#N 16265493 OWJZKPUUULAUDZ-UHFFFAOYSA-N 326.359 3.948 50 40 EHGB C/C(=N\NC(=O)c1cccs1)c1ccc(Br)s1 5480168 PMLJSIVNUAGEPX-NTUHNPAUSA-N 329.244 3.726 50 40 EHGB COc1ccc(-c2nc(C(=O)NN(C)c3ccccc3)cs2)cc1 11354800 HZSHNFMNVRSJLF-UHFFFAOYSA-N 339.420 3.600 50 40 EHGB O=S(=O)(C[C@H](Br)c1ccccc1)c1ccccc1 3181997 SGERLRDULGCSFU-AWEZNQCLSA-N 325.227 3.597 50 40 EHGB CC(=O)N[C@@H](C(C)(C)C)P(=O)(c1ccccc1)c1ccccc1 3189534 QIYHAGCVVLIXSX-GOSISDBHSA-N 329.380 3.509 50 40 EHGB Cc1cccc(COc2ccc(Cl)cc2/C=C(\C#N)C(N)=O)c1 408873455 UHRLDDHYUWEJDT-OVCLIPMQSA-N 326.783 3.620 50 40 EHGB COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1 4615671 AAPCMNXSLGSBIE-MHWRWJLKSA-N 336.391 3.866 50 40 EHGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408805449 KBTQVFAHWAERFJ-LQELWAHVSA-N 339.351 3.676 50 40 EHGB CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1OC 408803992 BOXMURRVVBGJJP-FOWTUZBSSA-N 336.391 3.948 50 40 EHGB Cc1ccc(C)c(CC(=O)N/N=C/c2c(C)n(C)c3ccccc23)c1 409366541 VUTFENRJYKFNOU-LPYMAVHISA-N 333.435 3.796 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1OC 409053025 WEVJJKWHIKGODA-RGVLZGJSSA-N 346.814 3.820 50 40 EHGB N#C/C(=C/c1ccc(-c2ccccc2C#N)o1)C(=O)NC1CCCC1 409192914 FZONVKXWCWZFIX-PTNGSMBKSA-N 331.375 3.784 50 40 EHGB Cc1cc(C)c(C)c(-c2nnc(NC(=O)NCCCl)s2)c1C 35682813 MACKSPAEQMEKRZ-UHFFFAOYSA-N 338.864 3.799 50 40 EHGB Cc1cccc(C)c1N[C@@H](C)C(=O)N/N=C/c1c[nH]c2ccccc12 3073644 WFDIHXSEPFIFFS-OOXYOOLHSA-N 334.423 3.735 50 40 EHGB O=P(C(=S)NC1CCCC1)(c1ccccc1)c1ccccc1 159199 BHTSPYDUUNNHMU-UHFFFAOYSA-N 329.405 3.818 50 40 EHGB C#CCOc1ccc(OC)cc1/C=C(/C#N)Cn1cnc2ccccc21 408691851 UJRQWBHZSXLQIU-WJDWOHSUSA-N 343.386 3.664 50 40 EHGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1O 4503316 ANFCRMJZZLDPTB-FYJGNVAPSA-N 334.375 3.708 50 40 EHGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(N(C)C)o1 408988551 RGBZBKOSCNYPFM-XFXZXTDPSA-N 329.787 3.853 50 40 EHGB N#C/C(=C/c1cccc(Br)c1)C(=O)Nc1ccccc1 40889191 CDQSKHMWESSQOB-LCYFTJDESA-N 327.181 3.995 50 40 EHGB O=C(CCl)N(Cc1ccccn1)c1cccc(C(F)(F)F)c1 199755340 MOIZGDJBBKLCCX-UHFFFAOYSA-N 328.721 3.872 50 40 EHGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(SC)cc2)cc1 193794280 MIPZBLJCSLDWDK-WJDWOHSUSA-N 338.432 3.640 50 40 EHGB CC(C)(C)OC(=O)NCCCCCCCI 714054177 OGOPOEUNCUNTKH-UHFFFAOYSA-N 341.233 3.897 50 40 EHGB in-vitro COc1ccc(C2=C/C(=C3\C(=O)C=C(C)OC3=O)SS2)cc1 1566384 ZIHOMAITHOBYNI-PFONDFGASA-N 332.402 3.715 50 40 EHGB O=C(NN=C(c1ccccc1)c1ccccc1)[C@H]1Cc2ccccc2O1 29471931 DXJQCFUBMQRARQ-HXUWFJFHSA-N 342.398 3.559 50 40 EHGB COc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc(C)cc1 4739471 CKJWNGAZVFIYEP-YDZHTSKRSA-N 347.418 3.719 50 40 EHGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)c1 408742127 PNQOHFKMWHVGLT-FOWTUZBSSA-N 335.407 3.697 50 40 EHGB O=C1OC(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@H]2C1=C(c1ccccc1)c1ccccc1 226346293 GFTXOYOWCPVIJK-OBMJPTGESA-N 328.367 3.620 50 40 EHGB CC(/C=C/c1ccccc1)=N\NC(=O)COc1cccc(Cl)c1 5288447 MGONLNBXQBIDHI-KCIHDACCSA-N 328.799 3.924 50 40 EHGB CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccsc1 217648 ZVHVRDUIQSZCDX-HNNXBMFYSA-N 335.388 3.581 50 40 EHGB Cc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1 493276 PUZKTLNSTUPTJM-UHFFFAOYSA-N 344.823 3.938 50 40 EHGB CCOc1cc(/C=C(\C#N)C(N)=O)ccc1Cc1cc(C)cc(C)c1 408870550 SYAUVFAFMCRPAQ-VXLYETTFSA-N 334.419 3.685 50 40 EHGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(C)C)cc1 408864556 XHJAMDBVZCGYER-CIAFOILYSA-N 340.423 3.559 50 40 EHGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(Br)cc1 225492 OHEOKZNCXBDYNE-QUYNDJIQSA-N 335.245 3.726 50 40 EHGB CC(=O)N/N=C/c1c(Br)c(C)n(-c2cccc(C)c2)c1C 1098377 YGLUMEWHCKPMDD-GIJQJNRQSA-N 348.244 3.635 50 40 EHGB O=C(N/N=C/c1cccs1)c1cc2cc([N+](=O)[O-])ccc2s1 6226215 XOFIAPMOJQEBIG-OVCLIPMQSA-N 331.378 3.635 50 40 EHGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/C1CCCCC1 5119648 VFTPFOHIKZVFII-UFFVCSGVSA-N 327.350 3.800 50 40 EHGB COc1ccc2nc(NC(=O)/C(C#N)=C\c3cccs3)sc2c1 4459930 YIPDMDQNJLGZLY-YFHOEESVSA-N 341.417 3.912 50 40 EHGB C[C@@H]1CCCC/C1=N\NC(=O)CNc1cccc(Br)c1 5275495 MMVYBCMNFNAPPS-VVLNONDKSA-N 338.249 3.543 50 40 EHGB C/C(Cc1ccccc1)=N/NC(=O)c1cccc(Br)c1 17067944 SDIQCLFOFBEOIJ-PDGQHHTCSA-N 331.213 3.798 50 40 EHGB Cc1ccc(NC(=O)/C(C#N)=C2\C(=O)Nc3ccc(Cl)cc32)cc1 39556016 HXYATYHUUALYCZ-PEZBUJJGSA-N 337.766 3.516 50 40 EHGB N#C/C(=C\c1ccc(OCC(=O)O)cc1)c1ccc2ccccc2n1 53108056 YTXPOSUBOCOLNY-LFIBNONCSA-N 330.343 3.762 50 40 EHGB NC(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 58822592 SXWSKUABBQPXFC-UFWORHAWSA-N 338.194 3.575 50 40 EHGB O=C(N/N=C/c1ccco1)c1ccc2c(c1)CN(c1ccc(F)cc1)C2 408729442 ZVOHIIQVRUFUGL-SSDVNMTOSA-N 349.365 3.703 50 40 EHGB CC(C)C/C(=N\NC(=O)c1ccccc1)C1=C(O)c2ccccc2C1=O 26779717 MNSJZUANJNRVBI-OQKWZONESA-N 348.402 3.984 50 40 EHGB Cc1ccc(C(=O)N/N=C/c2ccc(C)c(C)c2C)cc1[N+](=O)[O-] 408857527 KHSKUQCMZJHZQH-VXLYETTFSA-N 325.368 3.592 50 40 EHGB O=C(C(Cl)Cl)N(O)c1ccccc1OCc1ccccc1 1726684 DTRKNNWKWLTQLE-UHFFFAOYSA-N 326.179 3.792 50 40 EHGB CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccsc1 217651 ZVHVRDUIQSZCDX-OAHLLOKOSA-N 335.388 3.581 50 40 EHGB Cl[C@H]1OC(Cl)(Cl)C(Cl)(Cl)OC1(Cl)Cl 100368578 QESFVSBDBUGOEW-SFOWXEAESA-N 329.221 3.992 50 40 EHGB C/C(=N/NC(=O)Cc1ccc(C)cc1)c1ccc(Br)cc1 5968255 NSQNZYWTPFZAKM-UYRXBGFRSA-N 345.240 3.840 50 40 EHGB COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1C 33862188 SSNBNOJCIOOVDI-LPYMAVHISA-N 348.402 3.929 50 40 EHGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)c(Cl)c2)cc1 72042025 DWRLGDBUVMIAJD-LCYFTJDESA-N 342.782 3.990 50 40 EHGB COc1cccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1 59718 VQWVHUZATWTBPE-VCHYOVAHSA-N 334.828 3.591 50 40 EHGB C/C(=N\NC(=O)[C@H](C)Sc1ccccc1)c1ccc([N+](=O)[O-])cc1 313929 FJULINUQVYPAJA-HTMJNSLASA-N 343.408 3.616 50 40 EHGB CCCOc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1 8181967 QZUJZPANFWQSSB-UDWIEESQSA-N 346.814 3.658 50 40 EHGB CCCCCCCCOC(=O)CSC1=C(C#N)C=NC2=CCCN21 100721191 JBFBWJXEIMFQCF-UHFFFAOYSA-N 347.484 3.990 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc1OC 16441481 ZMIJEPCSABUJQJ-NTEUORMPSA-N 332.359 3.975 50 40 EHGB C[C@@H](Cl)CN(C[C@@H](C)Cl)C(=O)Oc1ccccc1[N+](=O)[O-] 1763341 VKOHLMWYXVHOBR-NXEZZACHSA-N 335.187 3.650 50 40 EHGB O=S(=O)(N[C@H]1CCCC[C@@H]1Cl)c1ccc(Cl)cc1Cl 8377190 ADCGQSSWGFRYNE-ONGXEEELSA-N 342.675 3.822 50 40 EHGB O=C(N/N=C/c1ccc(OC2CSC2)cc1)c1ccccc1Cl 59401620 RXWCTDJSEFKLBU-DJKKODMXSA-N 346.839 3.598 50 40 EHGB Cc1ccc(NCC(=O)N/N=C\c2c(C)n(C)c3ccccc23)cc1C 408820020 SOPZYNZTTRGBHA-FMCGGJTJSA-N 348.450 3.666 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1 408971926 MASBRKYROVWDAF-UDWIEESQSA-N 338.363 3.604 50 40 EHGB Cc1cn2c(/C=C(\C#N)C(=O)c3ccc(F)cc3)c(C)nc2s1 73116299 WBLLNGJHVRBVPJ-NTUHNPAUSA-N 325.368 3.942 50 40 EHGB COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 408963721 OSEYDIBYQBKURG-UFFVCSGVSA-N 336.313 3.786 50 40 EHGB Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(C)c1O 6281076 FJVBUSLEFFYJNX-LPYMAVHISA-N 332.403 3.855 50 40 EHGB COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1O 184448 UOMYUIVWFJEXAV-LJQANCHMSA-N 344.370 3.772 50 40 EHGB CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)c1cccnc1 10039093 PXYZCMVKPICFPZ-LPYMAVHISA-N 333.391 3.786 50 40 EHGB N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1ccc(Cl)cc1)Nc1ccccc12 494926 RCTUWGWKFCVBCV-QGZVFWFLSA-N 345.793 3.798 50 40 EHGB C/C(=N\NC(=O)c1ccc2ccccc2c1O)c1ccc([N+](=O)[O-])cc1 17072512 JCFFZGVTSJPSJZ-UDWIEESQSA-N 349.346 3.608 50 40 EHGB Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 4592494 IOAOLRBLVMCKQI-MRXNPFEDSA-N 346.365 3.742 50 40 EHGB Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1C 18199505 CAEOQXNMEAYKIU-KRWDZBQOSA-N 344.370 3.628 50 40 EHGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2O)cc1 408769465 VPDCUFQFJONWQK-SSZFMOIBSA-N 335.407 3.784 50 40 EHGB CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccccn2)c1C 408968351 VUMSQHFZVZHNFX-OEAKJJBVSA-N 346.434 3.815 50 40 EHGB CN(C)c1ccc(/C=N/NC(=O)/C=C/c2ccc(Cl)cc2)cc1 409056314 CNSAWZNLUXWSQM-BDPZUMOYSA-N 327.815 3.570 50 40 EHGB N#C/C(=C\c1ccc(Br)s1)C(=O)Nc1ccc(O)cc1 408792123 IFALSNDLOTYBRJ-VQHVLOKHSA-N 349.209 3.762 50 40 EHGB CC(/C=N/NC(=O)CSc1nc2ccccc2o1)=C\c1ccco1 13553097 QBUWAEVEOVPIMV-QLEPDINUSA-N 341.392 3.718 50 40 EHGB CN1CC[C@]2(C)C[C@@](Br)(Cc3ccccc32)[C@H]1Cl 1581104 GMHKBKZJSRXHRB-ZNMIVQPWSA-N 328.681 3.925 50 40 EHGB CNC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C 573832 GKRXITJYIZMFFC-RIYZIHGNSA-N 347.340 3.766 50 40 EHGB CCOc1ccc(CC(=O)N/N=C/c2cccc3ccccc23)cc1 9879444 PMNLCLCMKVOLTB-PXLXIMEGSA-N 332.403 3.931 50 40 EHGB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CCl 3249873 LTXQOUSIXFNKLV-UHFFFAOYSA-N 327.789 3.671 50 40 EHGB O=C(CSc1ccccc1)N/N=C/c1ccccc1Br 6241581 RHIOUHDOHFBYSW-LICLKQGHSA-N 349.253 3.692 50 40 EHGB COc1ccc(Cl)cc1/C=C/C=N/NC(=O)c1cccc(C)c1O 1711708 SUGXKZVTAOBFRX-PHNSAVJNSA-N 344.798 3.792 50 40 EHGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)c(O)c1 408592450 YFWZDLHMZGQRCZ-VXLYETTFSA-N 332.787 3.597 50 40 EHGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3)o2)cc1C(=O)O 408849407 WNURWJZPZVEBNW-CIAFOILYSA-N 348.358 3.717 50 40 EHGB CCOc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1 343143 FDEHBLCASDSPBM-YBFXNURJSA-N 348.855 3.981 50 40 EHGB O=C(N/N=C/c1cccc(Br)c1)c1ccc(Cl)cc1 5427935 RQUXMJDPLOWZFR-RQZCQDPDSA-N 337.604 3.866 50 40 EHGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 1754111 KABIKLUDFMCTNI-CAOOACKPSA-N 338.150 3.666 50 40 EHGB Cc1ccc(OCC(=O)NN=C2c3ccccc3-c3ccccc32)cc1 376711 UDVCFCBYJDMGSY-UHFFFAOYSA-N 342.398 3.923 50 40 EHGB aggregator O=C(N/N=C/c1ccc(O)c(O)c1)c1sc2ccccc2c1Cl 477976 GJNCTFZXTUJPCT-QGMBQPNBSA-N 346.795 3.730 50 40 EHGB N#C/C(=C\c1ccccc1OC(F)F)C(=O)NCCc1ccccc1 3276557 RZRRXRQLQNDJOO-FOWTUZBSSA-N 342.345 3.554 50 40 EHGB CCCOc1ccccc1/C=N/NC(=O)COc1c(C)cccc1C 408914599 OIGRLJXZDGZPFP-FYJGNVAPSA-N 340.423 3.621 50 40 EHGB C[C@]1(c2ccccc2)C[C@@H]1C(=O)N/N=C/c1c(O)ccc2ccccc12 5005778 QVVOECLIGBHMMW-TZWBQFSNSA-N 344.414 3.973 50 40 EHGB CC(C)[C@@H](Br)C(=O)Nc1nnc(-c2ccccc2)s1 4070331 UEVDGPDPIWBDEX-SNVBAGLBSA-N 340.246 3.563 50 40 EHGB O=C(CCn1cnc2ccccc21)N/N=C\c1cccc2ccccc12 30742941 KSVXGBPLFNVYIW-UCQKPKSFSA-N 342.402 3.730 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1 253968 WGPUFHQPLQAPHN-WOJGMQOQSA-N 347.212 3.612 50 40 EHGB CC[C@@H]1CCc2sc(C(=O)N/N=C/c3csc(C)n3)cc2C1 8525834 YHBUMURMWYPUQS-SXGUVYOMSA-N 333.482 3.792 50 40 EHGB Cc1cc(OCC(=O)N/N=C/[C@H](C)c2ccccc2)ccc1Cl 8183385 AXAWUAFAGSGSRL-HXJASHHUSA-N 330.815 3.933 50 40 EHGB O=C1OC(=O)c2ccccc2/C1=C\Nc1ccc(Br)cc1 101075688 GWNUCXLXOZELNP-NTEUORMPSA-N 344.164 3.599 50 40 EHGB COc1ccc([C@@H](CNC(=O)CCl)c2c[nH]c3ccccc23)cc1 8183724 MSZWASJIPMGWPH-MRXNPFEDSA-N 342.826 3.663 50 40 EHGB CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1 4451033 LRLGWJMPJIVGBJ-KRWDZBQOSA-N 325.799 3.624 50 40 EHGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(C(C)(C)C)cc1 15354275 YJLHIBMICMJHOT-FYJGNVAPSA-N 338.407 3.867 50 40 EHGB CN1C(N)=C(C#N)[C@H](c2ccc(Cl)cc2Cl)C2=C1CCCC2=O 409136130 SNHZUFPVWCGNKQ-HNNXBMFYSA-N 348.233 3.723 50 40 EHGB COc1cc(C=C(C#N)C#N)c([N+](=O)[O-])cc1OCc1ccccc1 324308 UGORTVUFPMOOEH-UHFFFAOYSA-N 335.319 3.613 50 40 EHGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1O 13842662 LNJXNWGHWALDMA-VXLYETTFSA-N 332.787 3.517 50 40 EHGB COc1ccc(CN(C(=O)CCl)[C@H](C)Cc2cccs2)cc1 8428161 WAUIOTOQYQHPMF-CYBMUJFWSA-N 337.872 3.955 50 40 EHGB COc1cc(/C=C(\C#N)c2ccccn2)cc(Br)c1OC 5691486 NXQKCHHAKAWSCC-KPKJPENVSA-N 345.196 3.925 50 40 EHGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(Br)o1 408805740 LDTJAVVHVXUEEM-AMUUTIQOSA-N 337.217 3.644 50 40 EHGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 33303903 MRSUCWOKIVTVLP-XFFZJAGNSA-N 346.726 3.978 50 40 EHGB Cc1c(C(=O)NN)c2ccccc2n1Cc1ccc(Cl)cc1Cl 216948002 IUKBPRAYZPDOML-UHFFFAOYSA-N 348.233 3.908 50 40 EHGB CC(=O)Nc1ccc(-c2csc(NC(=O)CCCCl)n2)cc1 44868075 RTRNCIZCYBSXRH-UHFFFAOYSA-N 337.832 3.726 50 40 EHGB O=C(CBr)c1ccc(Cl)c(Br)c1F 306250914 QBLOIBPNZOIBCN-UHFFFAOYSA-N 330.378 3.819 50 40 EHGB C[C@H]1CN(c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)C[C@@H](C)O1 17247387 GBWJTTGKDHSPMT-VFZVMDJNSA-N 348.406 3.834 50 40 EHGB CC1(C)[C@H](CBr)CC[C@]1(C)C(=O)NNc1ccccc1 3845906 CXYGIFJYNOBCOE-BLLLJJGKSA-N 339.277 3.967 50 40 EHGB biogenic Cn1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c2ccccc21 408676530 KECWGTMILGMJHW-HYARGMPZSA-N 346.434 3.542 50 40 EHGB CCCCCOc1ccccc1/C=N/NC(=O)c1ccc(C#N)cc1 408737082 HWUYMAQIFKRTIZ-PXLXIMEGSA-N 335.407 3.891 50 40 EHGB CC(=O)N(N=O)c1c(Br)cc(C)cc1Br 4975076 DUGSTMKYHZESHE-UHFFFAOYSA-N 335.983 3.554 50 40 EHGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)o1 59425755 JKAHEQDJGFTMBP-VCHYOVAHSA-N 339.307 3.520 50 40 EHGB O=C(CNc1cccc2ccccc12)N/N=C/c1c[nH]c2ccccc12 59720752 YJJCDHTZODWXIJ-ZMOGYAJESA-N 342.402 3.883 50 40 EHGB Cc1cc(/C=N/NC(=O)C23CC4CC(CC(C4)C2)C3)cc(C)c1O 57623227 PIJAHPWYNFQQSQ-SRZZPIQSSA-N 326.440 3.676 50 40 EHGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1 65999262 QKLAPCWXQJANCU-VKAVYKQESA-N 346.386 3.643 50 40 EHGB O=C(Cc1nc(-c2ccccc2)cs1)N/N=C1/CCc2ccccc21 38326812 UBSIUARIZLMKPR-XLNRJJMWSA-N 347.443 3.819 50 40 EHGB O=C(N/N=C/c1ccc(Br)cc1)[C@H]1C[C@H]1c1ccccc1 4578194 QJJWMBOQPFQCPQ-DDMUGZQBSA-N 343.224 3.703 50 40 EHGB N#C/C(=C/c1ccc(O)c(Br)c1)C(=O)Nc1ccccc1 43079252 KGJSSMPKTLUNQY-WQLSENKSSA-N 343.180 3.700 50 40 EHGB C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(Br)cc1 4414582 OHEOKZNCXBDYNE-GHYFRNLBSA-N 335.245 3.726 50 40 EHGB CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccccn3)ccc21 232305 ODTDVGODSNKOLF-OEAKJJBVSA-N 342.402 3.973 50 40 EHGB COc1ccc(/C(C)=N/NC(=O)CCSc2ccccc2)cc1 59473120 ZCGOAFODCSVWHQ-XMHGGMMESA-N 328.437 3.718 50 40 EHGB CCN(C(C)=O)c1nc(/C=C(\C#N)C(=O)c2sccc2C)cs1 44028355 WICXSNZLCVGGLD-KPKJPENVSA-N 345.449 3.676 50 40 EHGB NNC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)nc2ccccc12 216941990 KDPXHILNFPCPPO-UHFFFAOYSA-N 339.398 3.757 50 40 EHGB O=C(N/N=C\c1ccccc1)[C@@H](Oc1ccccc1)c1ccccc1 31670134 MHHWUHZTOXRQSE-RAGBYUADSA-N 330.387 3.957 50 40 EHGB N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1F 255756235 OWXWOAASBIJXQM-XFFZJAGNSA-N 345.717 3.933 50 40 EHGB CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1OC 7158011 HNUNXPRXXQGFHE-DYNVFCCOSA-N 342.439 3.696 50 40 EHGB Cc1cc(C)nc(NNC(=O)c2ccc(Oc3ccccc3)cc2)n1 14511790 XRQWLPOEQIAVJW-UHFFFAOYSA-N 334.379 3.643 50 40 EHGB C/C(=N\NC(=O)CN(C)c1ccccc1)c1cccc2ccccc12 4534520 OAAMAKSIFDQDLY-CJLVFECKSA-N 331.419 3.816 50 40 EHGB COc1cc(/C=C(/C#N)c2ccccn2)cc(Br)c1O 89424070 TXIWYRNROHWKHD-WDZFZDKYSA-N 331.169 3.622 50 40 EHGB O=C1[C@H](Cl)N(c2ccccc2[N+](=O)[O-])[C@H]1c1c[nH]c2ccccc12 5594162 FOGCFESHGCMFAM-DOTOQJQBSA-N 341.754 3.771 50 40 EHGB Cc1cc(C=O)c(C)n1-c1cc(Cl)ccc1OC(=O)CCl 8702880 ZXMVOTPCAGHYNB-UHFFFAOYSA-N 326.179 3.704 50 40 EHGB CCOC(=O)Cc1c[nH]c2ccc(N(CCCl)CCCl)cc12 1705387 YQIBBQQNYOSHBS-UHFFFAOYSA-N 343.254 3.558 50 40 EHGB N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)NCc1ccccn1 6644605 VEXMZIOJUZLTTL-DHZHZOJOSA-N 332.190 3.612 50 40 EHGB Cc1ccc(NCC(=O)N/N=C2/CCSc3ccc(F)cc32)cc1 34879029 DQECRWRPTWKLOZ-PGMHBOJBSA-N 343.427 3.562 50 40 EHGB CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1O 223164478 YBWCQKZIDFOXII-RAXLEYEMSA-N 342.782 3.990 50 40 EHGB CCOc1cccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1O 43366 CNEVNEOYZZDGFG-FYJGNVAPSA-N 340.423 3.852 50 40 EHGB CCN(CC)C(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 344954 MQQOHLPADJJHQD-SDNWHVSQSA-N 339.351 3.630 50 40 EHGB CCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccccc3)o2)C1=O 356566 FYYDTIGIZYDHCQ-SFQUDFHCSA-N 346.386 3.949 50 40 EHGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C[C@@H]2C=CC[C@H]12 4155794 HRBVLWOKJJRCCI-XRAHNDBZSA-N 339.222 3.829 50 40 EHGB O=C(CCl)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12 85221655 AUFKEUKWVZCLQD-UHFFFAOYSA-N 327.767 3.529 50 40 EHGB C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(Br)cc1 100172179 OHEOKZNCXBDYNE-KKDNGISXSA-N 335.245 3.726 50 40 EHGB N#Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3F)o2)cc1 409018634 NNVSPKDMZVEMFG-WSDLNYQXSA-N 333.322 3.721 50 40 EHGB N#CC(C(=O)COc1ccc(Cl)cc1)=C1Nc2ccccc2N1 1296578 NOLAORBYWPIOPT-UHFFFAOYSA-N 325.755 3.561 50 40 EHGB C/C(=N\NC(=O)c1cccnc1)c1ccc(N2CCCCCC2)cc1 5930860 YKDHJRUGOURTCB-CJLVFECKSA-N 336.439 3.616 50 40 EHGB COc1cc(/C=C(/C#N)C(=O)c2ccsc2)cc(OC)c1OC 12368995 NBRZZWSUCHUBFX-MLPAPPSSSA-N 329.377 3.564 50 40 EHGB CCOc1ccc(C(=O)N/N=C/c2cn(CC)c3ccccc23)cc1 20764120 ZKDQHADRCLHHNR-FYJGNVAPSA-N 335.407 3.824 50 40 EHGB Cc1cccc(NCC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)c1 33303215 IBZXXNOPHKPDMX-UKWGHVSLSA-N 336.222 3.864 50 40 EHGB CCOc1cc(/C=N/NC(C)=O)cc(Cl)c1OCc1ccccc1 58822649 VXCPRGSUGHCVQW-RGVLZGJSSA-N 346.814 3.788 50 40 EHGB COc1cccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c1 58916047 XSOQXNLEMAMELI-XDHOZWIPSA-N 348.855 3.981 50 40 EHGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccn(-c3ccccc3)n2)cc1 95452291 SWEVDMKYDTWSGC-SAPNQHFASA-N 342.402 3.980 50 40 EHGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)c3ccccn3)cc21 208455619 PLMVETGLCUTCQP-YDZHTSKRSA-N 348.450 3.786 50 40 EHGB Cc1ccc(-n2cccc2/C=N\NC(=O)Cc2ccc(F)cc2)cc1C 409245908 ASJWGPUMWILPOR-UCQKPKSFSA-N 349.409 3.926 50 40 EHGB O=C(NN=C1CCCCCCCCCCC1)C(=O)NC1CCCC1 59434292 BYXXKRLJRUOSRQ-UHFFFAOYSA-N 335.492 3.822 50 40 EHGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cc1c[nH]c2ccccc12 7986026 NYXPEWJSMAHBTQ-WSDLNYQXSA-N 330.391 3.650 50 40 EHGB CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1 408819194 YNFHTYRFNYMVHJ-LFIBNONCSA-N 336.391 3.948 50 40 EHGB O=C(NNC(=O)c1[nH]c2ccccc2c1Cl)c1cccc(Cl)c1 40143815 ODFNZRDSZJGAQI-UHFFFAOYSA-N 348.189 3.550 50 40 EHGB O=C/C(=C\Nc1ccc(Br)cn1)c1nc2ccccc2o1 13236454 QULFWXUYZUEYFV-JXMROGBWSA-N 344.168 3.637 50 40 EHGB CCOP(=O)(OCC)/C(C#N)=C/c1cc(OC)ccc1OC 1634984 GDSIIGNRQHKXOD-GXDHUFHOSA-N 325.301 3.834 50 40 EHGB COc1ccc(C(=O)NNc2nc3cc(C)cc(C)c3s2)cc1 429772 GOOOAFWJWYVRLM-UHFFFAOYSA-N 327.409 3.679 50 40 EHGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 409116822 MUOZCJPGNFSHKV-FHXOWUIVSA-N 343.408 3.534 50 40 EHGB N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccc(F)cc1)Sc1ccccc12 275211 DIFAFERPPRKVEI-KRWDZBQOSA-N 346.390 3.964 50 40 EHGB N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)NC1CC1 286349 JCFLFHXOCMDKHB-SFQUDFHCSA-N 341.414 3.875 50 40 EHGB Cc1ccc(O)c(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)c1 409393732 ZOSKPLCNAHHQLH-HAHDFKILSA-N 344.414 3.983 50 40 EHGB Cc1ccc(C)c(OCC(=O)N/N=C\C2=CC[C@H]3C[C@H]2C3(C)C)c1 585139652 JRHHNXRSYVBZFO-OXUKKPJISA-N 326.440 3.777 50 40 EHGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2Cl)cc1 7068679 ZLJVDMNHYWASQB-GDNBJRDFSA-N 326.783 3.572 50 40 EHGB CN(C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1 59333538 OHVAQZZCWBFESY-FMIVXFBMSA-N 345.196 3.704 50 40 EHGB CC1=C(Cl)C(=O)[C@](C)(Cl)[C@@H](Cl)/C1=N\C(=O)c1ccccc1 26787134 LGPFYERHZXIYAG-NPFDAYJDSA-N 344.625 3.968 50 40 EHGB Cc1ccc(-n2cccc2/C=N/NC(=O)c2ccc(C#N)cc2F)cc1 408968164 UNGQQCRZGVTAKD-YDZHTSKRSA-N 346.365 3.560 50 40 EHGB O=C(N/N=C\c1cccc(O)c1)C(c1ccccc1)c1ccccc1 33329783 WXJAVGYHBMQSDE-JCMHNJIXSA-N 330.387 3.674 50 40 EHGB CC(C)(C)OC(=O)N1CCC(=O)C[C@H]1CO[Si](C)(C)C(C)(C)C 203639608 HDJGUCSZJYEJMC-ZDUSSCGKSA-N 343.540 3.977 50 40 EHGB O=C(N/N=C/c1ccccc1C(F)(F)F)[C@@H]1C[C@@H]1c1ccccc1 5684926 ZLDCONNKMLEYNF-NSMLUJKXSA-N 332.325 3.959 50 40 EHGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccnc3)c2C)c1C 409007654 QAVLUHHFQRLJTA-YDZHTSKRSA-N 346.434 3.870 50 40 EHGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(-c2ccc(F)cc2)o1 409239537 HBOWJYKJJSEJEO-UUYOSTAYSA-N 340.329 3.918 50 40 EHGB COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)c1sccc1C 44028419 KNRAEKRDGXQRSA-NTUHNPAUSA-N 343.404 3.872 50 40 EHGB CCCCCC(/C=N/NC(=O)c1ccc[n+](C)c1)=C\c1ccccc1 17045222 RBLBPBWLECHEIL-REQTXOKCSA-O 336.459 3.891 50 40 EHGB N#C/C(=C\c1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 108236252 LTGAEZULMAZSKY-XYOKQWHBSA-N 327.727 3.794 50 40 EHGB Cc1ccc2nc(C)c(C(=O)N/N=C\c3c(F)cccc3Cl)n2c1 59444810 YKPDGQSILVYLRQ-ZBKNUEDVSA-N 344.777 3.508 50 40 EHGB COc1ccc(CC(=O)N/N=C(/C)C23CC4CC(CC(C4)C2)C3)cc1 4646700 CSWHPRGFXZRTFC-HMAPJEAMSA-N 340.467 3.946 50 40 EHGB N#C/C(=C/c1ccco1)S(=O)(=O)c1cc(Cl)ccc1Cl 96663538 VBVYPQRXARZPCT-XFFZJAGNSA-N 328.176 3.925 50 40 EHGB N#C/C(=C\c1c(C2CC2)nc2sccn12)C(=O)NC1CCCCC1 84618403 ZCRWFHIFYZTACC-JLHYYAGUSA-N 340.452 3.629 50 40 EHGB COc1cccc(/C=N\NC(=O)Nc2ccc(C)cc2)c1OC(C)C 409010468 FCHXRWIHCVQWON-NDENLUEZSA-N 341.411 3.946 50 40 EHGB COc1ccc(Cl)cc1/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@@H]1C 408818982 WBNIVNJFAJXQOT-HZNNPKNDSA-N 332.831 3.950 50 40 EHGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 409116823 MUOZCJPGNFSHKV-VBEHJTROSA-N 343.408 3.534 50 40 EHGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2ccncc2)cc1Cl 409019606 ZXBAWBNHVAXNDX-DQAKUKQTSA-N 331.803 3.676 50 40 EHGB COC(=O)c1ccc(C(=O)CCCCCBr)c(C)c1 575362456 NLDHEBWXVOFDNO-UHFFFAOYSA-N 327.218 3.920 50 40 EHGB CN(C(=O)CCl)c1ccc(Cl)cc1C(=O)NC1CCCCC1 159761 HSOCXWMYLVGDGW-UHFFFAOYSA-N 343.254 3.604 50 40 EHGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)COc1ccccc1Cl 4696404 ANCBGTIBNBWVPE-KEBDBYFISA-N 341.798 3.659 50 40 EHGB Cc1ccc(SCCOc2ccc(/C=C(\C#N)C(N)=O)cc2)cc1 13943518 ISKBDIAASSSMBG-FOWTUZBSSA-N 338.432 3.558 50 40 EHGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OC 15219380 UGXYWDYCYHWVFX-YBEGLDIGSA-N 336.391 3.866 50 40 EHGB Cc1c(C(=O)N/N=C/c2cccc3ccccc23)cccc1[N+](=O)[O-] 59447424 HOUCOQHSEJLEAY-UDWIEESQSA-N 333.347 3.820 50 40 EHGB c1ccc(P2(c3ccccc3)(c3ccccc3)OC[C@H]3C[C@H]32)cc1 104194404 UJKFVUCNFVDYSE-XMSQKQJNSA-N 332.383 3.850 50 40 EHGB N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)C(=O)NCc1ccccc1 409104656 GOQKPWMVOIVHDI-PDGQHHTCSA-N 349.409 3.649 50 40 EHGB C[C@H](NC(=O)/C(C#N)=C\c1cn(C)c2ccccc12)c1ccccc1 409238819 NXNXKGJIMXQXAV-ZKMNFCBKSA-N 329.403 3.963 50 40 EHGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/C=C/c2ccco2)cc1 4778776 UUQMLLKOVWDLJR-KEUPYQIKSA-N 326.396 3.987 50 40 EHGB CCCc1[nH]nc2c1[C@@H](c1ccc3ccccc3c1)C(C#N)=C(N)O2 5130804 FJHAAVBYMNMYOB-KRWDZBQOSA-N 330.391 3.734 50 40 EHGB Cc1ccc(CC(=O)N/N=C/c2c(C)n(C)c3ccccc23)c(C)c1 20194536 HAHDIUBDWJMZAB-LPYMAVHISA-N 333.435 3.796 50 40 EHGB COc1cc(C)c(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC 33664521 BLYUQGIENFKBRC-YBEGLDIGSA-N 336.391 3.866 50 40 EHGB C/C(=N\NC(=O)CSCc1ccc(C)cc1)c1ccc(F)cc1 58915557 LMWHLMMWAMHQCH-XSFVSMFZSA-N 330.428 3.908 50 40 EHGB CCn1c2ccc(N=C=O)cc2c2c3[nH]c(=O)c4cccn4c3ccc21 1579286 RFZMWCMMOYDRMW-UHFFFAOYSA-N 342.358 3.876 50 40 EHGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2O)cc1Cl 408735925 ZKIOZVUMNHVTRH-WUXMJOGZSA-N 328.755 3.605 50 40 EHGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)cc(Cl)c1O 96714109 YREFNZPSLVYSGI-UWVJOHFNSA-N 341.169 3.531 50 40 EHGB Cc1cc(Br)c2nc(NC(=O)CCl)sc2c1C 20131755 YKWKPNLKMXSIEJ-UHFFFAOYSA-N 333.638 3.853 50 40 EHGB CC(=O)N/N=C/c1cccc(OCCCOc2c(C)cccc2C)c1 4550992 XSKCLMYACVZBCD-KGENOOAVSA-N 340.423 3.621 50 40 EHGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1ccccc1Cl 245241905 SZGKDDFPNZWKOH-LLVKDONJSA-N 337.206 3.911 50 40 EHGB CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)OCC)cc2)o1 500723 YWXUDICLMWSIDS-RVDMUPIBSA-N 339.347 3.593 50 40 EHGB Cc1ccccc1/C=N/NC(=O)COc1cc(C)c(Cl)c(C)c1 504711 JQICQYQTRXTLCK-KEBDBYFISA-N 330.815 3.794 50 40 EHGB CN(C)c1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)o1 2768304 JMUIWFSTDLMWLC-GIJQJNRQSA-N 347.827 3.978 50 40 EHGB Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)NCCc1ccccc1 1456699 YZFFWHIRAZMELD-GHRIWEEISA-N 329.403 3.742 50 40 EHGB CCOC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 5709628 JCLCVSVVJGRNNT-LZYBPNLTSA-N 337.719 3.588 50 40 EHGB CN(C)c1ccc(/C=C/C=N\NC(=O)c2cc3ccccc3o2)cc1 408953511 WNZPQPGIIVSLBT-OEXOGQDCSA-N 333.391 3.928 50 40 EHGB CC(C)Oc1ccc(/C=N/NC(=O)CSc2ccccc2)cc1 408837744 MRVKBUBSWVMWCQ-XDHOZWIPSA-N 328.437 3.716 50 40 EHGB CC/C(C)=N/NC(=O)CSCc1ccccc1Br 408719418 DUEIWCYSXNECRX-XNTDXEJSSA-N 329.263 3.584 50 40 EHGB CCOc1ccc(/C=N/NC(=O)/C=C/c2ccc(Cl)cc2)cc1 409054634 AQOVQERVEIECRC-BDPZUMOYSA-N 328.799 3.902 50 40 EHGB CCOc1ccccc1-c1cc(C(=O)N/N=C(/C)c2ccccc2)[nH]n1 54069 VVPADNARBAUWIM-STZFKDTASA-N 348.406 3.629 50 40 EHGB CCCCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 2484115 FRBOOUSELXIHMB-GOSISDBHSA-N 338.407 3.680 50 40 EHGB N#C/C(=C/c1cccnc1)S(=O)(=O)c1cc(Cl)ccc1Cl 96663535 JFYDCPGKGNOZKH-SDQBBNPISA-N 339.203 3.727 50 40 EHGB CCc1ccccc1NC(=O)C/C(C)=N\NC(=O)c1ccccc1F 105804656 PFXOFWKKRDLAEX-XKZIYDEJSA-N 341.386 3.523 50 40 EHGB Cc1cccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)c1O 23411009 AWYMVWYGJCVCEQ-CIAFOILYSA-N 340.423 3.527 50 40 EHGB CCOC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)CCl 3886811 FVDJSNGVSMSEQX-UHFFFAOYSA-N 341.791 3.908 50 40 EHGB COc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(C#N)cc1F 408966542 MCJHJVDNJKOKAW-FMCGGJTJSA-N 347.349 3.623 50 40 EHGB COC(=O)c1cc(Cl)ccc1C(=O)CCCCBr 575361779 LFLLOYMLINRXHZ-UHFFFAOYSA-N 333.609 3.875 50 40 EHGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccco3)cc2)c1 1424048 VJZFERBYFAAVPR-FYJGNVAPSA-N 347.374 3.604 50 40 EHGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccnc2ccccc12 36201 IFQUAIUKDZLTRR-GOSISDBHSA-N 345.402 3.686 50 40 EHGB N#C/C(=C\c1ccc(Br)cc1)C(=O)NCc1ccccc1 4110150 GIDBUZGWLNIYCF-XNTDXEJSSA-N 341.208 3.672 50 40 EHGB O=C(NNC1=C(C(=O)C(F)(F)F)CCCC1)c1ccccc1Cl 4132952 VLCYSWBJBSQQTM-UHFFFAOYSA-N 346.736 3.534 50 40 EHGB COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1C 408971320 IJZXTWGHVLDXPR-RGVLZGJSSA-N 338.363 3.522 50 40 EHGB CCOc1ccc(/C=N/NC(=O)CNc2ccc3ccccc3c2)cc1 132037 HXDNJZAKPRHGSM-OEAKJJBVSA-N 347.418 3.801 50 40 EHGB COC1=CC(=C(C#N)/C(=N/c2ccccc2)SC)C=C(OC)C1=O 104277415 OBXUWOAVEVYOND-ZZEZOPTASA-N 340.404 3.543 50 40 EHGB Cc1c(/C=C(/C#N)C(=O)N(C)C)c2ccccc2n1Cc1ccccc1 59333856 UKJSWMGTIHLLIM-AQTBWJFISA-N 343.430 3.993 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2cc(Cl)ccc2OC)cc1 4155357 SXCKNEQBRZNNGW-YBFXNURJSA-N 332.787 3.511 50 40 EHGB CC(C)(C)OC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4739446 ZDLHNCPUMRMXKF-LICLKQGHSA-N 331.328 3.713 50 40 EHGB O=C(Cl)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95671170 KLAVPNKIYBZAOK-UWTATZPHSA-N 348.495 3.787 50 40 EHGB in-vitro C=CCn1c(-c2ccccc2)csc1=NNC(=O)c1ccccc1 334156927 HDMYSYOIHHPHGM-UHFFFAOYSA-N 335.432 3.648 50 40 EHGB N#CC1=C(N)Nc2cc(O)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 5338032 GSTPCDJPPJRTFJ-HNNXBMFYSA-N 332.190 3.950 50 40 EHGB CCn1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c2ccccc21 16185119 TXDGEHHRFSRUKW-KAMYIIQDSA-N 331.375 3.912 50 40 EHGB COc1cc(/C=N/NC(=O)CSc2ccccc2C)ccc1C 62281 BZPLSBIDTHNRIY-YBFXNURJSA-N 328.437 3.554 50 40 EHGB CCc1cc(SC#N)cc(C)c1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 8752305 ZCWXJEIYQFMJLJ-GJZGRUSLSA-N 344.436 3.736 50 40 EHGB COc1ccc2nc(/C(C#N)=C\c3cccc(OC)c3OC)[nH]c2c1 409393196 VLVUEURQBOMIGV-LCYFTJDESA-N 335.363 3.653 50 40 EHGB COc1ccccc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1OC 408805431 KAMIBSTZZKDIKG-UKTHLTGXSA-N 342.782 3.903 50 40 EHGB O=C(c1ccc(Cl)cc1)[C@@H](Br)CBr 307078557 MZLOCIUNJZAFEL-QMMMGPOBSA-N 326.415 3.681 50 40 EHGB Cc1cccc(NC(=S)NNC(=O)c2ccc(C(C)(C)C)cc2)c1 4614594 XWNXKSMPHVPLBF-UHFFFAOYSA-N 341.480 3.924 50 40 EHGB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N/N=C\c1ccc(F)cc1 33339519 KBKMPACEUJAAPG-SVKBEJCWSA-N 334.778 3.705 50 40 EHGB COc1cc(/C=C(\C#N)c2nc(-c3ccccc3C)no2)ccc1O 9377820 ZOFGRXDFHPQARS-NTEUORMPSA-N 333.347 3.823 50 40 EHGB CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1cccc(C)c1 408801895 WOBKLDUTBZQRCC-LFIBNONCSA-N 336.391 3.948 50 40 EHGB C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 408940741 UYYTZCIXTDHXPN-GDNBJRDFSA-N 349.346 3.705 50 40 EHGB C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)c1cccc(Cl)c1 14923241 CFNUMUIHFPJZLR-SRZZPIQSSA-N 347.777 3.614 50 40 EHGB CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccc(F)cc1 265012 VWDNJZORXWESDI-KRWDZBQOSA-N 347.349 3.659 50 40 EHGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)C(N)=S 3277578 MLWJQBFNPWNHOJ-XFXZXTDPSA-N 336.445 3.794 50 40 EHGB COc1ccccc1NCC(=O)N/N=C(\C)c1cccc2ccccc12 4867968 MKZJBHFYYXPYPW-HZHRSRAPSA-N 347.418 3.801 50 40 EHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1O 16411195 ZPIWEWPSWYUNJW-MDWZMJQESA-N 342.782 3.990 50 40 EHGB Nc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 432217 FFNKKWDMJOJVHV-SRZZPIQSSA-N 339.782 3.946 50 40 EHGB COc1ccc(/C(C)=N/NC(=O)CSc2ccc(C)cc2)cc1 57663438 MZKIDRKHXYAWDS-XMHGGMMESA-N 328.437 3.636 50 40 EHGB C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1cc(O)ccc1O 101492261 GAROSAFEDUICFV-UDWIEESQSA-N 326.396 3.549 50 40 EHGB N#Cc1cccc(-n2nc(C(F)(F)F)cc2CBr)c1 96029322 XWJOYHFTOTWSHT-UHFFFAOYSA-N 330.107 3.658 50 40 EHGB CO[P@@](=O)(CCl)OCCCCO[P@@](=O)(CCl)OC 104063004 MEOUAEMQHKPNLB-HDICACEKSA-N 343.080 3.871 50 40 EHGB CCOc1c(Cl)cc(/C=N/NC(=O)c2ccccc2C)cc1OC 9201981 RLLWTGQNSSKJDH-RGVLZGJSSA-N 346.814 3.820 50 40 EHGB O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1ccc2ccccc2n1 24035060 UGLQUWFKASCWFI-IYYWNBDZSA-N 346.346 3.572 50 40 EHGB O=C(N/N=C/c1ccco1)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1 9109356 KLJNLMJPQWTOST-QGMBQPNBSA-N 349.177 3.740 50 40 EHGB N#C/C(=C\c1cc(Cl)c(O)c(Cl)c1)C(=O)Nc1ccc(O)cc1 408787758 FUYJTQJZRAAKPP-BJMVGYQFSA-N 349.173 3.950 50 40 EHGB O=C(NN=C(c1ccccc1)c1ccccc1)c1cc(C2CC2)on1 84517757 HGBJRQITANEKMG-UHFFFAOYSA-N 331.375 3.734 50 40 EHGB CCc1ccc(CC(=O)N/N=C/c2cn(CC)c3ccccc23)cc1 409364633 QQBYPECQJBLKSP-HYARGMPZSA-N 333.435 3.916 50 40 EHGB N#CC1=C(S)N(c2ccccc2)[C@@H](c2ccccc2Cl)NC1=O 550834 SCKUHIRIFRLZKJ-HNNXBMFYSA-N 341.823 3.640 50 40 EHGB O=C(N/N=C/c1ccc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 4280965 YZILSZYYFXNYHI-XDHOZWIPSA-N 335.319 3.619 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OC)c1 4603923 XIGLWDVLYQZWMY-MHWRWJLKSA-N 336.391 3.866 50 40 EHGB CCO[C@]1(c2ccccc2)C[C@H]1C(=O)N/N=C/[C@@H](C)c1ccccc1 4844423 UIBFZWQDCJLLTE-NAIYPYBKSA-N 336.435 3.844 50 40 EHGB N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(=O)Nc1ccccc1 6282443 OVTMPMQFKFDHRX-WUXMJOGZSA-N 326.739 3.614 50 40 EHGB CC(C)c1[nH]nc2c1[C@@H](c1cccc3ccccc13)C(C#N)=C(N)O2 8382599 XRSWKGCBKUZOIM-INIZCTEOSA-N 330.391 3.904 50 40 EHGB N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)NCc1cccnc1 26966329 DQKFKLHWGXTFOZ-MHWRWJLKSA-N 347.349 3.704 50 40 EHGB Cc1ccc(NCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1C 59720748 LCHIMGWQZAHCLF-FSJBWODESA-N 347.418 3.724 50 40 EHGB CCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nn1c(C)ccc1C 409369736 FQJWUPLFGJDKQU-DHDCSXOGSA-N 343.814 3.834 50 40 EHGB Cc1ccc(C(=O)N/N=C(\c2ccccc2)c2ccccn2)cc1C 369828 MOTHDKBYQBQOJI-BSYVCWPDSA-N 329.403 3.881 50 40 EHGB CCCCCCCC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 100937116 CGQRWUAOFJCIKR-CPNJWEJPSA-N 336.432 3.523 50 40 EHGB Cc1ccccc1OCC(=O)N/N=C/C=C/c1ccccc1Cl 3141962 RUYGLHKZUDIDRX-XCHVBMRISA-N 328.799 3.843 50 40 EHGB CCCCCCCC(=O)N/N=C/c1cc(Cl)cc(OC)c1O 100969394 OEPBYEWGUDRUCQ-WOJGMQOQSA-N 326.824 3.865 50 40 EHGB O=C(N/N=C/c1ccccc1C(F)(F)F)[C@H]1C[C@H]1c1ccccc1 5684692 ZLDCONNKMLEYNF-FOSRRJHRSA-N 332.325 3.959 50 40 EHGB N#C/C(=C\c1ccc(CSC(F)F)o1)C(=O)Nc1nccs1 7166951 WUUFTMSMKDOIRN-VMPITWQZSA-N 341.364 3.738 50 40 EHGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408804535 YDTDQJMXYRLXCX-LQELWAHVSA-N 339.351 3.676 50 40 EHGB CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C 408806368 ANVCUYIFRKGTCK-QPEQYQDCSA-N 331.778 3.540 50 40 EHGB C/C(=N/NC(=O)[C@H]1COc2ccccc2O1)c1ccc2ccccc2c1 33896419 OROBFNQISHPKIT-IDCRMVTHSA-N 346.386 3.520 50 40 EHGB Cc1cc(/C=N/NC(=O)c2ccccc2F)c(C)n1-c1ccccc1 260795 SQLGIGMJJURDIV-LPYMAVHISA-N 335.382 3.997 50 40 EHGB ClCCN(CCCl)c1ccc(/C=N/N=C/c2ccncc2)cc1 1655984 IDJFBYDCPMBPTE-JFMUQQRKSA-N 349.265 3.819 50 40 EHGB COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c2C)cc1 60389285 OEASUBFFKZENMJ-BOPFTXTBSA-N 337.423 3.534 50 40 EHGB Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1ccc(O)cc1 408992318 AAGFJDVCQPALJM-BKUYFWCQSA-N 333.391 3.564 50 40 EHGB CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 5874714 ZFHNHVCGWXCAAT-GXDHUFHOSA-N 337.335 3.539 50 40 EHGB C/C(=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 5942689 DRGNWMBHHCPBRL-WOJGMQOQSA-N 331.759 3.711 50 40 EHGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(F)c(F)c(F)c1)c1ccccc1 102713807 AKMLZFDOGVCAFI-DKTFCQPKSA-N 330.309 3.888 50 40 EHGB COc1ccc(Cl)cc1/C=N/NC(=O)Cc1ccc(C)cc1C 20194948 TYIKCYSTUYYFPU-RGVLZGJSSA-N 330.815 3.658 50 40 EHGB COc1cccc2cc(C(=O)N/N=C/c3c(C)[nH]c4ccccc34)oc12 408973003 XDYSOKVJAAXLFJ-SRZZPIQSSA-N 347.374 3.995 50 40 EHGB O=C(N/N=C\c1ccc(Br)cc1)c1c[nH]c2ccccc12 33326127 STRAHQJOQVBCOK-OCKHKDLRSA-N 342.196 3.694 50 40 EHGB CCOC(=O)COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 408983764 CKGPNCUFYWQIQR-RVDMUPIBSA-N 347.374 3.569 50 40 EHGB CC(=O)Oc1cccc(/C=N/NC(=O)c2ccc3ccccc3c2)c1 408752552 BPUYKSUZYDZMMN-FYJGNVAPSA-N 332.359 3.529 50 40 EHGB Cc1cc(F)ccc1N1C=C(C#N)S(=O)(=O)c2ccc(F)cc21 44167159 DRWKXHDLBBNLQK-UHFFFAOYSA-N 332.331 3.564 50 40 EHGB O=C(NCc1ccco1)C(=O)NN=C1CCCCCCCCCCC1 5581425 PPWBZRXYDUCYAK-UHFFFAOYSA-N 347.459 3.673 50 40 EHGB CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2nc3ccccc3s2)cc1 5521740 VXQYJQQNDGLXOX-SDNWHVSQSA-N 348.431 3.908 50 40 EHGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OC(F)F 6427476 JQFZPYKTWHDYKK-JLHYYAGUSA-N 344.317 3.842 50 40 EHGB CC(C)(C)OC(=O)N1CCCC(=O)[C@@H]1CO[Si](C)(C)C(C)(C)C 953091136 PDLDRWRLVJTIFZ-ZDUSSCGKSA-N 343.540 3.977 50 40 EHGB Cc1ccc(OCC(=O)N/N=C/c2c(F)cccc2Cl)cc1C 526933 JQXBKOBWMMIWGN-AWQFTUOYSA-N 334.778 3.625 50 40 EHGB C[C@H]1[C@@H](C)[N+]1=P(c1ccccc1)(c1ccccc1)c1ccccc1 104116539 HCQAUQFRBXWIJO-KDURUIRLSA-N 332.407 3.967 50 40 EHGB COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OC(C)C 4544316 MUGBMIKBOBIYEH-UDWIEESQSA-N 326.396 3.555 50 40 EHGB Cc1ccc(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1C 408567981 RETMZJCDTZWRIC-VXLYETTFSA-N 345.786 3.558 50 40 EHGB CCOc1ccccc1N1C=C(C#N)S(=O)(=O)c2c(F)cccc21 38654618 ROPWHFIVCBMPAK-UHFFFAOYSA-N 344.367 3.515 50 40 EHGB O=C(NNc1ccc(Cl)cc1F)c1cc2cc([N+](=O)[O-])ccc2o1 1602858091 LMTPFVORLKMBFM-UHFFFAOYSA-N 349.705 3.890 50 40 EHGB N#C/C(=C/C=C/c1ccco1)C(=O)NCCc1c[nH]c2ccccc12 15225889 JPTICTSSTDWDTK-ACMMYWFXSA-N 331.375 3.583 50 40 EHGB C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)c2ccc(OC)c(OC)c2)C1 33564074 ITXYCTPRNRIRMY-XSOQZJFOSA-N 328.412 3.722 50 40 EHGB N#CC1=C2SCN(C3CCCC3)CN2C(=O)C[C@@H]1c1cccs1 20347982 FIPQGZXPALZUOH-ZDUSSCGKSA-N 345.493 3.706 50 40 EHGB Cc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccn2)c(C)c1C 188557 ATEFFKIABTYMSG-BBJIBYMTSA-N 327.453 3.638 50 40 EHGB C/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(C)o1 348359 NXJIDQGTRZXIRP-HMMYKYKNSA-N 328.412 3.939 50 40 EHGB COc1ccc(CCCC(=O)N/N=C/c2ccccc2Cl)cc1 382308 SCZJVSKJDPPVRI-DEDYPNTBSA-N 330.815 3.822 50 40 EHGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 4545673 IHXGFANIUKFPRF-IFGKONELSA-N 335.791 3.525 50 40 EHGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1 408793008 NCVBADFICSLMGU-QGOAFFKASA-N 330.387 3.861 50 40 EHGB COc1ccc(C(=C(C#N)CCC(=O)O)c2ccc(OC)cc2)cc1 2066 GRVCTHTXJDYIHB-UHFFFAOYSA-N 337.375 3.894 50 40 EHGB in-man CCc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc1 477760 SFZCESBGRIETJR-OAHLLOKOSA-N 348.431 3.919 50 40 EHGB CCCC/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 12403674 JFIZJFLGCPEHMF-KNTRCKAVSA-N 325.368 3.919 50 40 EHGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 20158938 ILWUNQSDMMPUHC-UDWIEESQSA-N 341.411 3.917 50 40 EHGB COc1ccc(Cl)cc1/C=N\NC(=O)c1cc2ccccc2o1 408848822 WBLCWAVDPUCKQR-GRSHGNNSSA-N 328.755 3.859 50 40 EHGB C[C@@H](C(=O)Nc1ccc(SC#N)c([N+](=O)[O-])c1)c1ccccc1 95471091 WIJKWFOTJGLJBM-LLVKDONJSA-N 327.365 3.910 50 40 EHGB CCOc1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1 313783 PEHZLMGJMWKRGU-OOWUWCJESA-N 342.464 3.857 50 40 EHGB N#C/C(=C\C1=Cc2ccccc2OC1)c1nc(O)c2ccccc2n1 5819290 WHAZUQGGVOEBSI-XNTDXEJSSA-N 327.343 3.718 50 40 EHGB Cc1noc2c1[C@H](c1ccccc1)C(C#N)=C(N)[C@@H]2c1cccc(O)c1 125514 WHPMEJQKVSKNFA-MOPGFXCFSA-N 343.386 3.702 50 40 EHGB O=C(c1ccc(F)c(Cl)c1)[C@H](Br)CBr 306719440 KQYQJYKOIXLINZ-ZCFIWIBFSA-N 344.405 3.820 50 40 EHGB COc1cc(C)c(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC 78325973 KFSMULYCUBCSJJ-YBEGLDIGSA-N 336.391 3.866 50 40 EHGB c1ccc(CNCCSSCCNCc2ccccc2)cc1 4065570 SKWRXHRHQALQOK-UHFFFAOYSA-N 332.538 3.947 50 40 EHGB Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 5095232 DMGGDCKJNQRWPH-INIZCTEOSA-N 346.365 3.742 50 40 EHGB C/C(=N\NC(=O)COc1ccccc1-c1ccccc1)c1ccccn1 5164315 VKABLMHTJPKPGN-XQNSMLJCSA-N 345.402 3.668 50 40 EHGB CCOC(=O)N/N=C/c1cccc(NC(=O)c2ccccc2Cl)c1 6674919 VFZHXXNVZSPQBO-YBFXNURJSA-N 345.786 3.672 50 40 EHGB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CCl 60270764 FILFCVOZDJMQEX-ZDUSSCGKSA-N 330.815 3.697 50 40 EHGB O=[N+]([O-])c1ccc(NN=C2c3ccccc3[C@@H]2Cl)c([N+](=O)[O-])c1 245241287 ZVJYYXUDNBIUBA-ZDUSSCGKSA-N 332.703 3.613 50 40 EHGB CC1=C(C=O)C[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CCC1=CC(=O)O[C@H]1O 257499124 NZIQEPLIKSMSRT-FDVFUFCWSA-N 332.440 3.546 50 40 EHGB biogenic,in-vitro FC(F)(F)c1ccc(P(c2ccccc2)c2ccccc2)cn1 1987974905 FBDZMHYPESWNSN-UHFFFAOYSA-N 331.277 3.859 50 40 EHGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2cccs2)sc(C)c1C 567948 XJRKDIJRLQOXNF-YRNVUSSQSA-N 346.433 3.759 50 40 EHGB CCOC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2C#N)cc1 113833742 JVBYOKNXSBUTHK-WQRHYEAKSA-N 332.359 3.607 50 40 EHGB O=C(CSCc1ccccc1Br)NN=C1CCCC1 20248777 SGNUYXQLDPMWOI-UHFFFAOYSA-N 341.274 3.729 50 40 EHGB CC1(CC(=O)N/N=C/c2cccc3ccccc23)SCCS1 409262619 JDCYDXPYPVXUGK-LDADJPATSA-N 330.478 3.876 50 40 EHGB N#CC1=C(SCc2ccccc2F)NC(=O)C[C@H]1c1ccco1 409131088 NATUVVGQURFEEA-GFCCVEGCSA-N 328.368 3.691 50 40 EHGB Cc1ccc(C(=O)[C@H](Br)CBr)c(Cl)c1 307209316 OZFSQNRREXUHNM-MRVPVSSYSA-N 340.442 3.990 50 40 EHGB N#CC1=C(S)N(c2ccccc2)[C@H](c2ccc(Cl)cc2)NC1=O 2670590 RTJMPPUHWNLRIP-OAHLLOKOSA-N 341.823 3.640 50 40 EHGB CCCCCCCCCCCCS(=O)(=O)C[C@H](Cl)CO 100244470 SRUUSNFFRRGYOS-OAHLLOKOSA-N 326.930 3.922 50 40 EHGB Brc1ccc(C(Br)Br)nc1 100254371 OIXZUGUUHPXDNJ-UHFFFAOYSA-N 329.817 3.633 50 40 EHGB N#C/C(=C\c1cnn(-c2ccccc2)n1)c1nc2ccccc2s1 6832955 PFUZRAULDNTADZ-JLHYYAGUSA-N 329.388 3.941 50 40 EHGB C[C@H](C(=O)Nc1ccc(SC#N)c([N+](=O)[O-])c1)c1ccccc1 95471090 WIJKWFOTJGLJBM-NSHDSACASA-N 327.365 3.910 50 40 EHGB C[C@@H](Oc1ccc(/C=N/NC(=O)c2ccncc2)cc1)c1ccccc1 4508467 RZMLUNCFYDVPCD-LGVXEURYSA-N 345.402 3.986 50 40 EHGB CC/C(Cc1ccccc1)=N/NC(=O)[C@H](C)Nc1ccccc1OC 4619286 NYKSTTPHHJWEMC-AKKXKAEUSA-N 339.439 3.621 50 40 EHGB C#CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1 408805465 KHUARURCJWWRHJ-RVDMUPIBSA-N 336.778 3.898 50 40 EHGB N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1ccccc1)Sc1ccccc12 495252 WFRGAJSHSLBCNP-QGZVFWFLSA-N 328.400 3.825 50 40 EHGB biogenic ClC[C@H](Cl)COC[C@@H]1CO[C@H](c2ccc(Cl)cc2)O1 230320878 CKAGUBYMMHRUIZ-XQQFMLRXSA-N 325.619 3.617 50 40 EHGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)o1 6216221 DKFYRWRANYWVCZ-FYJGNVAPSA-N 334.375 3.931 50 40 EHGB CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 5952667 IOGUWRXDHGAKLD-FMIVXFBMSA-N 326.308 3.633 50 40 EHGB COc1ccc(/C(C)=N/NC(=O)c2ccc(Cl)cc2)c(OC)c1 5480071 UUXZAHBYFIFECS-YBFXNURJSA-N 332.787 3.511 50 40 EHGB CCOc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1C(=O)O 35669862 SKODCWXUHSIACN-NTEUORMPSA-N 338.319 3.756 50 40 EHGB N#CC1=C(N2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)CC2=C1CCCCC2 18212486 MJDSUSKSMGMFIX-GJZGRUSLSA-N 342.826 3.946 50 40 EHGB Cc1cc(C)c([C@@H]2[C@H]3CCC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)c1 42533 QWKHHQOBOXPDAH-LPHOPBHVSA-N 328.419 3.815 50 40 EHGB Cc1ccccc1C(=O)NNc1ncnc2sc3c(c12)CCCC3 348644 QSCFODPFRJLRCB-UHFFFAOYSA-N 338.436 3.635 50 40 EHGB Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)OC(C)(C)C 3538342 IKJLEKSPEDBNTN-VXLYETTFSA-N 348.834 3.752 50 40 EHGB Cc1ccccc1NC(=O)C(=O)NN=C1CCC(C(C)(C)C)CC1 58885894 AJELSNHMAAJGJL-UHFFFAOYSA-N 329.444 3.642 50 40 EHGB C[C@H](Br)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 153144 MJOHRGRXTHQLPX-VIFPVBQESA-N 339.164 3.735 50 40 EHGB CC[C@H](C)Oc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 568802 BOECTIOOZOQZLS-LBPRGKRZSA-N 346.814 3.592 50 40 EHGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccs1 3619874 QLTFLYGKCFFNAN-LICLKQGHSA-N 341.348 3.680 50 40 EHGB CCc1ccc(/C(C)=N\NC(=O)COc2cccc(Cl)c2)cc1 4724116 SBTQNJWFYWFTGK-MOSHPQCFSA-N 330.815 3.822 50 40 EHGB Cc1cccc(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 58871441 HCIMODBPUMQJIK-UDWIEESQSA-N 349.346 3.927 50 40 EHGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1O 169885909 OIJOWOAMRKEEAP-GRSHGNNSSA-N 332.787 3.517 50 40 EHGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OCC 255299823 YOYUPQLJSWQIOK-LGMDPLHJSA-N 346.386 3.643 50 40 EHGB N#CCn1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c2ccccc21 408543968 UCJXYGMOWGLMRB-WJDWOHSUSA-N 327.343 3.927 50 40 EHGB CC(C)(C)C1CCC(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 27748 SBCYPHVCNWGZAA-UHFFFAOYSA-N 331.416 3.846 50 40 EHGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(F)c(F)c2)cc1 3232426 XXOFICUCOHXXBL-SSDVNMTOSA-N 346.377 3.791 50 40 EHGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(F)cc2)cc1 178017454 YXDWUCNWDROPIH-BOPFTXTBSA-N 338.382 3.836 50 40 EHGB Cc1ccsc1/C=N\NC(=O)CSc1nc2ccccc2s1 16746092 HUZJHJFRGFSDMG-PXNMLYILSA-N 347.490 3.909 50 40 EHGB Cc1ccc(-n2cccc2/C=N/NC(=O)c2ccncc2)cc1Cl 409014448 PIIHSCHJOBABJG-CIAFOILYSA-N 338.798 3.598 50 40 EHGB COc1cc(/C=C(/C#N)c2ccccc2F)c([N+](=O)[O-])cc1OC 33612385 MBHVQICSVOCUGU-GHXNOFRVSA-N 328.299 3.815 50 40 EHGB CC1(C)[C@@H](CBr)CC[C@]1(C)C(=O)NNc1ccccc1 3845907 CXYGIFJYNOBCOE-MLGOLLRUSA-N 339.277 3.967 50 40 EHGB biogenic Cc1cc(N2CCCC2)ccc1/C=C(/C#N)C(=O)NCc1ccccc1 408962519 YVXDGQFKWZQSNK-ZHZULCJRSA-N 345.446 3.819 50 40 EHGB C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 7159199 GTAYGCBLDGEJQT-NTCAYCPXSA-N 336.778 3.898 50 40 EHGB COc1ccc(C(=O)N/N=C/c2sc3ccccc3c2OC)cc1 266447 HZGBFONQGCOYLK-YBFXNURJSA-N 340.404 3.682 50 40 EHGB N#C/C(=C/c1ccc(N2CCCCCC2)o1)C(=O)NC1CCCC1 409188884 BPJWDOLHFYCMLA-SQFISAMPSA-N 327.428 3.626 50 40 EHGB CC/C(=N\NC(=O)COc1ccc(Cl)cc1C)c1ccccc1O 15938734 AMUSFBXZMNGEIE-HMMYKYKNSA-N 346.814 3.663 50 40 EHGB COc1ccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@H](C)C[C@@H]32)cc1 19853240 HTOYCAGQFXFQLG-AXHNFQJDSA-N 344.418 3.535 50 40 EHGB CCOc1ccc(C(=O)N/N=C/c2cccc(Br)c2)cc1 3162154 YOLQIGXINFFBOU-WOJGMQOQSA-N 347.212 3.612 50 40 EHGB Cc1cc(/C=N/NC(=O)Cc2cccs2)c(C)n1-c1ccccc1 8446694 SEQIPOLPNFAJQD-DEDYPNTBSA-N 337.448 3.848 50 40 EHGB O=C(CCl)OCC#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2577653 BLBIRZVJBVTHFH-UHFFFAOYSA-N 344.638 3.858 50 40 EHGB O=C(N/N=C/c1cccc(O)c1)c1cc(C2CC2)nc2ccccc12 174563 USLFRXQXAQPZJE-CIAFOILYSA-N 331.375 3.582 50 40 EHGB CC(C)(C)C1CCC(=NNC(=O)C(=O)Nc2ccc(Cl)cc2)CC1 59435592 NZGCUWMASNCFDP-UHFFFAOYSA-N 349.862 3.987 50 40 EHGB CCc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1 4592489 WMBPINBFXJWNKR-QGZVFWFLSA-N 342.402 3.857 50 40 EHGB C/C(CCc1ccc2c(c1)OCO2)=N\NC(=O)c1c[nH]c2ccccc12 4863758 IHSRSUCNWYDOCM-LPYMAVHISA-N 349.390 3.635 50 40 EHGB CCOc1cc(C)c(/C=N/NC(=O)c2ccncc2)cc1C(C)C 408846341 JPRWSVCWJYUNTB-CIAFOILYSA-N 325.412 3.676 50 40 EHGB COc1ccc(-c2nc3ccc(NC(=O)CSC#N)cc3o2)cc1 216856929 RJKOJXZEHRQNMT-UHFFFAOYSA-N 339.376 3.656 50 40 EHGB COc1ccc(/C=N/NC(=O)c2ccccc2C)cc1Br 6217939 GDNCMFPAYIIJEZ-VCHYOVAHSA-N 347.212 3.530 50 40 EHGB COc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1 408876165 NFBVMQRHRVDVHA-WUXMJOGZSA-N 328.755 3.600 50 40 EHGB CC(=O)NN(C(=O)c1ccccc1)c1nc2c(C)ccc(C)c2s1 40285592 YTPNEJFUWZXXKP-UHFFFAOYSA-N 339.420 3.611 50 40 EHGB CNC(=O)/C(C#N)=C\c1ccc2c(c1)[C@H](C)CC(C)(C)N2C(C)C 223557729 BWSQRZPLYRZXRA-SLVCOGOPSA-N 325.456 3.840 50 40 EHGB CCC1=C2CCCCC2=C(C#N)C2=S=C(c3ccccc3)C(=O)N21 1554503142 IIGKLZZUBNUZGP-UHFFFAOYSA-N 334.444 3.984 50 40 EHGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OC)c1 141972 WPEBTTMOXQGIEQ-FQEVSTJZSA-N 349.434 3.760 50 40 EHGB C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cccc(Br)c1 100176919 ILBXUJRFLDGOKY-KKDNGISXSA-N 335.245 3.726 50 40 EHGB CCCCOc1ccccc1/C=N/NC(=O)c1ccc(OC)cc1 408887194 MJXWQXJGSCNKBB-XSFVSMFZSA-N 326.396 3.638 50 40 EHGB CCCOc1ccc(/C=N/NC(=O)c2ccc(C)cc2C)c(O)c1 3226677 UQYUOQHFDRXOEZ-UDWIEESQSA-N 326.396 3.562 50 40 EHGB O=C(CC(=O)Nc1ccc(Cl)c(Cl)c1)NN=C1CCCCC1 6505532 AVGHANAPNBJSSF-UHFFFAOYSA-N 342.226 3.758 50 40 EHGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 408788983 GWDWLNXYMBHUBT-UKTHLTGXSA-N 342.782 3.990 50 40 EHGB N#C/C(=C\c1ccc(F)cc1)C(=O)NCCc1cccc(Cl)c1 36396078 SLQPJPPJVMBRGU-XNTDXEJSSA-N 328.774 3.745 50 40 EHGB N#C/C(=C/c1cnc(N2CCCC2)nc1)c1ccc(C(F)(F)F)cn1 48311460 TZYKJIFFTRVJQU-QPEQYQDCSA-N 345.328 3.555 50 40 EHGB CN(C)c1cccc(C(=O)NNC2c3ccccc3-c3ccccc32)c1 15475096 FCHYBXLPDRTQOE-UHFFFAOYSA-N 343.430 3.757 50 40 EHGB CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccccc1 40912153 ZDKGBAKERKKMNO-HYARGMPZSA-N 348.402 3.768 50 40 EHGB Cc1cccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 6206966 GLWJUSSNYLFCJO-VCHYOVAHSA-N 339.376 3.882 50 40 EHGB C/C(=N\NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(O)cc1 5370442 DQLUINWFDATISC-NFECSFHCSA-N 328.437 3.554 50 40 EHGB COc1cccc(C(=O)N/N=C(\C)c2cccc(Br)c2)c1 5381966 GOCAAYZBEPNPBJ-WOJGMQOQSA-N 347.212 3.612 50 40 EHGB Cc1cc(/C=N/NC(=O)c2cc(C)n(-c3ccccc3)c2C)c(C)[nH]1 6980458 HFZIPXNIQKACTA-CIAFOILYSA-N 334.423 3.803 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1O 7159645 IXJOLQDGHHNOQJ-MDWZMJQESA-N 342.782 3.908 50 40 EHGB COc1cc(/C=C(/C#N)c2ccc(C#N)cc2)c([N+](=O)[O-])cc1OC 17070580 LILGWRJUYSTYIO-CHHVJCJISA-N 335.319 3.548 50 40 EHGB N#CCOc1ccccc1/C=C(\C#N)C(=O)c1c[nH]c2cc(F)ccc12 44026995 CIZVFYNBNAPZNL-NTEUORMPSA-N 345.333 3.999 50 40 EHGB O=C(N/N=C/c1cccnc1)c1cccc2cc(-c3ccccc3)[nH]c12 3073665 IAKATZOYSMMHEA-OEAKJJBVSA-N 340.386 3.994 50 40 EHGB Cc1ccc(CNC(=O)NNc2ccc(OC(F)(F)F)cc2)cc1 12919591 ZUAZAODPAUPCNO-UHFFFAOYSA-N 339.317 3.720 50 40 EHGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccncc3)c2C)c1C 409005057 CGWNKJGQGPQCRZ-YDZHTSKRSA-N 346.434 3.870 50 40 EHGB CC[C@@H](C)Oc1ccccc1/C=N/NC(=O)c1ccc(OC)cc1 408604255 UOLVNPZYSRPVST-GNUZOCDUSA-N 326.396 3.636 50 40 EHGB COc1ccc2ccc(OC)c(/C=N\NC(=O)c3ccccc3)c2c1 409005067 CHZZZUHITGZRSM-BKUYFWCQSA-N 334.375 3.621 50 40 EHGB C/C(=N\NC(=O)Nc1ccccc1)c1cccc(Br)c1 8110894 OVUFSQATLQTSIE-WOJGMQOQSA-N 332.201 3.995 50 40 EHGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OC 15219880 BRUVIZUWHFSLTK-WJDWOHSUSA-N 336.391 3.948 50 40 EHGB CC1=CC[C@H](/C(C)=N/NC(=O)c2cccc(N3CCCC3=O)c2)CC1 333812 BSVMMRQBZOAQBN-WASCAKKMSA-N 339.439 3.666 50 40 EHGB N#CC(C(=O)c1cccc(Br)c1)=C1Nc2ccccc2N1 4070515 CORBFYLQGOXTAP-UHFFFAOYSA-N 340.180 3.905 50 40 EHGB N#CC1=C(N)Nc2cc(O)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 5338031 GSTPCDJPPJRTFJ-OAHLLOKOSA-N 332.190 3.950 50 40 EHGB C[C@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)o1 8117560 QBPSNAIFROBBJO-XLEIOVFWSA-N 336.347 3.647 50 40 EHGB C/C(=N\NC(=O)c1ccc(Br)cc1)c1oc(C)cc1C 48508619 PHOWCCCILLFJIT-GZTJUZNOSA-N 335.201 3.813 50 40 EHGB CCc1ccc(S(=O)(=O)/C(C#N)=C/Nc2ccc(OC)cc2)cc1 67340390 ARTRBPMKWROYRI-QGOAFFKASA-N 342.420 3.508 50 40 EHGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC#N)cc2)cc1 195380985 YXQUVHWPMZQTML-SSZFMOIBSA-N 347.374 3.533 50 40 EHGB O=C(CCl)Nc1c(Br)cc(F)cc1Br 1560678 DFJOVVWWRIZHJH-UHFFFAOYSA-N 345.393 3.528 50 40 EHGB N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 59133210 GTKPGMFWLGXGGR-KPKJPENVSA-N 327.727 3.794 50 40 EHGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc(F)c(Cl)c1 59334495 GZBVTKGJJZDVQF-ZSOIEALJSA-N 345.805 3.882 50 40 EHGB Cc1c(C(=O)N/N=C/c2ccc(C(C)C)cc2)cccc1[N+](=O)[O-] 59447353 BETIJAVOXMELDM-YBFXNURJSA-N 325.368 3.791 50 40 EHGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1 408748646 FYPGPGIZVLJLJL-KGENOOAVSA-N 339.439 3.614 50 40 EHGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C1\C(=O)Nc2ccccc21 408986928 NVLJSWPGLKVGPQ-VBKFSLOCSA-N 337.766 3.516 50 40 EHGB C[C@@H]1CCC2=C(C1)NC(SCC(N)=O)=C(C#N)C21CCCCC1 95117512 LFPDQSKMVGSHAN-GFCCVEGCSA-N 331.485 3.568 50 40 EHGB ClC[C@@H](Cl)COC[C@H]1CO[C@H](c2ccc(Cl)cc2)O1 6225805 CKAGUBYMMHRUIZ-AGIUHOORSA-N 325.619 3.617 50 40 EHGB CCc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cccnc3)c2C)cc1 13801927 HBNTWTLSIMNLKS-UCQKPKSFSA-N 346.434 3.815 50 40 EHGB [N-]=[N+]=Nc1ccc(C(=O)NCCSSc2ccccn2)c(O)c1 22049601 YELWNIMQOUETBV-UHFFFAOYSA-N 347.425 3.899 50 40 EHGB in-vitro Cc1cc(N2CCCC2)c(F)cc1/C=N\NC(=O)c1cccs1 35242949 SSYBSRXPBDKZOH-ODLFYWEKSA-N 331.416 3.560 50 40 EHGB O=C(N/N=C\c1cccn1-c1ccccc1)c1cc2ccccc2o1 408941084 JQPWYBYDFKTYIH-STZFKDTASA-N 329.359 3.987 50 40 EHGB O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc2cc([N+](=O)[O-])ccc2s1 102235992 UFKKCAJHXFZJHI-UHFFFAOYSA-N 344.304 3.937 50 40 EHGB CCCCCCCC(=O)N/N=C/c1ccc(N(C)CCC#N)cc1 100937096 FBPGBHPZWOVSET-LTGZKZEYSA-N 328.460 3.847 50 40 EHGB N#C/C(=C/c1ccccc1Cl)C(=O)Nc1cccc(C(=O)O)c1 408540745 BJIOCEVFGKTDGJ-JYRVWZFOSA-N 326.739 3.584 50 40 EHGB CCc1ccc(CC(=O)N/N=C\c2cccc(Br)c2)cc1 409361293 CDGATDOPTSDHGU-UNOMPAQXSA-N 345.240 3.704 50 40 EHGB COc1ccc(/C=C(C#N)\C(O)=N\c2nc(Cl)cc(Cl)n2)cc1 33403245 WVZHBLXXNBMVOS-POHAHGRESA-N 349.177 3.987 50 40 EHGB F[C@H](C(F)(F)F)C(F)(F)OC[C@@H](Br)C(F)(F)F 1083807971 LXKFPDAJPPGHIR-PWNYCUMCSA-N 342.983 3.822 50 40 EHGB Cn1/c(=N/NC(=O)c2cccc3ccccc23)sc2ccccc21 5174026 TZSAWAZGVGHGRW-VZCXRCSSSA-N 333.416 3.639 50 40 EHGB CC1=C(C#N)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 1442222 PTNJUAAWGHURAQ-INIZCTEOSA-N 343.770 3.740 50 40 EHGB CC/C(=N\NC(=O)c1c(C)nc2ccccn12)c1ccc(Cl)cc1 5070994 TXBXJDGOPFUMNS-RCCKNPSSSA-N 340.814 3.840 50 40 EHGB C[C@H](CC(=O)[C@@H]1[C@H](C)C=CCC1(C)C)NNC(=O)c1ccccc1 4548337 VMCBOPPLRJUNNR-RKVPGOIHSA-N 328.456 3.507 50 40 EHGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OC 8043176 NTCROSZBBNPYTF-YBFXNURJSA-N 332.787 3.511 50 40 EHGB N#C/C(=C\c1cccc(C(N)(F)F)c1)C(=O)Nc1ccc(Cl)cc1 23382866 NEUZJCOOKKHHLU-XYOKQWHBSA-N 347.752 3.894 50 40 EHGB C/C(=N\NC(=O)c1cc(C)oc1C)c1ccc(Br)s1 5119610 JNSLHHKVBBTDAT-OVCLIPMQSA-N 341.230 3.874 50 40 EHGB O=C(c1cc(F)cc(Cl)c1)[C@@H](Br)CBr 306792289 AFCWOVCFEDCGLZ-QMMMGPOBSA-N 344.405 3.820 50 40 EHGB F[C@H](C(F)(F)F)C(F)(F)OC[C@H](Br)C(F)(F)F 1083807972 LXKFPDAJPPGHIR-STHAYSLISA-N 342.983 3.822 50 40 EHGB Cc1cc(Cl)nc(N/C=C(\C#N)C(=O)c2ccc(Cl)cc2)n1 96307518 KMSXKTIUQBUNOL-DHZHZOJOSA-N 333.178 3.794 50 40 EHGB C/C(=N\NC(=O)c1cccc(Cn2nc(C)cc2C)c1)c1ccccc1 130413 IVFMEEYSZLWTFJ-OQKWZONESA-N 346.434 3.702 50 40 EHGB N#Cc1c(N/C=C(\C=O)c2nc3ccccc3o2)sc2c1CCC2 293911 NWGDUJOGOFHCEF-PKNBQFBNSA-N 335.388 3.902 50 40 EHGB C/C(=N/NC(=O)Cc1cccs1)c1ccc(Br)cc1 19850335 OGURMUWDUATIQW-YBEGLDIGSA-N 337.242 3.594 50 40 EHGB CNC(=O)/C(C#N)=C\c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C 208473769 MXJGMVGAGIKRPV-MLPAPPSSSA-N 329.831 3.625 50 40 EHGB CC1=C(C#N)[C@@](Nc2nc3ccccc3s2)(C(F)(F)F)C(O)=N1 4581506 CDTRPYLMBNUZOW-ZDUSSCGKSA-N 338.314 3.777 50 40 EHGB Cc1cc(C(=O)[C@H](Br)CBr)ccc1Cl 307435940 OPTZQIWURHKWQB-MRVPVSSYSA-N 340.442 3.990 50 40 EHGB COc1cccc(/C=N/NC(=O)c2cc(C3CC3)nc3ccccc23)c1 184265 NSDHAAAAQXUEFA-LPYMAVHISA-N 345.402 3.885 50 40 EHGB COc1cccc(/C=N/NC(=O)Cc2cccc3ccccc23)c1OC 55066 CFQLBSAEFJUKCL-HYARGMPZSA-N 348.402 3.550 50 40 EHGB O=C(/C=C/c1cccc2ccccc12)NNC(=O)CCc1ccccc1 1794678 GXJXKTGOSPDYPO-JQIJEIRASA-N 344.414 3.633 50 40 EHGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)NC(C)C)cc1Cl 4506799 CBLVQGYVGOTQGX-VZUCSPMQSA-N 327.211 3.824 50 40 EHGB C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 5516811 ILWUNQSDMMPUHC-NDENLUEZSA-N 341.411 3.917 50 40 EHGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OC 5654042 IIMRERPPHNHWHX-GXDHUFHOSA-N 340.354 3.779 50 40 EHGB C/C(=N\NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccc[nH]1 7859799 HCFZIZJQJWXDTK-YDZHTSKRSA-N 344.374 3.977 50 40 EHGB COC1=CC(=C(C#N)/C(=N\c2ccccc2)SC)C=C(OC)C1=O 17189166 OBXUWOAVEVYOND-CZIZESTLSA-N 340.404 3.543 50 40 EHGB O=C(NNc1ccccc1C(F)(F)F)Nc1ccc2c(c1)OCO2 32870345 NNMOVLPHUORXQS-UHFFFAOYSA-N 339.273 3.583 50 40 EHGB CCCc1[nH]nc2c1[C@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 377286 GKQRJEINEOYQEK-MRXNPFEDSA-N 336.439 3.878 50 40 EHGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccccc1F 59473278 YMEPVIJKWBXWBG-DJKKODMXSA-N 336.819 3.863 50 40 EHGB CCN1C(=O)[C@](c2ccccc2)(C(Cl)Cl)C(=O)c2ccccc21 4114561 PBYPSLGDBGUXTI-SFHVURJKSA-N 348.229 3.978 50 40 EHGB COc1cc(/C=C(/C#N)c2ccc(F)cc2)ccc1O[C@H](C)C(=O)O 409011530 NSJBMYDXKVYVJG-CDCQXCROSA-N 341.338 3.750 50 40 EHGB CCCc1n[nH]c2c1[C@@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2 8973099 WBOJNBASJDGWAW-LBPRGKRZSA-N 349.221 3.887 50 40 EHGB C/C(=N\NC(=O)CSCCc1ccccc1)c1ccc(C)cc1 408727793 SAPSWGGWSFBGRC-CAPFRKAQSA-N 326.465 3.811 50 40 EHGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 408869619 STIRPDWVARSNPI-PEGYPMJWSA-N 335.791 3.525 50 40 EHGB O=P(CCCO[C@H]1CCCCO1)(c1ccccc1)c1ccccc1 72399766 QJDKEWQRFWUBTB-FQEVSTJZSA-N 344.391 3.934 50 40 EHGB in-vitro CCN(CC)c1ccc(/C=N/NC(=O)Nc2ccccc2)c(OC)c1 48229 DHNGYBCJYHQRFN-XSFVSMFZSA-N 340.427 3.697 50 40 EHGB O=C(N/N=C/C1=C(c2ccccc2)[C@H]2C=C[C@@H]1C2)c1ccccc1O 268976 ZHJSRWVYYUMRRG-ZULXWNRWSA-N 330.387 3.768 50 40 EHGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1c[nH]c2ccccc12 4499575 MVOQUSAFPUIJDX-FOKLQQMPSA-N 345.324 3.880 50 40 EHGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1C[C@H]1CCCO1 7609388 VVOBPMLJHUPFTE-VOMPUTFMSA-N 349.434 3.830 50 40 EHGB O=C(NNc1ccccc1[N+](=O)[O-])c1csc(-c2cccs2)n1 15631700 SZDSLEGXDFEEKD-UHFFFAOYSA-N 346.393 3.537 50 40 EHGB CC(C)COc1ccc(CC(=O)N/N=C\c2ccc(F)cc2)cc1 28615455 WXRNTAGIKXCWHP-MTJSOVHGSA-N 328.387 3.553 50 40 EHGB C/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1scnc1C 41699695 MAPMEPZAFYPGDH-XSFVSMFZSA-N 345.468 3.803 50 40 EHGB N#C/C(=C/c1ccccc1)C(=O)Nc1ccc(Br)cc1 108210743 JESOFZDHKUQZMN-RAXLEYEMSA-N 327.181 3.995 50 40 EHGB C#CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1 408804799 BKCCLCAMZFEZBJ-SFQUDFHCSA-N 346.386 3.561 50 40 EHGB O=C(N/N=C/c1c(Cl)[nH]c2ccccc12)c1cc(Cl)ccc1O 4513517 XLULVDWXIOPART-UFWORHAWSA-N 348.189 3.944 50 40 EHGB C#CCn1cc(/C=N/NC(=O)c2ccccc2Cl)c2ccccc21 408586871 CTKYOIBWRZODBW-CIAFOILYSA-N 335.794 3.692 50 40 EHGB Cc1ccc(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)c(C)c1 216045983 MYGLGFWRXXDIPX-GRSHGNNSSA-N 345.786 3.558 50 40 EHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(O)cc3)c2C)cc1 5337638 GGXXLASBVSPITF-LPYMAVHISA-N 347.418 3.872 50 40 EHGB Cc1cc(Cl)ccc1OCCCC(=O)N/N=C1/C[C@H]2C=CC[C@@H]12 6270165 MBBDAZBEWAXJNN-DQSWUDLWSA-N 332.831 3.876 50 40 EHGB COC(=O)[C@@H](c1ccccc1)[C@H](Br)C(=O)c1ccccc1 1669456 NHCIONQNUCGXOA-GJZGRUSLSA-N 347.208 3.590 50 40 EHGB O=C(NNC(=O)[C@H]1C[C@H]2CC[C@@H]1C2)c1sc2ccccc2c1Cl 4975569 LAZRVSMNESJTSW-UMNHJUIQSA-N 348.855 3.752 50 40 EHGB Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2cccs2)cc1 495262 IEOMMXNNYUWXOO-QGZVFWFLSA-N 348.431 3.769 50 40 EHGB CC(C)OC(=O)c1c(NC(=O)CCl)sc2c1CC[C@H](C)C2 3252713 NBJWJGJVEILOQF-VIFPVBQESA-N 329.849 3.615 50 40 EHGB C/C(=N\NC(=O)CNc1cccc2ccccc12)c1ccc(F)cc1 5128285 LNTMPQHVVLWLGZ-OEAKJJBVSA-N 335.382 3.931 50 40 EHGB COc1cc(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1O 408744777 MVBMJOASZGHOIZ-QPEQYQDCSA-N 342.782 3.908 50 40 EHGB N#C/C(=C/c1ccc(O)c(Br)c1)c1ccc2c(c1)OCO2 409359913 CJOWKBQIMFAETO-XGICHPGQSA-N 344.164 3.948 50 40 EHGB O=C(CCCC[C@H]1CCSS1)NCCc1ccc(O)cc1 65102814 JNZXIYDSQALOJD-HNNXBMFYSA-N 325.499 3.765 50 40 EHGB biogenic O=P(c1ccccc1)(c1ccccc1)[C@H](O)c1ccc(F)cc1 159122 QXTFKOSIJXEMSI-IBGZPJMESA-N 326.307 3.831 50 40 EHGB COc1ccc(/C(C)=N/NC(=O)[C@H](C)Sc2ccccc2)cc1 313700 GSZINKYAKKYMQZ-ITRAFESCSA-N 328.437 3.716 50 40 EHGB Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1N1CCOCC1 6963825 MWOVWJQALPXHHA-AQTBWJFISA-N 349.390 3.804 50 40 EHGB C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OC)c1OCC(=O)O 59679630 KIRCPHYRKJGDJV-WOJGMQOQSA-N 349.386 3.951 50 40 EHGB CCOC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccc(C)cc12 12799815 JCTLRFKXZMYCNW-UHFFFAOYSA-N 349.390 3.601 50 40 EHGB Cc1cc(/C=C(\C#N)c2nnc(-c3ccccc3)n2C)cc(C)c1O 63412774 MRLWXKMRXZSLNS-GZTJUZNOSA-N 330.391 3.869 50 40 EHGB Cc1ccc(/C=C/C(=O)N/N=C/c2cccc(Br)c2)cc1 409057359 KZUZIQIZTOKVNL-PAADAATBSA-N 343.224 3.921 50 40 EHGB Cc1ccc(SCCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 409121123 YMEYFQDMMKZSLG-LDADJPATSA-N 343.408 3.536 50 40 EHGB CCCCOc1ccc(/C=N\NC(=O)c2ccc(C)cc2)cc1OC 40844958 ICPIJOPQXUMTJG-STZFKDTASA-N 340.423 3.946 50 40 EHGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1 5586316 WVTCEXLPJOXAGB-VXLYETTFSA-N 336.222 3.823 50 40 EHGB O=C(c1ccccc1)[C@@H](Br)[C@H](C(=O)O)c1ccccc1 1728087 VSFAAALQHJSSNQ-KGLIPLIRSA-N 333.181 3.501 50 40 EHGB NC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 565966 GNIVIVSUXHWXRA-UFWORHAWSA-N 338.194 3.575 50 40 EHGB O=C(N/N=C/[C@@]1(c2ccccc2)CC1(Cl)Cl)c1ccccc1 536349 AHGOBFHDJPSKNS-DDLUMYACSA-N 333.218 3.918 50 40 EHGB O=C(N/N=C/c1cccc(Cl)c1)c1cccc(Br)c1 3157445 RSGOIPBVFRTJFQ-RQZCQDPDSA-N 337.604 3.866 50 40 EHGB N#C/C(=C\C=C\c1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 2285235 FXZPXCKPDRIGGO-XICJKMHVSA-N 341.414 3.990 50 40 EHGB CC(C)/C=N\NC(=O)COc1ccc2cc(Br)ccc2c1 16134373 CYCQUGYTDXJJOB-NVMNQCDNSA-N 349.228 3.739 50 40 EHGB CC[C@@H](C)Oc1ccccc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 408604230 UMSCRJVEDQJAFW-KZKLBEMASA-N 341.367 3.536 50 40 EHGB CCCOc1ccc(C(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)cc1 216064541 RIDPLGSTZYCYSH-CPNJWEJPSA-N 341.367 3.538 50 40 EHGB N#C/C(=C\c1ccccc1F)C(=O)NCCc1c[nH]c2ccccc12 348589 IWCSDVKHMCUTEO-LFIBNONCSA-N 333.366 3.573 50 40 EHGB O=C(N/N=C\c1ccc(Br)o1)c1cc2ccccc2o1 15012905 BMWJIPGGJBEHQE-PXNMLYILSA-N 333.141 3.552 50 40 EHGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(N)=O 3254335 WRIGHKHGEXIGSV-QPEQYQDCSA-N 347.201 3.965 50 40 EHGB COc1cc(C=C(C#N)C#N)ccc1OCCOc1ccccc1C 4602549 FMWOLSUUYCNMLC-UHFFFAOYSA-N 334.375 3.892 50 40 EHGB Cc1cccc(/C=C/C(=O)NNc2c(F)c(F)c(F)c(F)c2F)c1 6981266 SROANNUWRCCQMJ-AATRIKPKSA-N 342.267 3.847 50 40 EHGB Cc1cc(C)c2c(N)c(C(=O)NN=C3CCCCCC3)sc2n1 7915982 RZLLOAZNPWJTTG-UHFFFAOYSA-N 330.457 3.935 50 40 EHGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1OCC 8812394 FUNOHFNVOORJSW-FYJGNVAPSA-N 342.370 3.553 50 40 EHGB O=C(N/N=C/c1ccco1)c1cc(-c2cc(Cl)cc(Cl)c2)n[nH]1 9110464 RVKBGPBVLPIBLB-QGMBQPNBSA-N 349.177 3.740 50 40 EHGB N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 16755430 JSQVYMTUGXCMGY-WQLSENKSSA-N 332.281 3.957 50 40 EHGB CCCCOc1ccc(/C=N\NC(=O)[C@H](OC)c2ccccc2)cc1 33921738 DWWSVDYYIVDYSH-CBAAQYGVSA-N 340.423 3.703 50 40 EHGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccncc3)cc21 208203247 REUNIAMOBRPFHI-CYGNYLSHSA-N 336.439 3.568 50 40 EHGB COc1cccc(/C=N\NC(=O)Nc2cccc(C)c2)c1OC(C)C 409012240 KAQRRJXRCHHCIB-NDENLUEZSA-N 341.411 3.946 50 40 EHGB CC(C)COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1 409249737 VLRBUIGCNRGQBF-MTJSOVHGSA-N 328.387 3.553 50 40 EHGB Cc1cc(/C=N/NC(=O)CNc2ccccc2)c(C)n1-c1ccccc1 7009212 ZQVNUPOGLRCYBX-OEAKJJBVSA-N 346.434 3.656 50 40 EHGB COc1ccc(CN(C(=O)CCl)[C@@H](C)Cc2cccs2)cc1 8428160 WAUIOTOQYQHPMF-ZDUSSCGKSA-N 337.872 3.955 50 40 EHGB Cc1cc(/C=C(\C#N)c2nc3ccccc3c(=O)[nH]2)cc2c1O[C@@H](C)C2 12062576 UDQLWHIPWIEVRS-RKPNYOAGSA-N 343.386 3.619 50 40 EHGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(O)c1 566394 HGYIWPCZFQYSFB-FOWTUZBSSA-N 335.407 3.784 50 40 EHGB N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)NC[C@H]1CCCO1 1452440 HWKMQMOCNNBBNB-KEWOFRHOSA-N 348.402 3.681 50 40 EHGB O=C(N/N=C/c1c(F)cccc1Cl)c1ccc(N2CCCC2)cc1 408676129 FUAIVKMCOLTPQR-CIAFOILYSA-N 345.805 3.843 50 40 EHGB CC(=O)CC[C@@]1(c2ccccc2)OC(=O)C(C#N)=C1c1ccccc1 5601935 QFVIUGHNVMVRDH-NRFANRHFSA-N 331.371 3.785 50 40 EHGB CCN(CC)c1ccc(C=NNC(=O)c2cccc3cc[nH]c23)cc1 13112068 LJOFDFVUSGJCMX-UHFFFAOYSA-N 334.423 3.778 50 40 EHGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 2742685 UHGBEAXKLOMHCW-UDWIEESQSA-N 349.346 3.927 50 40 EHGB CCNC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12 408819675 RCQORPHWNVXXFM-SFQUDFHCSA-N 329.403 3.733 50 40 EHGB COc1ccc(/C(C)=N\NC(=O)c2ccc(Cl)cc2)cc1OC 4359539 KJPWXYQALGTZQH-ODLFYWEKSA-N 332.787 3.511 50 40 EHGB C[C@@H]1Oc2ccccc2C=C1/C=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1 5573448 QHICCWBFHMYACV-VKVOASJDSA-N 332.403 3.757 50 40 EHGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(O)c2)cc1Cl 23217769 VBPLWWCFKSKWHC-KPKJPENVSA-N 328.755 3.600 50 40 EHGB O=C(N/N=C\c1ccncc1)[C@@H]1CC1(c1ccccc1)c1ccccc1 33388949 UXTGPKGCECPZGV-RNLRLKOUSA-N 341.414 3.538 50 40 EHGB Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1C(C)(C)C 408967012 ORMUTWSIURNYFP-SSDVNMTOSA-N 340.402 3.635 50 40 EHGB COc1ccc(C(=O)N/N=C(\C)c2ccc(Cl)cc2)c(OC)c1 34718250 MHVARKQQJJUYKO-YBFXNURJSA-N 332.787 3.511 50 40 EHGB Cc1ccc2nc(/C(C#N)=C/c3ccc(N4CCOCC4)cc3)[nH]c2c1 4728518 WNZVQZAIBXCYRA-GHRIWEEISA-N 344.418 3.772 50 40 EHGB Cc1cc(OCC(=O)N/N=C/C=C/c2ccccc2)ccc1Cl 3022890 CJXCGXCLHQQRJM-JNJFRLMHSA-N 328.799 3.843 50 40 EHGB C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\C=C\c1ccccc1 5174322 SOLVXYAPJUZBAG-FXLLJVTMSA-N 328.799 3.923 50 40 EHGB O=C(c1cccc(F)c1Cl)[C@@H](Br)CBr 306449939 YSOGWVIRJCTVIM-LURJTMIESA-N 344.405 3.820 50 40 EHGB N#CC1=C(N)Nc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(Cl)cc1 125666 MTAPPSILWFROPO-HNNXBMFYSA-N 349.777 3.698 50 40 EHGB O=C(CBr)c1c(Cl)ccc(Br)c1F 97437867 VLRDFOBVZMPTTH-UHFFFAOYSA-N 330.378 3.819 50 40 EHGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)o1 141798 DRFGDFGNXLVREU-DHZHZOJOSA-N 331.169 3.896 50 40 EHGB COC(=O)c1c(NC(=O)CCl)sc2c1CC[C@@H](C(C)(C)C)C2 29084 LEXHZPQATFJOEJ-SECBINFHSA-N 343.876 3.863 50 40 EHGB C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Cl 2559968 AFMYCMGTXVCJCH-LLVKDONJSA-N 329.783 3.679 50 40 EHGB CCCCOc1ccc(/C=N/NC(=O)c2ccoc2C)cc1OCC 2759418 CEIQRKQEVRLKBF-DEDYPNTBSA-N 344.411 3.930 50 40 EHGB Cc1ccc(CC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1C 408566999 JVQTYLFISBQFLN-VXLYETTFSA-N 345.786 3.558 50 40 EHGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1O 408989152 KFKQEIDXFZBDHY-QPEQYQDCSA-N 342.782 3.908 50 40 EHGB COc1ccc(C(=O)N/N=C/C=C2\N(C)c3ccccc3C2(C)C)cc1 5393601 YDAQBSZNZVAOQT-JWZHWXDPSA-N 349.434 3.722 50 40 EHGB C=CCSC1=C(C#N)[C@@H](c2ccc(Br)cc2)CC(=O)N1 2362116 NYWMADUUOGTAEP-GFCCVEGCSA-N 349.253 3.707 50 40 EHGB O=C(N/N=C/c1ccc(OC(F)F)cc1)c1c[nH]c2ccccc12 6947720 OWLQEWWTEPXTPM-ZVBGSRNCSA-N 329.306 3.533 50 40 EHGB CCc1ccc(-c2cc(C(=O)N/N=C/c3ccc(F)cc3)[nH]n2)cc1 336894 ZELLCVOUXBVUBP-CIAFOILYSA-N 336.370 3.542 50 40 EHGB CC(/C=C/c1ccccc1)=N\NC(=O)c1cc(-c2ccccc2)n[nH]1 5282526 AFRBSHAPNUSTTK-CNTOZLEXSA-N 330.391 3.896 50 40 EHGB N#CCn1cc(/C=N/NC(=O)c2cccc(Cl)c2)c2ccccc21 6269954 CFKBWRSQJHKRGL-SRZZPIQSSA-N 336.782 3.582 50 40 EHGB COc1cccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@H](C)C[C@@H]32)c1 1073567 KSOFNDIJZOZFHT-IYJAJMOOSA-N 344.418 3.535 50 40 EHGB O=c1c2ccccc2nc(CBr)n1-c1ccccc1Cl 363638 JKTQQPRUOOVMFQ-UHFFFAOYSA-N 349.615 3.934 50 40 EHGB CCOc1ccccc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1 59921972 CCNVKOCCFNZUQH-SRZZPIQSSA-N 336.313 3.868 50 40 EHGB C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1cccc2ccccc12 12566651 LWFLMKDSYSPPLD-ISXGRJCASA-N 346.386 3.520 50 40 EHGB Cc1ccc(-c2cc(C(=O)N/N=C/c3c[nH]c4ccccc34)[nH]n2)cc1 9008664 DUDQIBQEHLOWRB-WSDLNYQXSA-N 343.390 3.630 50 40 EHGB N#C/C(=C\c1cccc(Br)c1)C(=O)NCc1cccs1 409192762 AQBMHJGNDWMUAF-KPKJPENVSA-N 347.237 3.734 50 40 EHGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccccc2Cl)c(O)c1 408587101 QAZSAFCAOQURKU-VXLYETTFSA-N 332.787 3.597 50 40 EHGB Cc1ccc2sc(NNC(=O)c3ccc(N(C)C)cc3)nc2c1C 4061272 VUYFIRAJQCLWLS-UHFFFAOYSA-N 340.452 3.736 50 40 EHGB Brc1cnccc1C(Br)Br 100130609 VVUYCRDYGWBTKJ-UHFFFAOYSA-N 329.817 3.633 50 40 EHGB O=C(COc1c(Cl)cc(Cl)cc1Cl)N/N=C/c1ccco1 354848 MXVMYBABGWUISD-UBKPWBPPSA-N 347.585 3.769 50 40 EHGB CCOc1ccc(CCCC(=O)N/N=C/c2ccc(F)cc2)cc1 5872976 INZRHJBNVKDZNK-KGENOOAVSA-N 328.387 3.697 50 40 EHGB c1ccc([PH](c2ccccc2)(c2ccccc2)C2CN=NC2)cc1 104126577 IXWBWKJYYOCDHM-UHFFFAOYSA-N 332.387 3.547 50 40 EHGB C[C@H]1CCc2sc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])cc2C1 3396695 OSACKSLOWNZOBW-HPAYWCODSA-N 343.408 3.545 50 40 EHGB C/C(=N\NC(=O)c1ccccc1F)c1cccc(Br)c1 5042771 VVSSNXJXQZRUPU-VCHYOVAHSA-N 335.176 3.742 50 40 EHGB CCOC(=O)/C(C#N)=C\c1ccc(OCCOc2ccccc2)cc1 15011827 XZURJYNPZXAKKV-VKAVYKQESA-N 337.375 3.614 50 40 EHGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cc1ccc(Cl)cc1 408728391 KZTCNWXTPQTDPJ-RGVLZGJSSA-N 325.799 3.823 50 40 EHGB CCOC(=O)/C=C\c1ccc(CBr)cc1Br 83291612 OKSNICQPTJNJIV-WAYWQWQTSA-N 348.034 3.920 50 40 EHGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/C=C/c1ccccc1 6286628 OSJYEZUBQIZAIP-VBNIKMFGSA-N 347.340 3.933 50 40 EHGB Cc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1[N+](=O)[O-] 3084653 FMHBEGHPJLBJEV-RGVLZGJSSA-N 349.346 3.526 50 40 EHGB N#C/C(=C\Nc1cccc(Br)c1)C(=O)Nc1ccccc1 57414023 UKUOLIXSJUSKAN-VAWYXSNFSA-N 342.196 3.907 50 40 EHGB COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc(OC)c1O 6047435 KRAWRZZWYDVZHX-NTUHNPAUSA-N 348.358 3.681 50 40 EHGB C/C(CC(=O)Nc1c(C)cc(C)cc1C)=N\NC(=O)OC(C)(C)C 4380375 JRGFZXQPKSSHQD-XSFVSMFZSA-N 333.432 3.841 50 40 EHGB N#CCn1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c2ccccc21 408806745 BEQZKLJDRCCWQL-KAMYIIQDSA-N 344.349 3.850 50 40 EHGB C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cccc([N+](=O)[O-])c1 12362464 MRNLFPLHNPEHMB-UDWIEESQSA-N 349.346 3.608 50 40 EHGB Cc1ccc(NNC(=O)c2cncn2-c2ccccc2)cc1Cl 30546184 GRCRWMCRIUSTMU-UHFFFAOYSA-N 326.787 3.591 50 40 EHGB C=C(C)c1cccc(C(C)(C)NC(=O)NNc2nc(C)cc(C)n2)c1 3231508 KKNFMHBOXXAMTQ-UHFFFAOYSA-N 339.443 3.688 50 40 EHGB Cc1ccc2[nH]c3c(c2c1)CC[C@@H](/C=N/NC(=O)c1ccccc1)C3=O 4350844 FSXPPJFKCYMFDW-OOXYOOLHSA-N 345.402 3.637 50 40 EHGB CCOc1ccc(NCC(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1 4676282 HAADEEQXUJSNLR-FYJGNVAPSA-N 345.830 3.691 50 40 EHGB CCCN(CCC)c1ccc(/C=N\NC(=O)c2ccc(C)nc2)cc1 30802906 KPCCVSGZQCXPMZ-HMAPJEAMSA-N 338.455 3.780 50 40 EHGB CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N2CCCC2)o1 4513306 FZTOWSCSGNJPIG-SSZFMOIBSA-N 335.407 3.988 50 40 EHGB O=C(NNC(=O)C1[C@@H]2CCCC[C@@H]12)c1ccc(-c2ccccc2)cc1 349709 PXJBRJQCKAPPJL-QZTJIDSGSA-N 334.419 3.551 50 40 EHGB CCCCOc1ccc(/C=N\NC(=O)c2ccc(OC)cc2)cc1 33387881 FVGDRRQLQVOKEU-ZHZULCJRSA-N 326.396 3.638 50 40 EHGB COc1ccccc1NC(=O)N/N=C\c1cccn1-c1ccccc1 59249632 YSKYRUCOTOVENT-ZHZULCJRSA-N 334.379 3.642 50 40 EHGB CCCOc1ccc(/C=N/NC(=O)COc2ccc(CC)cc2)cc1 2080290 IAVLZASSDUZCPV-KGENOOAVSA-N 340.423 3.567 50 40 EHGB CC1=C(Cl)C(=O)[C@](C)(Cl)[C@H](Cl)/C1=N\C(=O)c1ccccc1 26787140 LGPFYERHZXIYAG-QDTXKKDGSA-N 344.625 3.968 50 40 EHGB BrCc1c(Br)cncc1Br 199762240 MVNNUPPCMJANMR-UHFFFAOYSA-N 329.817 3.502 50 40 EHGB CCN(CC)c1ccc(C(C#N)=C2C(=O)c3ccccc3C2=O)cc1 5321851 XCACTTGGWMHHAQ-UHFFFAOYSA-N 330.387 3.889 50 40 EHGB CCOC(=O)N/N=C/c1ccc(O[C@H](C)c2ccccc2)c(OC)c1 4525965 VFILOSDWMCWLBW-GNUZOCDUSA-N 342.395 3.915 50 40 EHGB C/C(=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)c1ccc(C)o1 6278718 LROQFQZLZCIGEF-KZKLBEMASA-N 334.803 3.858 50 40 EHGB CN(CCC#N)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 19074866 CVCVDBJSCMKDGE-DTQAZKPQSA-N 327.391 3.977 50 40 EHGB C#CCn1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)c2ccccc21 20194551 JIFWZSQRACKWLE-OEAKJJBVSA-N 343.430 3.584 50 40 EHGB NC(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 82375303 GMNHDULLJYCGIY-UFWORHAWSA-N 338.194 3.575 50 40 EHGB O=S(=O)(c1ccc(Cl)c(Cl)c1)C(F)(F)[C@H](F)Cl 91252543 SULJUMQWQLVKIZ-ZETCQYMHSA-N 327.538 3.894 50 40 EHGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccncc3)cc21 208203290 REUNIAMOBRPFHI-KOUDTOEKSA-N 336.439 3.568 50 40 EHGB COc1cc(N2CCCCC2)ccc1/C=N\NC(=O)c1cccs1 409236587 TVDLYZVRWCSNQA-UYRXBGFRSA-N 343.452 3.511 50 40 EHGB N#C/C(=C\c1cc(O)ccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cn1 584907828 HMBZZHZELMIOQQ-BJMVGYQFSA-N 335.241 3.778 50 40 EHGB Br[C@H]1CCCCCC[C@H](Br)C12OCCO2 40485 CPWLQKKKZJUKKB-UWVGGRQHSA-N 342.071 3.611 50 40 EHGB COC(=O)c1cccc(Cn2cc(C=C(C#N)C#N)c3ccccc32)c1 6568921 WHMZMAMFZUALGK-UHFFFAOYSA-N 341.370 3.907 50 40 EHGB CSc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 585248 XBLSXIFTKLPXMB-VCHYOVAHSA-N 334.828 3.591 50 40 EHGB C/C(=N\NC(=O)C1CCCC1)c1sc2nc(C)nc(C)c2c1C 47438299 IQFIHTMTKGOCIN-RGVLZGJSSA-N 330.457 3.647 50 40 EHGB O=C(N/N=C/c1ccc(OC2CSC2)cc1)c1ccc(Cl)cc1 408858753 PEVCBODQWYTDQN-DJKKODMXSA-N 346.839 3.598 50 40 EHGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(C)c1 409261316 CWNYDUWZYHDBCK-HZHRSRAPSA-N 342.398 3.924 50 40 EHGB C=CCn1cc(/C=C(\C#N)C(=O)NCc2ccco2)c2ccccc21 559094 VPLAJFGVPSTQJC-RVDMUPIBSA-N 331.375 3.644 50 40 EHGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nccs2)cc1 3617121 OOKRMTMSEMNEBM-SDNWHVSQSA-N 327.409 3.868 50 40 EHGB C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1C)c1ccncc1 5535636 WQUDFWXBADOTEL-KGENOOAVSA-N 345.830 3.743 50 40 EHGB CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1Cl 408773556 RWHYFYIWOPKHQV-YBEGLDIGSA-N 340.810 3.962 50 40 EHGB O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccc([N+](=O)[O-])cc1 408753093 HSVSGASGWPHUEN-CIAFOILYSA-N 345.358 3.611 50 40 EHGB O=C(NCCCP(=O)(OO)OO)Nc1cccc2ccccc12 60059845 GUIMNHRFDQKOND-UHFFFAOYSA-N 340.272 3.524 50 40 EHGB COc1ccc([C@@H](O)P(=O)(c2ccccc2)c2ccccc2)cc1 159096 SYYQNCCGNQDEMF-FQEVSTJZSA-N 338.343 3.700 50 40 EHGB C/C(=N\NC(=O)c1ccc(C)cc1)c1ccc(Br)cc1 498345 QUAXTXGCKHWOGN-LDADJPATSA-N 331.213 3.912 50 40 EHGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1Cl 567474 DBIZLVNCIOHTCT-RIYZIHGNSA-N 344.798 3.944 50 40 EHGB COc1cc(C(=O)N/N=C2/C[C@H](C)CC(C)(C)C2)cc(OC)c1OC 8298102 VJKBRMQTBWQOSP-SXPRPLFSSA-N 348.443 3.644 50 40 EHGB N#CC1=C(SCCCc2ccccc2)NC(=O)C[C@H]1c1ccco1 409128775 GSOQNKLADMNEBK-OAHLLOKOSA-N 338.432 3.984 50 40 EHGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccs1 15227641 YQPGHXJPXYCSBG-DEDYPNTBSA-N 334.400 3.677 50 40 EHGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(N)=O 408866544 GFFZKSIGKVCTSC-NTUHNPAUSA-N 347.201 3.965 50 40 EHGB O=C(/C=C/c1ccc2c(c1)OCCO2)c1ccc(O)c(CCCl)c1 13007755 XFCPACVVTYHCOH-DAFODLJHSA-N 344.794 3.841 50 40 EHGB COc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1 5358756 ZZYXWGDOOMZNSV-VXLYETTFSA-N 348.855 3.732 50 40 EHGB O=C(/C=C/c1cscn1)NN=C(c1ccccc1)c1ccccc1 64864188 HJJJDWZEMWZFGE-VAWYXSNFSA-N 333.416 3.725 50 40 EHGB CCOc1ccccc1/C=C(/C#N)C(=O)NCCCc1ccccc1 409230046 WQBAVAYZGOQRTH-CYVLTUHYSA-N 334.419 3.741 50 40 EHGB CCOc1ccc2oc(C(=O)N/N=C\c3cccc(F)c3)cc2c1 409186856 ISFMIQJPHYUTMJ-JAIQZWGSSA-N 326.327 3.735 50 40 EHGB C/C(=N/NC(=O)[C@@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 268145 JPRMBGGINQSRFU-HNIBHBHRSA-N 337.206 3.567 50 40 EHGB O=C(Cc1cccs1)N/N=C\C=C\c1ccc(Br)cc1 5945343 USABCADUKVGQOQ-IZUKZVJKSA-N 349.253 3.869 50 40 EHGB Cc1ccc(/C=C/C(=N/NC(=O)c2ccccc2)[C@@H](C)CN(C)C)cc1 17174741 UKCRSDLYVLZMKP-CNTQNIPESA-N 349.478 3.992 50 40 EHGB Cc1occc1C(=O)NNC(=O)c1sc2ccccc2c1Cl 33323 DIYDYIQNUZDXIK-UHFFFAOYSA-N 334.784 3.531 50 40 EHGB Cc1cc(N2CCC[C@@H](Br)C2=O)ccc1Br 70060845 LQMSWAGYZLICPN-LLVKDONJSA-N 347.050 3.648 50 40 EHGB in-vitro CC(C)(C)OC(=O)N1C(=O)C=C[C@H]1CO[Si](C)(C)C(C)(C)C 195836773 VOCHGZAWJOFSLN-LBPRGKRZSA-N 327.497 3.710 50 40 EHGB CC1(C)CC(=O)C=C(NNC(=O)c2ccc(-c3ccccc3)cc2)C1 12403605 OLLDFGVZEYWRQH-UHFFFAOYSA-N 334.419 3.861 50 40 EHGB CC/C(=N\NC(=O)CSc1nc2ccccc2o1)c1ccccc1 5523052 AGJIVNDPQRJLQA-XSFVSMFZSA-N 339.420 3.850 50 40 EHGB Cc1cc(C)c2c3c(c(=O)oc2c1)[C@H](c1ccccc1)C(C#N)=C(N)O3 104765954 QYAXXIQTGBUUSD-QGZVFWFLSA-N 344.370 3.628 50 40 EHGB O=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2308076 MMRCYJSCKXDLSJ-DEDYPNTBSA-N 349.346 3.548 50 40 EHGB COc1cccc(/C=C(\C#N)C(=O)c2c[nH]c3ccc(OC)cc23)c1 40139910 ZHINROAGEHQBLE-RIYZIHGNSA-N 332.359 3.975 50 40 EHGB CCOc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1 345616 ANUQHMBKLSUGRP-PXLXIMEGSA-N 332.403 3.931 50 40 EHGB COC(=O)/C(C#N)=C(\CC1=CC(=C(C#N)C#N)CC(C)(C)C1)SC 104842847 WNFPYJQHTHMSGC-FOCLMDBBSA-N 341.436 3.780 50 40 EHGB O=C(O)C[PH](Cc1ccccc1)(c1ccccc1)c1ccccc1 104196758 RIQQTCZKEMFTJN-UHFFFAOYSA-N 336.371 3.672 50 40 EHGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)c(Cl)c1)c1ccccc1 67005898 ABOXIOYAGJYBAK-CDCQXCROSA-N 326.783 3.830 50 40 EHGB COc1ccc([C@@H]2[C@H]3CCCCC=C3C(N)=C(C#N)C2(C#N)C#N)cc1 6160535 LFCXJLLCFZUGQB-QFBILLFUSA-N 344.418 3.679 50 40 EHGB Cc1cc(C(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)[nH]n1 9015381 SRUUKOOSZFFAEC-DJKKODMXSA-N 342.786 3.704 50 40 EHGB CCOC(=O)/C(C#N)=C/Nc1ccc2c(c1)OC1(CCCCC1)O2 84791151 SIPOBBZYDSAJNC-OUKQBFOZSA-N 328.368 3.501 50 40 EHGB Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)NC(C)C)o2)cc1[N+](=O)[O-] 408782289 GXTQGSHSEFLPOP-ZSOIEALJSA-N 339.351 3.595 50 40 EHGB COC(=O)CC1CCN(C(=O)CCCC[C@H]2CCSS2)CC1 79481347 XMDCHCNHGWOKAO-AWEZNQCLSA-N 345.530 3.502 50 40 EHGB N#CC1=C(SCC(=O)c2ccccc2)NC(=O)C[C@@H]1c1ccccc1 40486350 KFYYIXGINRBYRH-MRXNPFEDSA-N 348.427 3.641 50 40 EHGB O=C(NNC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccccc1 6884906 JDLHVPQSZYFTFW-UHFFFAOYSA-N 340.766 3.675 50 40 EHGB N#Cc1ccccc1-c1ccc(/C=N/NC(=O)Nc2ccccc2)o1 566649 ICTKBZFCZNNYMI-FYJGNVAPSA-N 330.347 3.974 50 40 EHGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Cl)OCO3)c1 59133258 NPLMABAINGZCLQ-AWNIVKPZSA-N 340.766 3.923 50 40 EHGB C=CCn1c(C)c(/C=N/NC(=O)CNc2ccccc2)c2ccccc21 409377905 KJCOPELRPVOHIC-OEAKJJBVSA-N 346.434 3.698 50 40 EHGB CCC[C@](C)(OC)C(=O)Nc1ccc(OCCBr)cc1 225610992 GKHMFVGLZVNXSH-HNNXBMFYSA-N 344.249 3.604 50 40 EHGB N#C/C(=C/c1cc2ccccc2o1)C(=O)Nc1ccccc1C(=O)O 98002275 UHCXMSHKQVSWMM-RAXLEYEMSA-N 332.315 3.677 50 40 EHGB O=C(N/N=C/c1cccc(Cl)c1)c1ccc(Br)cc1 62371 QQHQODCUFPSKHX-RQZCQDPDSA-N 337.604 3.866 50 40 EHGB CCN(CC)c1ccc(/C=N/NC(=O)Cn2ccc3ccccc32)cc1 4676337 LDDCNNPSJVHWQC-PXLXIMEGSA-N 348.450 3.638 50 40 EHGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cccc(N(C)C)c1 409100131 PYKQCYKDOQXXLA-UDWIEESQSA-N 345.830 3.569 50 40 EHGB C/C(=N\NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccncc1 12637512 JOPIJPMBQZFBJM-CJLVFECKSA-N 332.407 3.643 50 40 EHGB C/C(=N\NC(=O)c1cc(C)n(-c2ccccc2)c1C)c1cccnc1 6286443 FCGBHPZFMNXNAV-PXLXIMEGSA-N 332.407 3.643 50 40 EHGB N#CC(C#N)=Cc1c(Oc2ccccc2Cl)nc2ccccn2c1=O 5575660 AHLGLBSNYMZJOY-UHFFFAOYSA-N 348.749 3.571 50 40 EHGB C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc3c(c2)OCCO3)c1C 96669620 LGHUQSOCNCEINF-BOPFTXTBSA-N 348.402 3.852 50 40 EHGB C/C(=N\NC(=O)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 408599280 RTDFPTIPHVFMIH-DEDYPNTBSA-N 333.347 3.902 50 40 EHGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc(Cl)cc1 408771345 HHJDNINSFXCUCP-GDNBJRDFSA-N 327.815 3.743 50 40 EHGB COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)ccc1O 409023615 IQPKQCSYNLHABH-OCKHKDLRSA-N 344.754 3.564 50 40 EHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1 6428456 BBDVPWSLXMYTEX-RVDMUPIBSA-N 338.338 3.548 50 40 EHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2C)cc1 6428517 WFWAIELAUBZQBK-SFQUDFHCSA-N 334.375 3.717 50 40 EHGB Cc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 9200973 VTPLQJMBRWRUKP-CIAFOILYSA-N 348.358 3.717 50 40 EHGB COC(=O)N/N=C/c1ccc(O[C@@H](C)c2ccccc2)c(OC)c1 4525956 GIMYBDDERNEMPA-HCZVKUGISA-N 328.368 3.525 50 40 EHGB C#CCOc1ccc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1 409392359 PFUCHWHKJDQRGY-PTNGSMBKSA-N 329.359 3.648 50 40 EHGB CC(C)c1ccc(/C=N/NC(=O)COc2cccc3cccnc23)cc1 408755339 UEPHZNDUAUJJPW-YDZHTSKRSA-N 347.418 3.887 50 40 EHGB O=C(N/N=C\c1ccc(-c2ccccc2)cc1)c1ccc2[nH]cnc2c1 32577019 NJYOVQPLVPOYME-CFRMEGHHSA-N 340.386 3.994 50 40 EHGB N#Cc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1 33281725 OGHASCCKEBVLPB-JLPGSUDCSA-N 339.398 3.840 50 40 EHGB Cc1ccccc1C(=O)NNc1cc(C(F)(F)F)cc(Cl)n1 96190129 OELUTNHLBCFLMY-UHFFFAOYSA-N 329.709 3.819 50 40 EHGB O=S1(=O)CC2[C@H](c3ccccc3)C([C@@H]2c2ccccc2)[C@H]1Cl 4533018 TUXHSCPCLFNSMG-MWOZMSIYSA-N 332.852 3.793 50 40 EHGB O=C(NCCc1ccccn1)[C@H]1Cc2ccccc2[C@H]1C(Cl)Cl 159175 PRAQTXISVZPZDQ-JKSUJKDBSA-N 349.261 3.500 50 40 EHGB O=P(c1ccccc1)(c1ccccc1)[C@H](O)C(Cl)(Cl)Cl 1713534 UQVWCJBHZNCXJS-ZDUSSCGKSA-N 349.581 3.689 50 40 EHGB COc1ccccc1/C=N/NC(=O)c1cc2ccccc2cc1OC 301074 SDQPWRWOJSNHNZ-FYJGNVAPSA-N 334.375 3.621 50 40 EHGB Cc1cc(/C=N\NC(=O)c2ccc(-n3cccc3)cc2)cc(C)c1O 108252195 AJMBDRXWDVTSGQ-BKUYFWCQSA-N 333.391 3.564 50 40 EHGB CC(C)(C)C1CCC(=NNC(=O)C(=O)Nc2cccc(Cl)c2)CC1 59435591 KUTXRCRUFYWDIY-UHFFFAOYSA-N 349.862 3.987 50 40 EHGB Cc1ccccc1NC(=O)CCC(=O)N/N=C/c1ccc(Cl)cc1 6999075 ISGNNBVWRWQLQG-UDWIEESQSA-N 343.814 3.517 50 40 EHGB Cc1ccc(Cl)cc1C(=O)[C@@H](Br)CBr 307648834 HHTKADXVPKEYGE-VIFPVBQESA-N 340.442 3.990 50 40 EHGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 409132932 PJGAFKJXDWLEIO-VBEHJTROSA-N 343.408 3.534 50 40 EHGB CC(C)c1ccc(/C=N\NC(=O)COc2ccccc2Cl)cc1 32675369 MEYVKYCQTQFAGZ-JAIQZWGSSA-N 330.815 3.993 50 40 EHGB COc1ccc2ccccc2c1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 13114182 YDSXHEWXXXYPJI-NDENLUEZSA-N 349.346 3.521 50 40 EHGB C/C(CCc1ccccc1)=N\NC(=O)c1cccc(N2CCCC2=O)c1 4611159 AMVUYUDPXMBJQV-CJLVFECKSA-N 349.434 3.552 50 40 EHGB Cc1cc(C(=O)NNC(=O)CCC2CCCCC2)c2ccccc2n1 32721317 INYZIBYKBGTQPS-UHFFFAOYSA-N 339.439 3.665 50 40 EHGB N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(N)=O 3254326 CFMGGTDQCHMNMI-LDADJPATSA-N 328.371 3.811 50 40 EHGB C/C(=N\NC(=O)c1cccc(O)c1)c1c[nH]c2ccc(Cl)cc12 62772218 XJCCCZCEASSUOA-KEBDBYFISA-N 327.771 3.681 50 40 EHGB O=C(N/N=C(\c1ccccc1)c1ccccn1)c1ccccc1Cl 4646762 CZUSCKWTXPKQFZ-RELWKKBWSA-N 335.794 3.917 50 40 EHGB Cc1ccc(/C(C#N)=C/c2ccc(OCC(N)=O)c(Cl)c2)cc1 408581865 ZNHFAQPNFYBSNX-OVCLIPMQSA-N 326.783 3.577 50 40 EHGB CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(O)c(Cl)c2)cc1 216067952 YYVGRQZUSWJCRT-UDWIEESQSA-N 346.814 3.988 50 40 EHGB O=C(Cc1ccc(N(CCCl)CCCl)cc1)NC1CCCC1 1727163 PQNFKJYVVCKXSZ-UHFFFAOYSA-N 343.298 3.572 50 40 EHGB Cc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 52410936 BHPYEDMCOZKMHO-UDWIEESQSA-N 333.347 3.820 50 40 EHGB COc1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)c(C)c1 408970359 GSHKOJFIUJBISN-RGVLZGJSSA-N 338.363 3.522 50 40 EHGB C/C(=N\NC(=O)CNc1ccc(C)cc1)c1ccc2c(c1)CCCC2 49990 CFGPDJPGRNUYAN-XQNSMLJCSA-N 335.451 3.826 50 40 EHGB COc1ccccc1/C=C/C=N/NC(=O)c1cc(C)nc2ccccc12 40161314 KXTSNDPOBDFATA-FHGPVCLNSA-N 345.402 3.981 50 40 EHGB O=C(CSc1nc2ccccc2o1)N/N=C/C=C/c1ccccc1 2706278 PZGJVCPKOLRRJG-YKIVCEQRSA-N 337.404 3.735 50 40 EHGB N#CSc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c(Cl)c1 13467625 UXDJXEATPJSIPE-WDEREUQCSA-N 336.800 3.519 50 40 EHGB C=CCn1cc(/C=N/NC(=O)c2cccc(OC)c2)c2ccccc21 561481 VOMBHRGKHKUHOH-FYJGNVAPSA-N 333.391 3.600 50 40 EHGB CN1NC(c2ccccc2)=C(C#N)C(=O)C[C@H]1c1ccccc1Cl 5886855 DJWNNNLYEYOYQT-KRWDZBQOSA-N 337.810 3.725 50 40 EHGB Cc1c(/C=C(\C#N)C(=O)NCc2ccccc2)c2ccccc2n1C 246129 PNAXRBCRZVRBAY-SFQUDFHCSA-N 329.403 3.710 50 40 EHGB CCCc1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)o1 9204945 BGEPQHVLVASQFM-WOJGMQOQSA-N 349.228 3.687 50 40 EHGB C/C(=N\NC(=O)CSc1nc2ccccc2[nH]1)C1CCCCC1 59417066 FHNIJAGXWMCFPL-UDWIEESQSA-N 330.457 3.727 50 40 EHGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(-c2ccccc2)o1 108107166 CJJJIMXLOOXKRG-MOSHPQCFSA-N 349.346 3.548 50 40 EHGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc2c(cc1Cl)OCO2 408797808 TUDRTQKDTXITLK-AWNIVKPZSA-N 340.766 3.923 50 40 EHGB CC(C)(C)C1CCC(C(=O)NNC(=O)c2cccc(Cl)c2)CC1 6221098 WPOJRIHCZMHCKZ-UHFFFAOYSA-N 336.863 3.954 50 40 EHGB C#CCOc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC 408570040 RQOADYSADBIFFG-ZROIWOOFSA-N 347.349 3.787 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)Nc2nc3ccccc3s2)cc1 8972229 ZEIRWRVJCUGRMB-JLHYYAGUSA-N 335.388 3.851 50 40 EHGB COc1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)c(OC)c1C 409053819 QIJFVOMAGRPEBF-KEBDBYFISA-N 346.814 3.738 50 40 EHGB O=C(NNC(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1ccc(-c2ccccc2)cc1 245380056 PXJBRJQCKAPPJL-BWTSREIZSA-N 334.419 3.551 50 40 EHGB CC(C)(C)OC(=O)N1CCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1 721324812 WOIIDTCHTCGVFO-ZDUSSCGKSA-N 329.513 3.587 50 40 EHGB O=C(CCBr)Nc1ccc(Br)c(Cl)c1 2581846 TWDHZNCEYWAMKZ-UHFFFAOYSA-N 341.430 3.826 50 40 EHGB CC(C)COC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2669728 KWEBZDUYXSXAHD-NTEUORMPSA-N 340.335 3.961 50 40 EHGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)cc1 5944882 ULFGGGMVLJYZMK-GHXNOFRVSA-N 326.739 3.614 50 40 EHGB CC(C)(C)c1ccc(C(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cc1 6931301 NUCQJBBTGVZAIE-NUEKZKHPSA-N 328.456 3.571 50 40 EHGB N#CSc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c(Cl)c1 13467627 UXDJXEATPJSIPE-QWRGUYRKSA-N 336.800 3.519 50 40 EHGB N#CSc1ccc(NC(=O)C[C@@H](C(=O)O)c2ccc(F)cc2)cc1 25206882 HHDKIHWVACOOSV-OAHLLOKOSA-N 344.367 3.596 50 40 EHGB COc1ccc(C2=NN(C(=O)CCl)[C@@H](c3cccc(F)c3)C2)cc1 36034153 ITYOZDFZTKOPFK-QGZVFWFLSA-N 346.789 3.751 50 40 EHGB CCCOc1ccc(/C=N\NC(=O)Cc2ccccc2)cc1OCC 38201865 JSZVBRFGBYRPFX-QNGOZBTKSA-N 340.423 3.567 50 40 EHGB N#C/C(=C\Nc1ccc2c(c1)OCO2)C(=O)c1ccccc1Cl 96186650 ZEZPQJVUTAGZNT-PKNBQFBNSA-N 326.739 3.771 50 40 EHGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 408869610 STIRPDWVARSNPI-IACKPNEHSA-N 335.791 3.525 50 40 EHGB CCn1c(C)c(/C=N/NC(=O)CNc2ccccc2)c2ccccc21 409377402 HUECJLOOWPJNLF-LPYMAVHISA-N 334.423 3.532 50 40 EHGB CN1C=CC=C/C1=C(/C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 102923607 XGYFXPIRHWFCNQ-JQIJEIRASA-N 336.376 3.968 50 40 EHGB N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(Br)cc1 567935 ZDFNIFIWZSRYIY-FMIVXFBMSA-N 343.180 3.700 50 40 EHGB Cn1cc(/C=N\NC(=O)c2cc3ccccc3cc2O)c2ccccc21 33322522 IHESSMMVFXCCEB-UUYOSTAYSA-N 343.386 3.801 50 40 EHGB Cc1cc(/C=N/NC(=O)COc2ccccc2)c(C)n1-c1ccccc1 58926857 PAGWLOIGGNQVCO-HYARGMPZSA-N 347.418 3.623 50 40 EHGB C[C@]12CC3CC(C(=O)N/N=C/c4ccccc4O)(C1)C[C@](C)(C3)C2 100448349 VBAOGHBXBHEQQZ-RWIHPWKASA-N 326.440 3.839 50 40 EHGB c1ccc(-c2nnc(P(c3ccccc3)c3ccccc3)s2)cc1 100498940 HMSNWHUZWOUEBT-UHFFFAOYSA-N 346.395 3.963 50 40 EHGB N#C/C(=C\c1ccccc1OC(F)F)C(=O)Nc1ccccc1F 3307780 MIWIKWVKZOFONY-FMIVXFBMSA-N 332.281 3.973 50 40 EHGB COc1ccccc1/C=N/NC(=O)[C@H](C)Nc1ccc2ccccc2c1 31121 SCVNAHXZWLOANX-WXUSHSQQSA-N 347.418 3.799 50 40 EHGB COc1cc(/C=C(\C#N)c2ccccc2[N+](=O)[O-])cc(OC)c1OC 3316114 MLWUQTDIRNALKX-MDWZMJQESA-N 340.335 3.685 50 40 EHGB CCO[P@](=O)(CCBr)Oc1ccc([N+](=O)[O-])cc1 5576210 GFVULOZWFUIVMT-GOSISDBHSA-N 338.094 3.598 50 40 EHGB CCO[Si](OCC)(OCC)c1ccc(Oc2ccccc2)cc1 575182183 DIKYDVSXMXVMJG-UHFFFAOYSA-N 332.472 3.734 50 40 EHGB Cc1cc(SCC(=O)N/N=C/c2cccs2)c2ccccc2n1 350938 BQXQCGGJMBRVKJ-VCHYOVAHSA-N 341.461 3.847 50 40 EHGB COc1ccc(C(=O)N/N=C(\C)c2cccc(Br)c2)cc1 4714608 KCNSACOELCYKPM-WOJGMQOQSA-N 347.212 3.612 50 40 EHGB CCCC[C@H](C(=O)O)[C@H](C)CC(=O)NNc1ccccc1Cl 5007628 VNXSSUOECWTELR-NEPJUHHUSA-N 326.824 3.700 50 40 EHGB Cc1ccc(NC(=S)NNC(=O)c2ccccc2Cl)cc1C 5274171 OFHPPEXRLDOHDJ-UHFFFAOYSA-N 333.844 3.588 50 40 EHGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1 7210419 FNSIOVFNBPFIPH-RIYZIHGNSA-N 340.766 3.892 50 40 EHGB CN1/C(=C\C=N\NC(=O)Cc2ccccc2)C(C)(C)c2ccccc21 12550097 OMHHFDUCPCXYIC-JWZHWXDPSA-N 333.435 3.643 50 40 EHGB COc1ccc(C(=O)N/N=C/c2cc(C(C)C)c(OC)cc2C)cc1 59153507 QWXZBTXVVBQAJS-CIAFOILYSA-N 340.423 3.900 50 40 EHGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1O 408810388 IUNOGVGPNFEFJS-MDWZMJQESA-N 342.782 3.908 50 40 EHGB CCOc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1C 369446 NGQOJKOXRHUIPL-RGVLZGJSSA-N 346.814 3.576 50 40 EHGB CS/C(NC(C)C)=C(/C#N)c1nc(-c2ccc(Cl)cc2)no1 101953966 DSUARHSDBIVGQT-QINSGFPZSA-N 334.832 3.943 50 40 EHGB C/C(=N\NC(=O)c1cc(-c2ccccc2)on1)c1cc(C)ccc1O 104873598 PETMSFXWVLPROQ-DEDYPNTBSA-N 335.363 3.510 50 40 EHGB C/C(CC[C@@H]1[C@@](C)(O)CC[C@H]2C(C)(C)CCC[C@]21C)=N/NC(N)=O 105306205 YPWULSVTTBGBFG-ZJMLDYNKSA-N 337.508 3.804 50 40 EHGB Cn1c(SCCCCl)nnc1-c1ccc([N+](=O)[O-])cc1Cl 228976065 QMBSXTAIMCVCGZ-UHFFFAOYSA-N 347.227 3.765 50 40 EHGB C[C@@]1(c2ccccc2)C[C@@H]1C(=O)N/N=C/c1c(O)ccc2ccccc12 5005780 QVVOECLIGBHMMW-ZBXNVRSJSA-N 344.414 3.973 50 40 EHGB COc1ccc(/C=N/NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 16740899 JRPHWJJUZCXPHC-UDWIEESQSA-N 346.814 3.656 50 40 EHGB CN1NC(c2ccc(Cl)cc2)=C(C#N)C(=O)C[C@@H]1c1ccccc1 1620229 BDIHQYSGYOKIER-QGZVFWFLSA-N 337.810 3.725 50 40 EHGB CCCCCCCCNC(=O)C/C(C)=N/NC(=O)c1ccccc1 100956431 XMDWLVRVCDEVPP-LTGZKZEYSA-N 331.460 3.659 50 40 EHGB Cc1ccc2nc(/C(C#N)=C/c3cc([N+](=O)[O-])ccc3N(C)C)[nH]c2c1 5387294 OMDDINIIZBJVQU-NTEUORMPSA-N 347.378 3.910 50 40 EHGB O=C(/C=C/NNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 408723048 MEJRJGOVDVHKJU-CMDGGOBGSA-N 335.190 3.624 50 40 EHGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c1OC 211428325 AUHPMAVYNSYQFA-WJDWOHSUSA-N 336.391 3.866 50 40 EHGB Cc1oc(-c2cccc(I)c2)nc1CCl 199561116 ZVAUZVDXONMWLU-UHFFFAOYSA-N 333.556 3.993 50 40 EHGB COc1ccc(C2=NN(C(=O)CCl)[C@H](c3ccc(C)cc3)C2)cc1 519916 WYVCUQSAECJNLO-SFHVURJKSA-N 342.826 3.920 50 40 EHGB Cc1cc(C(=O)NNC(=O)c2ccccc2Nc2ccccc2)c(C)o1 26991520 NVFJHRBLEREVRD-UHFFFAOYSA-N 349.390 3.715 50 40 EHGB COc1cc(/C=C(\C#N)c2ccccn2)cc(Br)c1O 5068214 TXIWYRNROHWKHD-IZZDOVSWSA-N 331.169 3.622 50 40 EHGB Cc1ccc(-c2nc(C)c(C(=O)NN(C)c3ccccc3)s2)o1 31224427 MMPBAWKPKORXSK-UHFFFAOYSA-N 327.409 3.801 50 40 EHGB Cn1c(SCCCCl)nnc1-c1ccccc1Br 199765369 VKKCNIWBJNTSJW-UHFFFAOYSA-N 346.681 3.966 50 40 EHGB O=C(N/N=C/c1ccsc1)c1cc2cc([N+](=O)[O-])ccc2s1 6528395 NRZAUKVYYZOMKK-VIZOYTHASA-N 331.378 3.635 50 40 EHGB C=CCn1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c2ccccc21 409240626 LNEQSFRYBVXNRF-XKZIYDEJSA-N 335.382 3.659 50 40 EHGB O=C(N/N=C\c1ccc(Cl)cc1)N/N=C\c1ccc(Cl)cc1 31628907 XTXXYGLJPLHYKV-JZAWIKSFSA-N 335.194 3.661 50 40 EHGB C[C@@H](Br)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 153146 MJOHRGRXTHQLPX-SECBINFHSA-N 339.164 3.735 50 40 EHGB CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O1 2697923 MLYWDQHKIUYKQL-OAHLLOKOSA-N 346.814 3.763 50 40 EHGB O=[N+]([O-])c1ccc2c(c1)c(O)nn2CCc1ccccc1CCl 6513860 WLNDXQBEGWXQJH-UHFFFAOYSA-N 331.759 3.632 50 40 EHGB C=CCOc1ccccc1/C=N/NC(=O)c1ccc(OCCC)cc1 20197786 ODOMQRDLSACOSP-RCCKNPSSSA-N 338.407 3.804 50 40 EHGB COc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1[N+](=O)[O-] 3899810 WKRPGMBKHXZOPD-UKTHLTGXSA-N 334.335 3.554 50 40 EHGB Cc1cc(Cl)ccc1OCCCC(=O)N/N=C1\C[C@@H]2C=CC[C@H]12 6796704 MBBDAZBEWAXJNN-NGJIHWAJSA-N 332.831 3.876 50 40 EHGB COc1ccc(/C=N/NC(=O)CCSc2ccc(C)cc2)cc1 21322515 XHULJRFCMDGVKG-CPNJWEJPSA-N 328.437 3.636 50 40 EHGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1 408810396 IVVBITJWGUVNSH-NTEUORMPSA-N 340.766 3.892 50 40 EHGB CCOc1cccc(/C=N/NC(=O)CNc2cccc3ccccc23)c1 409390505 DMPJAULBJSXAOA-OEAKJJBVSA-N 347.418 3.801 50 40 EHGB CCCC[C@H](C(=O)NN)N1c2cc(C)c(C)cc2[C@H](C)CC1(C)C 260621860 PJYISFIADJDPHZ-NVXWUHKLSA-N 331.504 3.944 50 40 EHGB Cc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)s1 369646 AWANCQSVQZRBJQ-QGMBQPNBSA-N 336.844 3.856 50 40 EHGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc3ccccc23)c1C 6867912 MTGZJOBXSWCEPX-LPYMAVHISA-N 345.402 3.545 50 40 EHGB CCCCc1[nH]nc2c1[C@@H](c1ccnc3ccccc13)C(C#N)=C(N)O2 4620597 BEIGORCHJPVFEB-KRWDZBQOSA-N 345.406 3.519 50 40 EHGB CC(=O)N/N=C/c1ccccc1OCCCOc1ccc(C)cc1C 4600104 OCTGQWLOULOHKH-KGENOOAVSA-N 340.423 3.621 50 40 EHGB C[C@H]1C[C@H](NNC(=O)c2ccc(Br)cc2)CC(C)(C)C1 32109841 WWLNGDVKZPREJT-FZMZJTMJSA-N 339.277 3.898 50 40 EHGB CC(C)(O)c1ccccc1P(=O)(c1ccccc1)c1ccccc1 96171608 VKIKCHVXXWZMEK-UHFFFAOYSA-N 336.371 3.553 50 40 EHGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(N(C)C)cc1 352906 HEOILBRZNMVMAS-HYARGMPZSA-N 347.418 3.678 50 40 EHGB C[C@@H](Br)C(=O)Nc1ccc(Br)cc1Cl 152361 QZKVBAUJKKMPAD-RXMQYKEDSA-N 341.430 3.824 50 40 EHGB CCn1c(/C(C#N)=C\c2ccc(C(=O)OC)cc2)nc2ccccc21 33936077 OAHSSEDAPUOEDP-VBKFSLOCSA-N 331.375 3.907 50 40 EHGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2O)c1C 58927446 RQWGWBTZLJIXQZ-LPYMAVHISA-N 347.418 3.872 50 40 EHGB ClCc1ccc(-c2nn3c(CCl)nnc3s2)cc1Cl 100677528 NPDXNZWBDUJAGI-UHFFFAOYSA-N 333.631 3.984 50 40 EHGB COc1cccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)c1 408802845 IDOJFVAIJHJASI-MDWZMJQESA-N 342.782 3.903 50 40 EHGB N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ccccc1C(=O)O 566160 RDZDMIUOFINGSU-FMIVXFBMSA-N 326.739 3.584 50 40 EHGB CCOc1ccc(CCCC(=O)N/N=C/c2ccc(OC)cc2)cc1 5872980 IOHQQHNGDABFSC-RCCKNPSSSA-N 340.423 3.567 50 40 EHGB N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 12321007 UZVBXQDHMVRALQ-OXJNMPFZSA-N 342.398 3.895 50 40 EHGB CC[C@@H](Br)C(=O)Nc1sc2c(c1C#N)CCCC2 61488430 JWKVZVBUSXPEQT-SNVBAGLBSA-N 327.247 3.611 50 40 EHGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(N)=S 408542472 JBFQLEBROZTAKL-WEVVVXLNSA-N 333.756 3.701 50 40 EHGB N#C/C(=C\c1ccc(Br)s1)C(=O)NCc1ccccc1 3570318 HNXBVSGTYSXLOD-XYOKQWHBSA-N 347.237 3.734 50 40 EHGB O=C(N/N=C/c1ccc(Br)cc1)[C@@H]1C[C@@H]1c1ccccc1 4578198 QJJWMBOQPFQCPQ-QMBXGQNESA-N 343.224 3.703 50 40 EHGB Cc1cccc(OCC(=O)N/N=C\c2c(O)ccc3ccccc23)c1C 9195853 DQLXALSGNUTWIJ-UUYOSTAYSA-N 348.402 3.691 50 40 EHGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)n1nc(C)cc1C 408977275 HYFJYVKQHKTOKV-LFIBNONCSA-N 331.375 3.909 50 40 EHGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCC(C)C)cc1 408887498 OXHLHVRTNPFADJ-CIAFOILYSA-N 340.423 3.802 50 40 EHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1O 48015 LFEORMWWDIPHLR-MHWRWJLKSA-N 336.391 3.953 50 40 EHGB Cc1ccc(SCCOc2cccc(/C=C(\C#N)C(N)=O)c2)cc1 4508533 SGVWMMVFSGGYLZ-LFIBNONCSA-N 338.432 3.558 50 40 EHGB CC(=O)N/N=C/c1cccc(OCCCOc2cccc(C)c2C)c1 4615852 XHEBNPDSWQFAEG-KGENOOAVSA-N 340.423 3.621 50 40 EHGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)O)cc1 33406631 HCIQOYSWTCJUPP-PTNGSMBKSA-N 345.358 3.539 50 40 EHGB O=C(CSCCc1ccccc1)N/N=C/c1ccc(Cl)cc1 408725754 HIYQFZBAPCMNRT-XDHOZWIPSA-N 332.856 3.766 50 40 EHGB O=C(CSCc1cccc([N+](=O)[O-])c1)NN=C1CCCCCC1 408728210 WTIKIMDRJSRIQP-UHFFFAOYSA-N 335.429 3.654 50 40 EHGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC(C)C)c(OC)c1 408805619 HJARPLAJLIHZRB-FSEGOYHTSA-N 330.428 3.552 50 40 EHGB C/C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 106963353 ODIYGIIULOUROC-ISLYRVAYSA-O 347.374 3.969 50 40 EHGB CC1=CC[C@@H](/C=N/NC(=O)CC[C@H]2CCCCC23OCCO3)CC1 5163790 OAHAUAFWAVEJIZ-QIRJYLHFSA-N 334.460 3.548 50 40 EHGB CC(C)c1ccc(/C=C/C(=O)NNc2ncnc3ccccc23)cc1 6859672 MGNIURAMEZKLSE-FMIVXFBMSA-N 332.407 3.910 50 40 EHGB C[C@H](Cl)CN(Cc1cc(Cl)c(O)cc1O)C[C@@H](C)Cl 95876733 ZUFJAUDVFHWSNC-DTORHVGOSA-N 326.651 3.808 50 40 EHGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1[N+](=O)[O-] 7156541 AUCZFPJPJOPIPT-MDWZMJQESA-N 325.299 3.588 50 40 EHGB N#C/C(=C\c1ccc(N2CCCCC2)cc1)C(=O)NCc1ccccc1 3570316 JESOUOBAEJGDDI-HMMYKYKNSA-N 345.446 3.900 50 40 EHGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(Cl)cc1Cl 135150 NWVXBGVYOLTBGI-DJKKODMXSA-N 337.206 3.831 50 40 EHGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OC(C)=O 4714802 YZKUFRGPWPMBAI-NTEUORMPSA-N 333.347 3.561 50 40 EHGB CC(C)C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 17071099 QIAVQXHYUGWRRQ-CZIZESTLSA-N 339.395 3.704 50 40 EHGB CCCC(CCC)=NNC(=O)C(=O)Nc1cccc2ccccc12 59434277 GRODWUCVHNESSA-UHFFFAOYSA-N 325.412 3.851 50 40 EHGB c1ccc([PH](C[C@@H]2CCCO2)(c2ccccc2)c2ccccc2)cc1 104086772 XMIZWATWBNAVCK-FQEVSTJZSA-N 348.426 3.892 50 40 EHGB CCCCOc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 1883610 SHHOHWNDGOGHNP-CPNJWEJPSA-N 341.367 3.538 50 40 EHGB C[C@H](NC(=O)/C(C#N)=C/c1ccc(Br)o1)c1ccccc1 4544467 HOZBTLUHOANXBF-GJSJWPQCSA-N 345.196 3.826 50 40 EHGB Cc1cccc(NCC(=O)N/N=C/c2c(Cl)cccc2Cl)c1 4746722 SAWAMTWZVACCHH-AWQFTUOYSA-N 336.222 3.864 50 40 EHGB CN(NC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccccc1 4817073 HZBUHRYCZCIATF-UHFFFAOYSA-N 345.402 3.720 50 40 EHGB CCC/C(=N\NC(=O)c1ccc(OC)c(OC)c1)c1ccccc1 7141187 QSAWVRKPLXAKJM-CAPFRKAQSA-N 326.396 3.638 50 40 EHGB CC[C@@H](Br)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 61487902 KPBQMXOONPKIQX-LDYMZIIASA-N 341.274 3.857 50 40 EHGB C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 100230647 IHXGFANIUKFPRF-CYBVTFCFSA-N 335.791 3.525 50 40 EHGB N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)NCCCc1ccccc1 409234125 MBYWHRTUKVBMCH-WJDWOHSUSA-N 340.810 3.702 50 40 EHGB COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1OC 13950233 DLDMLQFGOMWXSI-FYJGNVAPSA-N 334.375 3.621 50 40 EHGB CCCc1ccc(/C(C)=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 5470274 HPSBYIYRKVOMHS-CPNJWEJPSA-N 325.368 3.701 50 40 EHGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCC)cc1 20763740 ZPLFPQFPKPNUEM-UDWIEESQSA-N 346.814 3.901 50 40 EHGB ClC[C@H](Cl)COC[C@@H]1CO[C@@H](c2ccc(Cl)cc2)O1 227267277 CKAGUBYMMHRUIZ-YNEHKIRRSA-N 325.619 3.617 50 40 EHGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(N)=O 446138 AKOYPHLDXNIKRM-GXDHUFHOSA-N 348.793 3.585 50 40 EHGB Cc1cc(C(=O)NN=C2CCCC2)c2c(C)nn(-c3ccccc3)c2n1 17072262 LODVVUBMXLFWFN-UHFFFAOYSA-N 347.422 3.697 50 40 EHGB N#C/C(=C\c1cccn1-c1ccc(O)cc1)C(=O)NC1CCCCC1 558975 GNGYRXOZYDMLCJ-FYWRMAATSA-N 335.407 3.539 50 40 EHGB CC(/C=C/C=C/c1ccccc1)=N\NC(=O)[C@H]1COc2ccccc2O1 23410912 CETKBRUYHNRQKT-NJMJDRLISA-N 348.402 3.588 50 40 EHGB CN1C(=C(C#N)C(=O)CSc2ccccc2)N(C)c2ccccc21 31676906 ZLQKLWYKRYAIKN-UHFFFAOYSA-N 335.432 3.669 50 40 EHGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Cl)c1cccc(Cl)c1 33285432 WYRHENFIZJNWNI-IUXPMGMMSA-N 338.150 3.666 50 40 EHGB C/C(=N/NC(=O)COc1ccccc1C#N)c1ccc2ccccc2c1 38722122 HXCAODRMELUFMZ-HAHDFKILSA-N 343.386 3.631 50 40 EHGB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CCl 60270765 FILFCVOZDJMQEX-CYBMUJFWSA-N 330.815 3.697 50 40 EHGB Cc1cc(-c2ccc(/C=C(/C#N)C(N)=S)o2)c([N+](=O)[O-])cc1C 108233480 IEBLCFBCPXSRSY-XFFZJAGNSA-N 327.365 3.665 50 40 EHGB C/C(=N\NC(=O)c1csc2c1CCCC2)c1ccc(C(=O)O)s1 17072420 PBTNTXNTTKVSHW-RQZCQDPDSA-N 348.449 3.541 50 40 EHGB CCc1cc(CC)c([C@@H]2C(C#N)=C(N)Nc3n[nH]c(C)c32)c(CC)c1 1312422 MNLZHTZXIGFOGX-GOSISDBHSA-N 335.455 3.657 50 40 EHGB CCOC(=O)N/N=C/c1c(C)nn(-c2ccccc2Cl)c1Cl 3275375 WMDJBMOPWXYAEA-CAOOACKPSA-N 341.198 3.568 50 40 EHGB COc1ccc(/C(C)=N/NC(=O)CSCc2ccccc2C)cc1 408788039 ADVPMRJYBSHNSY-HMMYKYKNSA-N 342.464 3.777 50 40 EHGB C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccc2ccccc2c1 12652269 OROBFNQISHPKIT-ISXGRJCASA-N 346.386 3.520 50 40 EHGB Nc1nc(N)c(-c2ccc(Cl)c(Cl)c2)c(CBr)n1 13283480 OJDUYMMGBLZOBQ-UHFFFAOYSA-N 348.031 3.510 50 40 EHGB O=C(/C=C/c1cccc(Br)c1)Oc1ccc([N+](=O)[O-])cc1 6153460 YTFNYTWYQBZDGM-RUDMXATFSA-N 348.152 3.976 50 40 EHGB COc1ccc(OCC(=O)NN=C2CCC(C(C)(C)C)CC2)cc1 6684571 YFIVMUDZTJNPPZ-UHFFFAOYSA-N 332.444 3.783 50 40 EHGB CCn1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c2ccccc21 6395899 IRQLFZLNRNMPKP-SFQUDFHCSA-N 336.416 4.000 50 40 EHGB COc1cccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)c1 409133114 ZOSXYEJRNXKKMP-ONDHQXCVSA-N 328.437 3.635 50 40 EHGB N#CSCC(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 216857285 RZFHPDZVKQUDPV-UHFFFAOYSA-N 327.340 3.787 50 40 EHGB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N/N=C/c1ccccc1F 987764 FKTAOUGCEILMEG-ZYRFJRJLSA-N 329.202 3.867 50 40 EHGB C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cccc(Br)c1 5677136 ILBXUJRFLDGOKY-GHYFRNLBSA-N 335.245 3.726 50 40 EHGB N#C/C(=C\c1cc(Br)ccc1O)C(=O)c1ccccc1 6222689 UYVBCADEWRNRGM-MDWZMJQESA-N 328.165 3.945 50 40 EHGB N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cn1 24363658 RBXVPGDTWHPUJZ-BJMVGYQFSA-N 335.241 3.778 50 40 EHGB CC(/C=C/c1ccccc1)=N\NC(=O)c1cncc(Br)c1 13895430 LPRGRTIITBEZJV-UDRLLYAISA-N 344.212 3.663 50 40 EHGB C[C@H](/C=N\NC(=O)c1ccc(Br)cc1)c1ccccc1 4702483 MYEBIJQHZDCRCM-OTWJJXBCSA-N 331.213 3.968 50 40 EHGB CCOc1cc(/C=N/NC(C)=O)ccc1OCc1cccc(Cl)c1 408720157 UUSXXDQWUCWSLR-RGVLZGJSSA-N 346.814 3.788 50 40 EHGB CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1 34196845 XUVXVDINIWELAH-FYJGNVAPSA-N 332.359 3.529 50 40 EHGB O=C(/C=C/c1ccco1)NNC(=O)c1sc2ccccc2c1Cl 70586 YHMJJRWQGAZCRE-BQYQJAHWSA-N 346.795 3.622 50 40 EHGB Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2)cc1 5546489 AYWSXEOZSGJNOZ-IBGZPJMESA-N 342.402 3.707 50 40 EHGB Cc1ccc(C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 5942710 WUNJYUUQASSVNH-YBFXNURJSA-N 325.368 3.791 50 40 EHGB N#C/C(=C\c1c[nH]c2ccccc12)C(=O)N1CCc2ccccc2C1 29025 HJZXKNAUJPBYOD-GZTJUZNOSA-N 327.387 3.660 50 40 EHGB biogenic,in-vitro N#CC1=C(N)Oc2ccccc2[C@H]1c1ccc(Br)cc1 7516553 QXXQFKFFZWTARZ-OAHLLOKOSA-N 327.181 3.667 50 40 EHGB Cc1ccc(C(=O)N/N=C/c2ccc(Br)o2)c(Cl)c1 9190589 MUZKIFVHOPCFRS-FRKPEAEDSA-N 341.592 3.768 50 40 EHGB N#C/C(=C\c1c[nH]c2ccccc12)S(=O)(=O)c1ccc(F)cc1 76538855 WQRPWEZFRNFIHD-OQLLNIDSSA-N 326.352 3.645 50 40 EHGB O=C(Cl)c1ccc(-c2ccc(I)cc2)o1 218717249 JMWAAPBYZSLMOS-UHFFFAOYSA-N 332.524 3.930 50 40 EHGB N#Cc1ccc(Oc2ccc3c4c(cccc24)C(=O)OC3=O)cc1C#N 100921997 FKDMNTRVBHMPSU-UHFFFAOYSA-N 340.294 3.686 50 40 EHGB CCOc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 96362 LPKCEIVINATHOU-QGZVFWFLSA-N 338.407 3.536 50 40 EHGB Cc1nc(S[C@@H](C)C(=O)C(C#N)=C2Nc3ccccc3N2)oc1C 102171791 YRJQTUYMPYFMEW-NSHDSACASA-N 340.408 3.614 50 40 EHGB CCOC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(F)cc1 4588230 ZXPOPZQKHOPVEF-LFIBNONCSA-N 325.339 3.875 50 40 EHGB O=C(N/N=C\C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 4775420 QLKBENULVRXGIO-BKXTUGJOSA-N 329.743 3.677 50 40 EHGB O=C(N/N=C/c1cc(Cl)ccc1O)C12CC3CC(CC(C3)C1)C2 6240430 YODARPSQLVPIMA-KEBDBYFISA-N 332.831 3.712 50 40 EHGB CCOc1ccccc1/C=N/NC(=O)[C@H](C)Oc1cccc(Cl)c1 267330 BCULSXNYDYJCOD-DZUMZMOTSA-N 346.814 3.656 50 40 EHGB CC1(C)[C@@H](I)CSc2nc3ccccc3n21 106654 WHSKUEWUSYHVJR-JTQLQIEISA-N 344.221 3.681 50 40 EHGB CCOc1ccc(/C(C)=N/NC(=O)CC2(C)SCCS2)cc1 409360395 FFOZOTGAQBZJQY-SFQUDFHCSA-N 338.498 3.512 50 40 EHGB C[C@@H]1CN(C(=O)/C(C#N)=C/c2ccc(C(C)(C)C)cc2)C[C@@H](C)O1 27026213 WTAZHUZMMYBVQM-SBSYXSKNSA-N 326.440 3.527 50 40 EHGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(Br)o1 408805743 LDTJAVVHVXUEEM-SYBXUWECSA-N 337.217 3.644 50 40 EHGB CCCCCCC/C=N/NC(=O)[C@H](NC(=O)c1ccccc1)C(C)C 8426997 DQWFCDQSAWMVKI-ISPGYRLHSA-N 345.487 3.904 50 40 EHGB C[C@H]1CN(C(=O)/C(C#N)=C\c2c(Cl)cccc2Cl)C[C@@H](C)O1 40152407 ZRHOMLQOBJXPDV-QOUWWKCMSA-N 339.222 3.536 50 40 EHGB COc1ccc2ccccc2c1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1 13114093 JXPBWQUYCPTIMI-NDENLUEZSA-N 349.346 3.521 50 40 EHGB CC(C)[C@H](C(=O)N/N=C/c1ccco1)c1ccc(OC(F)F)cc1 97238 ONIIVFAYNFETHA-VYXQJKENSA-N 336.338 3.771 50 40 EHGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2cccc3ccccc23)c1 59516020 FUYMHFMIIHLDRV-LPYMAVHISA-N 345.402 3.545 50 40 EHGB N#CSc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c(Cl)c1 13467630 UXDJXEATPJSIPE-MNOVXSKESA-N 336.800 3.519 50 40 EHGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(C)cc2O)cc1 4815582 AEBNZXAYXSZFLU-OFNOZLENSA-N 340.423 3.743 50 40 EHGB CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1Cl 408826553 DVFUZKVDQUIQHG-MDWZMJQESA-N 330.771 3.555 50 40 EHGB CC(C)Oc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Cl 409252470 XXGSLPVECPRCHA-NHDPSOOVSA-N 348.805 3.959 50 40 EHGB C[C@@H]1C[C@@H](NNC(=O)c2ccc(Br)cc2)CC(C)(C)C1 32109838 WWLNGDVKZPREJT-BXUZGUMPSA-N 339.277 3.898 50 40 EHGB C=CCSc1nc2ccccc2n1C(=O)[C@H](C)Br 5611362 DSKWAJVHVZHLKN-VIFPVBQESA-N 325.231 3.738 50 40 EHGB N#CC(C#N)=C1C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21 1320737 AQENVJYRYVSVBS-UHFFFAOYSA-N 337.741 3.827 50 40 EHGB O=C(NC1CCN(c2cccc(F)c2)CC1)C1CCC(Cl)CC1 1521041373 IVOMNHCTIJGMQF-UHFFFAOYSA-N 338.854 3.708 50 40 EHGB NNC(=O)c1ccc2nc(-c3ccc(Cl)cc3Cl)sc2c1 73635306 HSYYKUFPNQTVCO-UHFFFAOYSA-N 338.219 3.874 50 40 EHGB N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1 1078975 KSPQTNDNRMHMQE-XFXZXTDPSA-N 327.727 3.794 50 40 EHGB CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1ccc(Cl)cc1 19902331 QJQWGHZOQKDTMH-CQSZACIVSA-N 334.828 3.529 50 40 EHGB Cc1cc(SC#N)ccc1N/C=C1/C(=O)OC(=O)c2ccccc21 8491293 GGYJERFNPKNTGR-OQLLNIDSSA-N 336.372 3.718 50 40 EHGB CCCCOc1ccccc1/C=N/NC(=O)[C@H](C)Oc1ccccc1 23410734 MRFLXVYIBRDAED-WASCAKKMSA-N 340.423 3.783 50 40 EHGB COc1ccc(/C(C)=N\NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc1 28402532 KMYVRTADMDJNFR-STZFKDTASA-N 348.406 3.548 50 40 EHGB O=c1c(I)c(CCCCl)oc2ccccc12 21997143 NHPMLTMQDHTQOO-UHFFFAOYSA-N 348.567 3.569 50 40 EHGB CN(C)c1ccc(/C=C(\C#N)C(=O)OC/C=C/c2ccccc2)cc1 14675592 ZEFRKUDNUCBFTQ-MWTFMFNDSA-N 332.403 3.916 50 40 EHGB O=C(Nc1ccccc1)[C@H](Br)c1ccc([N+](=O)[O-])cc1 39475078 DKZKOVACZHEURE-CYBMUJFWSA-N 335.157 3.670 50 40 EHGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(F)cc1 59828 HKMVJYVQBRUQAC-DJKKODMXSA-N 336.819 3.863 50 40 EHGB C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)C1CCCCC1 100923019 ULWXSQIDOYRICQ-UDWIEESQSA-N 335.835 3.741 50 40 EHGB COc1cc(C)ccc1C(=O)N/N=C/c1cccc(C(F)(F)F)c1 408889621 HYKNCULENKOQJG-UFFVCSGVSA-N 336.313 3.786 50 40 EHGB Cc1ccc(SCCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 21322510 WSXMOSLFUZVJHY-LDADJPATSA-N 343.408 3.536 50 40 EHGB CCCCc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)s1 2187914 OXEUQRAGYCLBTP-MRXNPFEDSA-N 328.437 3.905 50 40 EHGB COc1cc(NC(=C(C#N)C#N)C(F)(F)C(F)(F)F)cc(OC)c1 92321 KXLHJDIQPNVRPL-UHFFFAOYSA-N 347.243 3.615 50 40 EHGB Cc1cc(C)c2c3c(sc2n1)[C@H](c1ccncc1)C(C#N)=C(N)O3 377200 JOPKDBFEPOUGIG-CQSZACIVSA-N 334.404 3.526 50 40 EHGB Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)sc2ccccc32)cc1 8748211 HOXHHEJDPMACHE-MRXNPFEDSA-N 346.411 3.788 50 40 EHGB CCOc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1 408873320 SUAWHQVAQBWJKP-NTUHNPAUSA-N 342.782 3.990 50 40 EHGB CC(C)c1ccc(OCC(=O)N/N=C/c2cccc(Cl)c2)cc1 516768 KYHXVNGYDJOQBE-RGVLZGJSSA-N 330.815 3.993 50 40 EHGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3)o2)c([N+](=O)[O-])c1 5542952 NPTVRBLWVIKPRQ-UDWIEESQSA-N 349.346 3.927 50 40 EHGB O=C(O)c1ccccc1C(=O)NN=C(c1ccccc1)c1ccccc1 3956893 JSBWNKCZWATLDM-UHFFFAOYSA-N 344.370 3.567 50 40 EHGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(O)c2)cc1Cl 96663270 VBPLWWCFKSKWHC-GHXNOFRVSA-N 328.755 3.600 50 40 EHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccnc3)c2C)cc1 7931541 QDRWNDNBHCFSMW-LPYMAVHISA-N 332.407 3.561 50 40 EHGB C#CC1(NP(=O)(OCCCl)OCCCl)CCCCC1 2272728 ZJDVURYPLUFHNQ-UHFFFAOYSA-N 328.176 3.531 50 40 EHGB CC(C)(C)OC(=O)N1CC(=O)C[C@H]1CO[Si](C)(C)C(C)(C)C 195866210 WYTKTRHPVBKXRU-LBPRGKRZSA-N 329.513 3.587 50 40 EHGB in-vitro CCOc1ccc(NC(=O)/C(C#N)=C/C2=Cc3ccccc3OC2)cc1 196323 GPNJMABWZRRBJF-SFQUDFHCSA-N 346.386 3.950 50 40 EHGB N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(N)=O 1023161 OTSBIPQETNYSDB-WOJGMQOQSA-N 328.371 3.811 50 40 EHGB COC(=O)Nc1ccc2c(c1)N(C(=O)CCl)c1ccccc1CC2 303638 QIAARHJYGNKRKZ-UHFFFAOYSA-N 344.798 3.867 50 40 EHGB COc1cccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)c1 509144 VOFAQDOZFIPOIB-FYJGNVAPSA-N 340.423 3.522 50 40 EHGB N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])C(=O)NC1CCCCC1 3251610 MYBUANZGRGNVPO-SKAFZBRJSA-N 325.368 3.507 50 40 EHGB CC(C)c1[nH]nc2c1[C@H](c1cccc3ccccc13)C(C#N)=C(N)O2 8382600 XRSWKGCBKUZOIM-MRXNPFEDSA-N 330.391 3.904 50 40 EHGB C/C(=N\NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccccc1O 409127568 NZXGTYIIHTVBSQ-ITRAFESCSA-N 328.437 3.722 50 40 EHGB O=C(c1ccc(Cl)s1)[C@H](Br)CBr 307426897 GEJAUDUYAPVGPU-SCSAIBSYSA-N 332.444 3.743 50 40 EHGB O=C(N/N=C\c1ccccc1[N+](=O)[O-])c1cc2cc(Cl)ccc2o1 409023008 AXRFDWCLUIDHOJ-NVMNQCDNSA-N 343.726 3.758 50 40 EHGB N#C/C(=C\c1ccccc1O)C(=O)Nc1ccccc1Br 141788 PAIZQZZNMQHIBD-FMIVXFBMSA-N 343.180 3.700 50 40 EHGB COC(=O)[C@@H](c1ccccc1)[C@@H](Br)C(=O)c1ccccc1 1669458 NHCIONQNUCGXOA-LSDHHAIUSA-N 347.208 3.590 50 40 EHGB Cc1c(Cl)cccc1NC(=O)CCC(=O)N/N=C/c1ccccc1 3132051 IYOVUYYAKTWCNN-UDWIEESQSA-N 343.814 3.517 50 40 EHGB C[C@@H](NC1CCCCC1)C(=O)NN=C(c1ccccc1)c1ccccc1 5720938 RKMCCWUZWZLIOF-QGZVFWFLSA-N 349.478 3.866 50 40 EHGB COc1cccc(-c2nc3ccc(NC(=O)CSC#N)cc3o2)c1 216856892 PHDJIUWZVQDMNK-UHFFFAOYSA-N 339.376 3.656 50 40 EHGB CO[C@@H]1CCN(C(=O)/C(C#N)=C/C(C)C)C[C@H]1Cc1ccc(C)cc1 585290072 RMGFGGNOYYEZIP-XFVDGSDISA-N 340.467 3.507 50 40 EHGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1 8558477 RIKCZVKZCJJBMJ-RGVLZGJSSA-N 343.814 3.698 50 40 EHGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)NCc2cccs2)cc1 4083443 JCRZWZNYUOWEIS-FOWTUZBSSA-N 339.464 3.818 50 40 EHGB CCOC(=O)/C(C#N)=C\c1ccc(Oc2nc(Cl)ncc2F)cc1 4860750 VQEZVKSEOOPSEB-XFFZJAGNSA-N 347.733 3.531 50 40 EHGB COc1ccc(/C(C)=N/NC(=O)CSc2ccc(Cl)cc2)cc1 7993713 CVIQLADIJRBDMV-XDHOZWIPSA-N 348.855 3.981 50 40 EHGB CCc1ccc2nc(/C(C#N)=C\c3ccc(OC)cc3)nc(O)c2c1 35239672 YOQUHUNHDSNYCL-GDNBJRDFSA-N 331.375 3.971 50 40 EHGB CC(C)C(=O)N1CCCc2ccc(NC(=O)C(C)(C)CCl)cc21 5136405 NZTDLILCPARFGZ-UHFFFAOYSA-N 336.863 3.825 50 40 EHGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1 52511 DNKNZUXEZMQUKQ-XMHGGMMESA-N 333.435 3.756 50 40 EHGB C/C(=N\NC(=O)CSc1ccc(Cl)cc1)c1ccccc1O 59383035 PBDXFBRLZMLHGU-WOJGMQOQSA-N 334.828 3.678 50 40 EHGB COc1ccc([N+](=O)[O-])cc1/C=C(/C#N)c1nc2ccc(F)cc2[nH]1 408568474 JMFSSJYJFYVYMT-WDZFZDKYSA-N 338.298 3.683 50 40 EHGB CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1cccs1 4813858 RFBNCRCXEUYGNV-OAHLLOKOSA-N 335.388 3.581 50 40 EHGB O=C(N/N=C/c1ccc(OC2CSC2)cc1)c1cccc(Cl)c1 408873197 OHTUTLROGLBYAN-DJKKODMXSA-N 346.839 3.598 50 40 EHGB C[C@@H](Cl)C(=O)Nc1ccc(I)c(Cl)c1 96029393 JXYQGYNQTPURNG-RXMQYKEDSA-N 343.979 3.510 50 40 EHGB COC(=O)c1ccc(N/C=C(\C#N)c2nc(C3CC3)cs2)cc1 16917386 WEBVNEMXUBKHFW-UKTHLTGXSA-N 325.393 3.784 50 40 EHGB CCOc1ccc([C@H]2[C@@H]3CCCC=C3C(N)=C(C#N)C2(C#N)C#N)cc1 4730247 IFZSQJXQNFWXDW-APWZRJJASA-N 344.418 3.679 50 40 EHGB Cc1cccc(Cl)c1C(=O)[C@@H](Br)CBr 306823563 QKZSSFSOYVPNFH-ZETCQYMHSA-N 340.442 3.990 50 40 EHGB COC(=O)COc1ccc(/C=C(/C#N)c2cccc(Cl)c2)cc1 408599693 YQEHSYQREZUVOO-DHDCSXOGSA-N 327.767 3.956 50 40 EHGB Cc1ccc(/C=C/C(=O)N/N=C/c2cc3cc(C)ccc3nc2O)cc1 409056022 QRIVPPOKQHKKPV-YLIBAXIESA-N 345.402 3.721 50 40 EHGB C=CCOc1ccc(/C=C(/C#N)c2nc(N)c3ccccc3n2)cc1 48265611 FOGMCCZXINIKLP-QINSGFPZSA-N 328.375 3.841 50 40 EHGB Cc1ccc(C(=O)[C@H](Br)CBr)cc1Cl 307103914 FLHWDQPARVRZJS-MRVPVSSYSA-N 340.442 3.990 50 40 EHGB CC(C)COc1ccc(CC(=O)N/N=C/c2ccc(F)cc2)cc1 502329 WXRNTAGIKXCWHP-CIAFOILYSA-N 328.387 3.553 50 40 EHGB Cc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccn2)c(C)c1C 188553 ATEFFKIABTYMSG-PZUDMAOCSA-N 327.453 3.638 50 40 EHGB CCC(=O)Oc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OC 3902882 YXUHACZCRNYIKR-GXDHUFHOSA-N 347.374 3.951 50 40 EHGB CCCC/C(C)=N\NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 408718612 JGVOEDREUDBJEB-NVMNQCDNSA-N 330.215 3.614 50 40 EHGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc(C)c2)cc1 83261085 OMRALYWABCUQAR-SFQUDFHCSA-N 335.359 3.684 50 40 EHGB C[C@H](OCc1ccccc1)C(=O)NNc1ccccc1C(F)(F)F 40088925 HMILUBCRKTXLMD-LBPRGKRZSA-N 338.329 3.754 50 40 EHGB N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccccc1 477582 UAOADYASEAREGY-ACJLOTCBSA-N 348.427 3.957 50 40 EHGB CCn1nc(C)c(/C(C)=N/NC(=O)C23CC4CC(CC(C4)C2)C3)c1C 58196331 MUQBPUVHQZZCSM-CIAFOILYSA-N 342.487 3.576 50 40 EHGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)n1nc(C)cc1C 408810274 IMVKKRSPPOTTQO-RIYZIHGNSA-N 329.787 3.799 50 40 EHGB Cc1ccsc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 3903298 QZUGWDWACCSEFZ-ZDUSSCGKSA-N 334.404 3.665 50 40 EHGB O=C(Nc1ccc(F)c(Cl)c1)[C@@H](Cl)C(=O)c1ccccc1 5753074 JIZFXHQHMNYISC-ZDUSSCGKSA-N 326.154 3.908 50 40 EHGB COc1ccc2[nH]c(-c3ccccc3)c(/C=C(\C#N)C(=O)N(C)C)c2c1 408780923 NJTXDXUONJCUAA-RVDMUPIBSA-N 345.402 3.839 50 40 EHGB N#C/C(=C/c1ccc(O)c(Br)c1)c1ccc(C(=O)O)cc1 408544978 WMPXWKBJMXDZRY-QPEQYQDCSA-N 344.164 3.917 50 40 EHGB NNC(=O)c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 216948210 PFKFYVOZUYHIPX-UHFFFAOYSA-N 334.206 3.600 50 40 EHGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C[C@H]2C=CC[C@H]12 4155793 HRBVLWOKJJRCCI-IYDPFMKWSA-N 339.222 3.829 50 40 EHGB CN(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 15219810 AWGIAYOMTCDPDC-KAMYIIQDSA-N 325.799 3.952 50 40 EHGB C/C(=N\NC(=O)C1[C@H]2CCCC[C@H]12)c1ccc(Br)cc1 100025839 KRDBWWMPMKJBMX-JXIDHOQNSA-N 335.245 3.726 50 40 EHGB C/C(=N\NC(=O)CCc1ccccc1)c1ccc(Br)cc1 4587749 LJQSCDCWROSSBE-CPNJWEJPSA-N 345.240 3.922 50 40 EHGB CCCC/C(C)=N/NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl 21743255 GWVRMZRYLIGIRL-NGYBGAFCSA-N 337.638 3.920 50 40 EHGB N#CC1=C(S)N=C(O)[C@H]([n+]2ccccc2)[C@H]1c1ccc(Cl)cc1 13115401 YKOZVEHBOXOHDC-LSDHHAIUSA-O 342.831 3.587 50 40 EHGB CCc1ccccc1NC(=S)NNC(=O)c1ccc(Cl)cc1 5274153 FZFYUGGRQPUCJY-UHFFFAOYSA-N 333.844 3.534 50 40 EHGB CC1=C(Cl)C(=O)[C@@](C)(Cl)[C@@H](Cl)/C1=N\C(=O)c1ccccc1 26787132 LGPFYERHZXIYAG-HUORVXEJSA-N 344.625 3.968 50 40 EHGB CCOC(=O)/C(C#N)=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 409334645 HVWWKMVKNUZQQO-YRNVUSSQSA-N 345.738 3.768 50 40 EHGB COc1ccc(-c2nc3cc(NC(=O)CCl)ccc3o2)cc1OC 216855233 JIYNIQVJGIDNEN-UHFFFAOYSA-N 346.770 3.689 50 40 EHGB N#C/C(=C/c1ccc(Br)s1)C(=O)NC1CCCCC1 33361060 KMGOQKHOTWCMEZ-NTMALXAHSA-N 339.258 3.866 50 40 EHGB O=C(N/N=C\c1ccccc1OCc1ccc(F)cc1)c1ccncc1 83315545 JAQICSIXTLXQKH-QRVIBDJDSA-N 349.365 3.564 50 40 EHGB O=C(CCl)NNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 332759 BSJBBEXCQYOXPD-UHFFFAOYSA-N 347.205 3.632 50 40 EHGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=S)Nc1ccccc1 4530245 CAVWUSIXFVCWFH-UHFFFAOYSA-N 343.496 3.611 50 40 EHGB O=C(Cc1ccc(F)cc1)N/N=C/c1ccc(Cl)cc1Cl 482939 ZLEFOQSABCIMLH-DJKKODMXSA-N 325.170 3.825 50 40 EHGB CC(C)(C)c1cc(C(=O)N/N=C\c2c(Cl)[nH]c3ccccc23)[nH]n1 54959722 MBTAWPWJRDYMEQ-OCKHKDLRSA-N 343.818 3.606 50 40 EHGB C[C@@H](Br)C(=O)Nc1sc2c(c1C#N)[C@H](C)CCC2 18195244 KVOARZXEXIECCW-HTQZYQBOSA-N 327.247 3.781 50 40 EHGB C[C@@H](/C=N\NC(=O)c1ccc(Br)cc1)c1ccccc1 4702482 MYEBIJQHZDCRCM-SJWFJVLYSA-N 331.213 3.968 50 40 EHGB C=CCc1cc(/C=N\NC(=O)Nc2ccccc2)cc(OCC)c1O 408849844 ZURBSDRQESZQIR-MOSHPQCFSA-N 339.395 3.675 50 40 EHGB N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(N)=O 255753428 GXJSAZLWUMXEDK-NTUHNPAUSA-N 347.201 3.965 50 40 EHGB N#CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1 17427308 RCJVZNGGZIQJKP-KEBDBYFISA-N 348.189 3.660 50 40 EHGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc3ccccc3n2)cc1 244837 JPILLFKTUOMTDI-PXLXIMEGSA-N 346.434 3.845 50 40 EHGB COc1ccc(/C(C)=N/NC(=O)c2ccc(C)cc2Cl)cc1OC 13842673 HOJLPAUOLOOHSD-UDWIEESQSA-N 346.814 3.820 50 40 EHGB CCOc1cccc(/C=N/NC(=O)c2ccccc2Br)c1 20760533 ACYQXTZVGUKLPD-WOJGMQOQSA-N 347.212 3.612 50 40 EHGB C=CCOc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1OC 45330501 QFQJGBJJHHOHRV-UDWIEESQSA-N 344.798 3.677 50 40 EHGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC#N)cc2)c1 408745849 PNRHDTCJJJBRSO-VBKFSLOCSA-N 347.374 3.533 50 40 EHGB COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Cl 408854746 CBUZOZRLDBYPFZ-GRSHGNNSSA-N 328.755 3.859 50 40 EHGB COc1ccc(NC(=O)/C(C#N)=C/c2sccc2C)c([N+](=O)[O-])c1 408923934 LGKVXZJSQAVVNT-YRNVUSSQSA-N 343.364 3.519 50 40 EHGB N#CCC(=O)N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1 409072515 CJZLKKQMHCUPLM-YBFXNURJSA-N 329.812 3.855 50 40 EHGB Cc1c(-c2ccc(/C=N/NC(=O)c3ccccc3)o2)cccc1[N+](=O)[O-] 409170091 SWDFWSVKCWXYDO-UDWIEESQSA-N 349.346 3.927 50 40 EHGB CCc1ccc(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)cc1 409363795 NRIXATWNXZFASC-ODLFYWEKSA-N 345.786 3.503 50 40 EHGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1 59198863 JCZUVAPONAWOJU-QGOAFFKASA-N 330.387 3.861 50 40 EHGB O=C(/C=C/c1cccnc1)NN=C(c1ccccc1)c1ccccc1 58345244 CMHAWMNWHVCFNT-BUHFOSPRSA-N 327.387 3.664 50 40 EHGB O=C(N/N=C/C(Br)=C\c1ccccc1)c1cccc(F)c1 71335861 OZCUZBJBMGFIAG-XDUHZVATSA-N 347.187 3.977 50 40 EHGB O=C(N/N=C\c1ccc(N2CCCCC2)cc1)c1ccc(F)cc1 35614738 MVAWAQMFYFEOTF-STZFKDTASA-N 325.387 3.580 50 40 EHGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1O 7210394 UKTMKHIPPKEYBY-NTUHNPAUSA-N 342.782 3.908 50 40 EHGB CCN(CC)c1ccc(NC(C#N)=C2C(=O)c3ccccc3C2=O)cc1 149280 NPSXPKHUGJMYHZ-UHFFFAOYSA-N 345.402 3.802 50 40 EHGB CCCCCCOc1ccc(/C=N/NC(=O)c2cccnc2)cc1 3573169 YWTQQNRAGAXRCB-KGENOOAVSA-N 325.412 3.805 50 40 EHGB CC[C@H](C)Oc1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1 6440727 OPSDYHGUHOGZRK-LBPRGKRZSA-N 346.814 3.592 50 40 EHGB CC(C)/C=N\NC(=O)CCCCCCCCC(=O)N/N=C/C(C)C 17024781 ATQVDHVLGHPJAP-LRVMPXQBSA-N 338.496 3.623 50 40 EHGB C[C@@H](CN(C)C)C(/C=C/c1ccccc1)=N/NC(=O)c1ccccc1 17175037 MJYLOPMYSPGXGO-PKGJIVAYSA-N 335.451 3.684 50 40 EHGB COc1cc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cc(OC)c1 40161155 NFOUTYVSMKKDJR-AUWJEWJLSA-N 332.359 3.975 50 40 EHGB COc1cccc(C(=O)/C(C#N)=C(\O)Nc2ccc(F)cc2F)c1 100938798 YNEPJBIZSKHQEU-LGMDPLHJSA-N 330.290 3.561 50 40 EHGB CC(C)COc1ccc(/C=N/NC(=O)CSc2ccccc2)cc1 408839531 AHZOASOOMPOQMM-UDWIEESQSA-N 342.464 3.964 50 40 EHGB O=C(NNC(=O)C1CCC(c2ccccc2)CC1)C1CCCCC1 348848 JLZFCFQPVRNWQO-UHFFFAOYSA-N 328.456 3.688 50 40 EHGB CC[C@@H](Nc1cccc(Cl)c1)C(=O)N/N=C/c1ccc(F)cc1 370108 FJQKFQJSNFZZNR-MBTVCVBTSA-N 333.794 3.820 50 40 EHGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(F)cc2)c1 59473568 YANRMYOWTSYVLB-KEBDBYFISA-N 330.428 3.826 50 40 EHGB Cc1ccc2sc(NNC(=O)c3c(F)cccc3F)nc2c1C 4121437 NYPUXPUTXMPOJN-UHFFFAOYSA-N 333.363 3.948 50 40 EHGB Nc1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1 3262855 ZNQOILCEAMSEAE-OEAKJJBVSA-N 345.402 3.612 50 40 EHGB CC(=O)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 59116960 TXMBNPKFTJQRPP-UVTDQMKNSA-N 340.766 3.811 50 40 EHGB Cc1ccc(OCC(=O)N/N=C/c2ccc3ccccc3c2O)cc1C 4616288 YUHQRWKCROWTRI-WSDLNYQXSA-N 348.402 3.691 50 40 EHGB O=C(CBr)Nc1ccc(OCCc2ccccc2)cc1 35605064 XGIFQXIEDBHMAS-UHFFFAOYSA-N 334.213 3.642 50 40 EHGB CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(N)=O)cc2)cc1 5613765 PAPGQFVJLRVGIH-FOWTUZBSSA-N 348.402 3.596 50 40 EHGB Cc1ccccc1C(=O)N/N=C/c1ccc(Sc2ccccn2)o1 62877 DZVKZQACAGTRQB-UDWIEESQSA-N 337.404 3.898 50 40 EHGB C/C(CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O)=N/NC(N)=O 4856588 YPWULSVTTBGBFG-QTEKRENWSA-N 337.508 3.804 50 40 EHGB CN(C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1)C1CCCCC1 33679980 GOSZQLXJIFOYMW-KAMYIIQDSA-N 334.366 3.986 50 40 EHGB C/C(=N\NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 59447282 KDKRSXHESQUYRS-GIJQJNRQSA-N 335.722 3.541 50 40 EHGB C=CCn1c(C)c(/C=C(\C#N)C(=O)NCc2ccco2)c2ccccc21 4081777 CXPNLBMENCTRDU-FOWTUZBSSA-N 345.402 3.952 50 40 EHGB C=C(C)C(=O)OCCC[Si](OC(C)C)(OC(C)C)OC(C)C 169806718 CHPNMYQJQQGAJS-UHFFFAOYSA-N 332.513 3.710 50 40 EHGB CSc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1 6367751 WJAAIPYJNKARDB-XSFVSMFZSA-N 335.432 3.963 50 40 EHGB N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1cccs1 1428250 RXYIPWZHPLDAEL-ZDUSSCGKSA-N 338.413 3.541 50 40 EHGB NC(=O)c1sc(=S)n(-c2ccccc2)c1/N=C(\O)CCCl 53944188 KKYGLJNGMAYCAD-UHFFFAOYSA-N 341.845 3.584 50 40 EHGB N#CCn1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c2ccccc21 107616160 CSMZYJKHWQEOBF-QINSGFPZSA-N 332.407 3.521 50 40 EHGB C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 3887339 BXVQWLADDAMMOM-QMMMGPOBSA-N 348.185 3.681 50 40 EHGB C/C(=N\NC(=O)CSCc1ccccc1Cl)c1ccccc1O 5282461 LABACTGWXFGNML-XDHOZWIPSA-N 348.855 3.819 50 40 EHGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccccc1Cl 408793118 NMENORPPSRMJHP-KPKJPENVSA-N 326.739 3.614 50 40 EHGB CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NC(C)C)cc1Cl 33737868 CBLVQGYVGOTQGX-WZUFQYTHSA-N 327.211 3.824 50 40 EHGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(Cl)c2)c1 255573246 KIFXIHBZDILOBB-MDWZMJQESA-N 342.782 3.903 50 40 EHGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)cc1 5660599 QWFUGHZPKSQORV-GXDHUFHOSA-N 340.766 3.672 50 40 EHGB CCOc1c(Br)cc(Br)cc1C(=O)Cl 57332011 MCLAVDNGVUTOLJ-UHFFFAOYSA-N 342.414 3.989 50 40 EHGB CC1=C[C@H](C)[C@H]2CO[C@H](c3ccccc3)[C@@H]1[C@@H]2COC(=O)CCl 35360911 WDVFWRCDJREHFA-GEQZRMBCSA-N 334.843 3.985 50 40 EHGB Cc1nn(-c2ccccn2)c2c1C(=O)CC(C)(C)[C@H]2Br 78300 NSKDXALGDBAGSA-AWEZNQCLSA-N 334.217 3.624 50 40 EHGB COc1ccc(CC(=O)N/N=C/c2ccc(OC)c3ccccc23)cc1 587295 MSIDCFRDIIXEFM-HYARGMPZSA-N 348.402 3.550 50 40 EHGB C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1C)c1cccnc1 17072042 MPWOIIAWBXHKIP-KGENOOAVSA-N 345.830 3.743 50 40 EHGB N#CC1=C(NC(=O)c2ccccc2)CC[C@@](C#N)(c2ccccc2)C1 1025925 LSGWOPDHOBCEKB-OAQYLSRUSA-N 327.387 3.840 50 40 EHGB CC(=O)N/N=C/c1ccccc1OCCSc1ccc(Cl)cc1 4510949 SLKZRUFYMVQUFP-XDHOZWIPSA-N 348.855 3.981 50 40 EHGB C[C@@H]1CC=C2[C@H](C1)[C@@H](c1ccccc1F)C(C#N)=C(N)C2(C#N)C#N 19853281 IZDFGUXRWGVVCH-UVBSCNOISA-N 332.382 3.665 50 40 EHGB COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C 408768951 MVLSASJAFSSBAH-HYARGMPZSA-N 347.418 3.867 50 40 EHGB COc1ccc(/C=N/NC(=O)[C@H](C)Nc2ccc3ccccc3c2)cc1 31089 GVRWEVJCGYYMPJ-WXUSHSQQSA-N 347.418 3.799 50 40 EHGB CCc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)C(C#N)=C(N)O2 479994 JERSNIAHVSINMB-GOSISDBHSA-N 342.402 3.653 50 40 EHGB Cc1ccc(CN(CCBr)CCBr)cc1 1631294 NETHFCDHVWRCBZ-UHFFFAOYSA-N 335.083 3.587 50 40 EHGB C/C(=N\NC(=O)c1ccncc1)c1ccc2c(c1)Cc1ccccc1-2 4964478 QLUGPXUONCPLTN-OEAKJJBVSA-N 327.387 3.807 50 40 EHGB N#CC1=C(N)n2c(nc3ccccc32)N[C@@H]1c1c(F)cccc1Cl 20086237 IMSGRNJDUIHJDW-HNNXBMFYSA-N 339.761 3.646 50 40 EHGB O=C(CBr)c1cc(-c2cccc(C(F)(F)F)c2)no1 4091442 SLENEEFOCMDXQG-UHFFFAOYSA-N 334.091 3.938 50 40 EHGB N#C/C(=C\c1ccc(Sc2ncccn2)o1)C(=O)Nc1ccccc1 409101236 APXUHAJKBKPHMD-ACCUITESSA-N 348.387 3.766 50 40 EHGB CCOC(=O)/C(C#N)=C\c1ccc(NC(=O)/C=C/c2ccccc2)cc1 6179619 OXDZDCUFJZAITM-LQZBDKQGSA-N 346.386 3.809 50 40 EHGB N#C/C(=C\c1ccccc1O)c1nnc(NC(=O)c2ccccc2)s1 4478125 NBUWZHLQUZPOED-GXDHUFHOSA-N 348.387 3.560 50 40 EHGB CC(C)(C)C(=O)/C(C#N)=C/c1cc2c(cc1Br)OCO2 6552313 BXJHSHRPAYJTFH-ONNFQVAWSA-N 336.185 3.700 50 40 EHGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)C[C@@H](C)O3)cc1 40018652 WAZJDLWMAPTIEY-RFRKOGIWSA-N 348.402 3.954 50 40 EHGB N#C/C(=C/c1ccccc1F)C(=O)NCCc1c[nH]c2ccccc12 13424401 IWCSDVKHMCUTEO-WJDWOHSUSA-N 333.366 3.573 50 40 EHGB O=[P@](CCl)(OCCCCl)N(CCCl)CCCl 1694124 GMPTYZFCGCJKND-MRXNPFEDSA-N 331.007 3.801 50 40 EHGB Cc1cc(C)nc(NNC(=O)c2sc3ccccc3c2Cl)n1 11334069 LZFQFGZNYVPDKY-UHFFFAOYSA-N 332.816 3.718 50 40 EHGB CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C[C@H]3C=C[C@H]2C3)cc1 101640355 AYMDFCDLGUDIPV-SAEUBETBSA-N 339.439 3.599 50 40 EHGB O=C(CN1C(=O)c2cccc3cccc1c23)NN=C1CCCCCC1 108904666 MLJPXBZPXXFAHB-UHFFFAOYSA-N 335.407 3.626 50 40 EHGB COc1ccc(C(=O)N/N=C(\C)c2cc(C)c(C)cc2C)cc1OC 8102296 IFXXKVSAWCMQPJ-RCCKNPSSSA-N 340.423 3.783 50 40 EHGB COCCn1c(C)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c1C 408570243 SYUHBSFUEBRGAK-DHDCSXOGSA-N 338.386 3.831 50 40 EHGB CCCCCOc1ccc(/C=N/NC(=O)c2cc(C3CC3)n[nH]2)cc1 4135891 OXYAMUFXTQKHST-DEDYPNTBSA-N 340.427 3.620 50 40 EHGB CCCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccncc1 15224553 NQXJDASHBXSYTJ-HMAPJEAMSA-N 333.391 3.788 50 40 EHGB Cc1cc(C)c([C@@H]2[C@@H]3CCC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)c1 42531 QWKHHQOBOXPDAH-APWZRJJASA-N 328.419 3.815 50 40 EHGB COc1ccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@@H](C)C[C@H]32)cc1 34914863 HTOYCAGQFXFQLG-NRXGSXMXSA-N 344.418 3.535 50 40 EHGB Cc1ccccc1NNC(=O)/C=C/c1cnc(-c2ccccc2)nc1 408531296 LPGZUQUQZKDNJG-VAWYXSNFSA-N 330.391 3.609 50 40 EHGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1 408755559 VPCYIUVAOPGJKF-NTEUORMPSA-N 340.766 3.811 50 40 EHGB COc1cccc([C@@H]2[C@H]3C[C@H](C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 5690820 LWQBCYAGJBCXKH-XVGQJIODSA-N 344.418 3.535 50 40 EHGB COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1c(C)n[nH]c1C 40549476 RRQGLHVCAKGAFU-WUXMJOGZSA-N 344.802 3.543 50 40 EHGB O=C1C=CC(=O)N1c1ccc2c(c1)[C@H](Br)c1ccccc1-2 2044738 IFJRQCHECGNXRQ-QGZVFWFLSA-N 340.176 3.581 50 40 EHGB Cc1ccc(C)c(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)c1 566319 OMPSTRCBSVIQBN-WSDLNYQXSA-N 348.402 3.691 50 40 EHGB Cc1cccc(-n2nc(C(=O)NN)cc2-c2ccc(C(C)C)cc2)c1 59472504 KRNXTBAOCAZEJH-UHFFFAOYSA-N 334.423 3.575 50 40 EHGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(Br)cc2)n1 408980406 WIKILUVPZUUIFU-MDWZMJQESA-N 330.185 3.510 50 40 EHGB CCOc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)c(OCC)c1 409059180 UWKHGDWDDKYVDH-OGQRGIPTSA-N 344.455 3.760 50 40 EHGB Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(N)=O)cc1 408873039 MDOYSNDOZJBKFH-OVCLIPMQSA-N 326.783 3.620 50 40 EHGB C/C=C1\C[N+]2(CCC)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 1280126 NNGQLOSIKGOGJJ-XWRXFDQGSA-O 335.471 3.782 50 40 EHGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3O)c2C)c1 5740584 DKESDVNFIINHOJ-LPYMAVHISA-N 347.418 3.872 50 40 EHGB N#CC1=C(N)OC(/C=C\c2ccccc2)=C(C#N)[C@@H]1c1ccccc1 17175916 FQTXMNYLIJKFRA-DUQGCJEPSA-N 325.371 3.985 50 40 EHGB C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc(Cl)c1 3167541 ZMRUVUQVSRWPGJ-VSMYLPJWSA-N 337.206 3.911 50 40 EHGB CO[C@@H](C(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1ccccc1 567204 CAZMOQQMNJNGTR-GDXCHIGESA-N 337.206 3.831 50 40 EHGB NC(=O)NN=C1[C@@H]2CCC[C@@H]1[C@H](c1ccccc1)N[C@@H]2c1ccccc1 101312103 BNJXNKFPPJGIBR-MKXGPGLRSA-N 348.450 3.513 50 40 EHGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc(F)c2)cc1 3171271 JRWWPGZFLZGLKD-CIAFOILYSA-N 328.387 3.652 50 40 EHGB CCCCCCC/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 107565014 CPNSKNKOYIYQPH-MHWRWJLKSA-N 336.348 3.579 50 40 EHGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1Cl 409019627 ZZPYNKWXHYPHPG-ZICWZVMQSA-N 346.814 3.987 50 40 EHGB Cn1c2ccccc2c2cc(/C=N/NC(=O)c3ccc(N)cc3)ccc21 15933903 UOHMCFZNGFEWEK-YDZHTSKRSA-N 342.402 3.678 50 40 EHGB C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)c1 255141709 ZBRNSRDDOIKJGH-VBKFSLOCSA-N 334.375 3.806 50 40 EHGB CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 5393668 JXBIBZXYRBSWEW-SDNWHVSQSA-N 325.799 3.952 50 40 EHGB COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)Cl)cc1 3394157 HZMBAZOVOPNGLA-NSHDSACASA-N 332.787 3.513 50 40 EHGB Nc1ccccc1C(=O)NNc1c2ccccc2nc2ccccc12 5249812 WVWJCOMZDCLNBN-UHFFFAOYSA-N 328.375 3.727 50 40 EHGB CCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc1 20248689 DFLKVJJQDCXTOU-ITRAFESCSA-N 328.437 3.716 50 40 EHGB COc1cccc(/C=N/NC(=O)/C=C/c2ccc(Cl)cc2)c1OC 409055784 PYXOMQOADJUDDO-JOESBUEISA-N 344.798 3.521 50 40 EHGB C=CCOC(=O)C1=C(C)NC(SC)=C(C#N)[C@@H]1c1cccs1 95207658 OEJPXQQXGOUZEV-CQSZACIVSA-N 332.450 3.536 50 40 EHGB O=C(N/N=C/c1cccnc1)[C@@H]1CC1(c1ccccc1)c1ccccc1 239264 JPLKGOCVLDOAFE-WEKPXBEKSA-N 341.414 3.538 50 40 EHGB O=C(NN=Cc1ccc(Br)cc1)c1c[nH]c2ccccc12 252679898 STRAHQJOQVBCOK-UHFFFAOYSA-N 342.196 3.694 50 40 EHGB CCc1ccccc1N1C(S)=C(C#N)C(=O)NC12CCC(C)CC2 19810082 KKAPWDWSKVQMKY-UHFFFAOYSA-N 341.480 3.757 50 40 EHGB O=C(N/N=C/c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1 6529058 SPOCCNZJLUVDIL-LICLKQGHSA-N 325.349 3.573 50 40 EHGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(O)cc3)c2C)c1 6333666 DQTFGIZQRWNHTM-LPYMAVHISA-N 347.418 3.872 50 40 EHGB Cc1ccc(NNC(=O)c2cnn(-c3ccccc3)c2C)cc1Cl 30554475 ZAXDXBLVJSDZGZ-UHFFFAOYSA-N 340.814 3.899 50 40 EHGB O=C(CC12CC3CC(CC(C3)C1)C2)N/N=C1\C(O)=Nc2ccccc21 7994877 HBZKCIBTXDUSHG-UHFFFAOYSA-N 337.423 3.715 50 40 EHGB C/C(=N\NC(=O)c1cccc2ccccc12)c1ccc2c(c1)OCCO2 408592665 ZZUJHPADAHQMBT-HYARGMPZSA-N 346.386 3.765 50 40 EHGB COc1ccc(CSCC(=O)N/N=C(\C)c2ccc(F)cc2)cc1 58915570 YREHMDYCNGLZED-DEDYPNTBSA-N 346.427 3.608 50 40 EHGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/C=C/c2ccccc2)cc1 13631769 ADFBDTKQYWZVRO-XJYRWHQTSA-N 335.407 3.710 50 40 EHGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccccc1 208411407 CTDGMRKMDULPHM-WQLSENKSSA-N 327.727 3.794 50 40 EHGB C/C(=N/NC(=O)c1cc(C2CC2)n[nH]1)c1ccc(Cl)c(Cl)c1 5816705 WFSZTMVFRCSDQX-LSCVHKIXSA-N 337.210 3.748 50 40 EHGB C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)CNc2ccc(OC)cc2)C1 12404044 BXQBYUSXWKCGDR-OBAOGOGRSA-N 327.428 3.512 50 40 EHGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(F)cc2)cc1 75017 BXWYWHSTNDTSQS-RVDMUPIBSA-N 339.322 3.515 50 40 EHGB O=C(NNC(=O)c1cccs1)c1ccc(-c2cccc(Cl)c2)o1 569214 DPLGZNXPDFHEAP-UHFFFAOYSA-N 346.795 3.736 50 40 EHGB N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)O)cc1 28449835 LDLBCXHJPZJUQE-MDWZMJQESA-N 326.739 3.584 50 40 EHGB COc1cc(/C=C(\C#N)c2nc(-c3cccs3)no2)ccc1O 8208031 WBKQTTJSKRWDLU-YRNVUSSQSA-N 325.349 3.576 50 40 EHGB CC/C(C)=N\NC(=O)COc1ccc2ccccc2c1Br 4523826 MRNPWEJWUCGPJA-WQRHYEAKSA-N 349.228 3.883 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(O)c1 408889901 KQFOKTLPRUORAI-XYOKQWHBSA-N 328.755 3.600 50 40 EHGB Cc1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)o1 583036 CCHVWPXHVXJWJV-FYJGNVAPSA-N 334.375 3.931 50 40 EHGB O=C(NNc1nc(-c2ccccc2)c2ccccc2n1)c1ccco1 46085368 GQCORVHDCUZRPS-UHFFFAOYSA-N 330.347 3.647 50 40 EHGB COc1cc(C)c(/C=C(\C#N)C(=O)NCc2cccs2)cc1C 555339 VTDNEKMIINXCBC-OQLLNIDSSA-N 326.421 3.597 50 40 EHGB CC(=O)N/N=C/c1ccccc1OCCCOc1c(C)cccc1C 4600150 KOEFYYQZSDJVIN-KGENOOAVSA-N 340.423 3.621 50 40 EHGB N#C/C(=C/c1ccc(F)cc1)C(=O)NCCc1c[nH]c2ccccc12 408953327 PTIAQQHQNMBJQT-WJDWOHSUSA-N 333.366 3.573 50 40 EHGB COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)Cl)c2n1 2564277 MNPYSGVQMUGEFL-UHFFFAOYSA-N 337.713 3.722 50 40 EHGB O=c1c2ccccc2n2c(CCl)nnc2n1C1CCCCCC1 408712766 OYWLCMJCCMXSLS-UHFFFAOYSA-N 330.819 3.678 50 40 EHGB COc1cc(C)c(/C=N/NC(=O)[C@H](C#N)c2ccccc2)cc1C(C)C 409204570 AHOKLKKFSHEJIA-QNDYCBLQSA-N 349.434 3.885 50 40 EHGB CCn1c(C)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c1C 409239487 NBZMJGMQMFCWBU-ZHZULCJRSA-N 335.451 3.781 50 40 EHGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)cc2)cc1 8220751 MJYABRJTQKYWRM-GHRIWEEISA-N 331.375 3.697 50 40 EHGB O=C(Cc1ccccc1)N/N=C/c1ccccc1OCc1ccccc1 62317 WDTDQDQIKGDWFM-XQNSMLJCSA-N 344.414 3.958 50 40 EHGB COc1cc(/C=C(\C#N)C(N)=S)ccc1OCc1ccc(C)cc1 107940507 ZLRQHFNVYQEISO-CXUHLZMHSA-N 338.432 3.776 50 40 EHGB O=C(N/N=C\c1ccc(N2CCCCC2)cc1)c1cccc(F)c1 408857191 NOQTXZBWBFGKSK-STZFKDTASA-N 325.387 3.580 50 40 EHGB COc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1C 409224556 IHAOGWXNWQYBFU-RGEXLXHISA-N 334.419 3.660 50 40 EHGB COc1ccc(CCCC(=O)N/N=C/c2ccc(F)cc2)c(C)c1 5960249 MXMWPPHIZMURHJ-FYJGNVAPSA-N 328.387 3.616 50 40 EHGB NNC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 226326875 AHGSOZZVJYTFAH-UHFFFAOYSA-N 345.613 3.829 50 40 EHGB COc1ccc(-n2cccc2/C=N/NC(=O)c2ccc(C)cc2)cc1 106336602 MDQBUWKDBQFDMF-KGENOOAVSA-N 333.391 3.558 50 40 EHGB CCCOc1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1 408720303 YBOZVAIGTYHBMG-DEDYPNTBSA-N 342.464 3.859 50 40 EHGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1O 15222074 LFEORMWWDIPHLR-YBEGLDIGSA-N 336.391 3.953 50 40 EHGB CCc1nnc(N/C=C(/C=O)c2nc3cc(Cl)ccc3o2)s1 5508751 WTECLUXAZXVSOD-VURMDHGXSA-N 334.788 3.547 50 40 EHGB CC(=O)n1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21 235729 URHVUKLTXSLPDQ-KEBDBYFISA-N 339.782 3.719 50 40 EHGB N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)Nc1ccccc1 571787 KGJSSMPKTLUNQY-XYOKQWHBSA-N 343.180 3.700 50 40 EHGB O=C1[C@H](Cl)N(c2cccc([N+](=O)[O-])c2)[C@@H]1c1c[nH]c2ccccc12 1633492 PCQRBGZKNNBCAY-NVXWUHKLSA-N 341.754 3.771 50 40 EHGB Cc1cc(C(=O)N/N=C/c2cccc(F)c2)c(C)n1-c1ccccc1 3251408 QILCGCPCULQLSA-LPYMAVHISA-N 335.382 3.997 50 40 EHGB CC[C@@H](Nc1ccc(OC)cc1)C(=O)N/N=C(/C)c1ccc(C)cc1 4619265 NVGBOKGNNSZOAP-MLPWYGTASA-N 339.439 3.735 50 40 EHGB CCCCCC[C@@H]1/C(=N\NC(=O)c2ccccc2)CC[C@@H]1C(=O)OC 5164549 BATQKXRPAFSNEO-UFWLVTMUSA-N 344.455 3.942 50 40 EHGB CCOc1ccc(C(=O)NNC(=O)Nc2ccc(C)c(Cl)c2)cc1 6784425 AFNFGFNPAYKFPC-UHFFFAOYSA-N 347.802 3.514 50 40 EHGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(C)c1 408761978 ILIYVTOYJRMFLG-VCHYOVAHSA-N 347.212 3.530 50 40 EHGB COc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)c1 409145928 QTTKKOHQCAXKJQ-CIAFOILYSA-N 338.338 3.858 50 40 EHGB CC[C@@H](C)Oc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1 409233941 ISPJKBIEULXBJW-SFDYMUJDSA-N 328.387 3.696 50 40 EHGB C=CCOc1ccc(/C=N/NC(=O)c2cc3ccc(OC)cc3[nH]2)cc1 2432456 WMZHZLGZLXHAJN-FYJGNVAPSA-N 349.390 3.505 50 40 EHGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccco3)o2)cc1[N+](=O)[O-] 408722468 JDQUIFQSXYHIDF-VCHYOVAHSA-N 339.307 3.520 50 40 EHGB O=C(CSS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 147971129 YZUQPRHOZDHUHM-UHFFFAOYSA-N 326.826 3.645 50 40 EHGB CCCCCCCCCCCCS(=O)(=O)C[C@@H](Cl)CO 100244473 SRUUSNFFRRGYOS-HNNXBMFYSA-N 326.930 3.922 50 40 EHGB Cc1ccc([C@@H](Br)S(=O)(=O)c2ccccc2)cc1 1733324 BBWBIZHUBFZAKZ-AWEZNQCLSA-N 325.227 3.862 50 40 EHGB Cc1ccc(C(=O)N/N=C/c2cc(F)c(N3CCCC3)cc2C)cc1 6044324 XOBDDNXXJLZBEE-LPYMAVHISA-N 339.414 3.807 50 40 EHGB N#C/C(=C\c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 6258927 KFAWNJBNOFBKIA-XYOKQWHBSA-N 327.727 3.794 50 40 EHGB COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12 257041 LDCARNSTUSJTMI-UDWIEESQSA-N 349.346 3.521 50 40 EHGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(C)cc1 126318 BSODTUONXVKZFF-VCHYOVAHSA-N 347.212 3.530 50 40 EHGB CCc1ccc(CC)c(-c2csc(N/C(C)=C(/C#N)C(N)=O)n2)c1 105145393 GGQZXCKAODADDE-PTNGSMBKSA-N 340.452 3.630 50 40 EHGB CSc1nc2nc(C(Cl)Cl)nc(-c3ccc(C)cc3)n2n1 101425437 FKNRTBPWJYZMEN-UHFFFAOYSA-N 340.239 3.693 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2cccc(C)c2)cc1OCC 409250504 MOYKPOPSPIFRFS-DEDYPNTBSA-N 326.396 3.556 50 40 EHGB COc1ccc(-c2nc3ccc(NC(=O)CCl)cc3o2)cc1OC 216856817 BTROQYJDLQEHDR-UHFFFAOYSA-N 346.770 3.689 50 40 EHGB CCCC[C@H](C(=O)O)[C@@H](C)CC(=O)NNc1ccccc1Cl 5007625 VNXSSUOECWTELR-RYUDHWBXSA-N 326.824 3.700 50 40 EHGB S=C1NC2=S(N=C(Nc3ccccc3)N2c2ccccc2)S1 18203949 DUFPZFOGCJJBEF-UHFFFAOYSA-N 344.490 3.782 50 40 EHGB O=C/C(=C/Nc1cccc(C(=O)O)c1)c1nc2cc(Cl)ccc2o1 5338058 DKBMQYVTDSCGQA-FLIBITNWSA-N 342.738 3.831 50 40 EHGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OC(C)C 9202110 LHNLOIFTOLWPIZ-FYJGNVAPSA-N 340.423 3.945 50 40 EHGB C/C(=N\NC(=O)[C@@H](C)Sc1ccccc1)c1ccc([N+](=O)[O-])cc1 313934 FJULINUQVYPAJA-RNEAKCBISA-N 343.408 3.616 50 40 EHGB C/C(=N\NC(=O)c1ccc(Br)o1)c1ccc(C)cc1C 993940 ADSDNQJSLYDMRJ-GZTJUZNOSA-N 335.201 3.813 50 40 EHGB Cc1ccc(C(=O)N/N=C/c2cn(C)c3ccccc23)c(Cl)c1 4749509 RCPOEQPYUSZBKX-KEBDBYFISA-N 325.799 3.904 50 40 EHGB N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)N1CCCC1 16438042 IHTNDEMYYRVYOX-XMHGGMMESA-N 332.403 3.795 50 40 EHGB CCn1nc(C)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1C 17067395 XGLKXLXETCEKNA-UKTHLTGXSA-N 328.803 3.719 50 40 EHGB COc1cccc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)c1O 409021930 GBKHOZLWWQOGTQ-DJKKODMXSA-N 344.754 3.564 50 40 EHGB CCCCCCCC(=O)N/N=C/c1cc(Br)ccc1O 2676162 XTHDVEVWHOPQBH-GZTJUZNOSA-N 341.249 3.965 50 40 EHGB CC(=O)CC[C@]1(c2ccccc2)OC(=O)C(C#N)=C1c1ccccc1 1620505 QFVIUGHNVMVRDH-OAQYLSRUSA-N 331.371 3.785 50 40 EHGB CCCCOc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 6264437 LNXDEAITPKRXQG-UHFFFAOYSA-N 346.814 3.594 50 40 EHGB O=C(NNc1ccccc1C(F)(F)F)c1cc2ccccc2oc1=O 32999884 ZPQMCMXPDKJTOE-UHFFFAOYSA-N 348.280 3.569 50 40 EHGB ClCCN(CCCl)c1ccc(/C=N\N=C/c2ccncc2)cc1 104341927 IDJFBYDCPMBPTE-JZTLMNBPSA-N 349.265 3.819 50 40 EHGB CSc1ccc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)cc1 566285 PDUVMQNIBWATCY-VXLYETTFSA-N 348.855 3.899 50 40 EHGB Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1ccccc1F 107896914 IXQAISLCVSGHDA-WSDLNYQXSA-N 343.377 3.637 50 40 EHGB Cc1ccc(C)c(NC(=O)CCC(=O)N/N=C2/CCC[C@@H](C)C2)c1 12403984 AICODQKDWKVNLT-QIAIEURZSA-N 329.444 3.704 50 40 EHGB CCOC(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 1022176 NCKVLYMKPGMKGL-YBFXNURJSA-N 332.787 3.999 50 40 EHGB Cc1ccccc1-n1cccc1/C=N\NC(=O)Cc1ccc(F)cc1 409235113 NVMJEHIWQKYNMV-HMAPJEAMSA-N 335.382 3.618 50 40 EHGB O=C(CCl)N(Cc1cccnc1)c1cccc(C(F)(F)F)c1 199755363 VCOUEVHOTIWRND-UHFFFAOYSA-N 328.721 3.872 50 40 EHGB ClC[C@H](Cl)COC[C@H]1CO[C@H](c2ccc(Cl)cc2)O1 230320883 CKAGUBYMMHRUIZ-AVGNSLFASA-N 325.619 3.617 50 40 EHGB CC(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 13922940 NSMLNSFRWIQLBS-RGVLZGJSSA-N 343.814 3.552 50 40 EHGB C=CCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc1 408719159 IGSSMKQROKJXEI-AUQXIXNCSA-N 340.448 3.882 50 40 EHGB C/C(=N\NC(=O)c1ccccc1OCc1ccc(F)cc1)C1CC1 6312502 TWPFQVUNPFWYMN-FYJGNVAPSA-N 326.371 3.920 50 40 EHGB Cc1ccccc1/C=C/C(=O)NNc1c(F)c(F)c(F)c(F)c1F 15975451 UEKUKQXVKFTIOW-VOTSOKGWSA-N 342.267 3.847 50 40 EHGB O=C(NNc1cccc(Cl)c1)c1c[nH]c(=S)n1-c1ccccc1 32901685 VHGXFCGWBRDHAY-UHFFFAOYSA-N 344.827 3.945 50 40 EHGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccc(Cl)cc1 59459674 FEHVMURBMHOWNW-UFWORHAWSA-N 347.205 3.713 50 40 EHGB Cc1ccc(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)s1 11183402 YOCVAWVBPMNEMB-FMIVXFBMSA-N 334.408 3.632 50 40 EHGB O=C(N/N=C\c1cccn1-c1ccc(Cl)cc1)c1cccs1 408807148 CFVCBHYWAAQDCQ-WQRHYEAKSA-N 329.812 3.956 50 40 EHGB Cc1ccccc1C(=O)NNC(=O)c1cc(C(C)C)nc2ccccc12 15812672 HDQFJAFOEAMIEX-UHFFFAOYSA-N 347.418 3.741 50 40 EHGB NNC(=O)/C=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 226258078 GQPCNGKPFBNTKF-DUXPYHPUSA-N 331.586 3.910 50 40 EHGB CC[C@@H](Nc1ccc(OC)cc1)C(=O)N/N=C/c1cccc(Cl)c1 369960 FDLFLEDOVHMFIH-XNHPLOEXSA-N 345.830 3.689 50 40 EHGB O=C(NC(=O)C(Cl)Cl)OC1c2ccccc2-c2ccccc21 1722517 HOLGIBMMTDDLMQ-UHFFFAOYSA-N 336.174 3.813 50 40 EHGB CN(C)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 3902152 MOGDYCZCSNYIAS-UKTHLTGXSA-N 333.351 3.601 50 40 EHGB O=S(=O)(N[C@H](CCCl)c1ccccc1)c1ccc(Cl)cc1 4200389 DNBBOVLOJJLSAW-OAHLLOKOSA-N 344.263 3.989 50 40 EHGB COc1ccc(/C(C)=N/NC(=O)CSCCc2ccccc2)cc1 408726853 NIXJMXLXKMJSAU-HMMYKYKNSA-N 342.464 3.511 50 40 EHGB CC1(C(=O)Nc2ccc(OCCBr)cc2)CCCC1 225596556 PZNICAFRBLKOMK-UHFFFAOYSA-N 326.234 3.979 50 40 EHGB O=C(N/N=C/c1ccco1)c1cccc(N2Cc3ccccc3C2)c1 52739 LUYKEUCRTACKLG-CIAFOILYSA-N 331.375 3.564 50 40 EHGB CCc1cccc2c(C=C(C#N)C#N)cn(CC(=O)NC3CCCC3)c12 798082 PVBKLPKWPLGYRO-UHFFFAOYSA-N 346.434 3.693 50 40 EHGB CCCCC(=O)N/N=C/c1cc(OCC)c(OCC)cc1OCC 1704805 XLGZVQLEWISRFV-CPNJWEJPSA-N 336.432 3.523 50 40 EHGB Cc1ccc(NCC(=O)N/N=C/c2cccn2-c2ccccc2)cc1C 59301931 QADRJLXAKBFBHQ-OEAKJJBVSA-N 346.434 3.656 50 40 EHGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Cl)OCO3)cc1 1095522 HZHXDNHLHLTJLZ-AWNIVKPZSA-N 340.766 3.923 50 40 EHGB CC(C)CC(=O)NN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 24519980 XVDBOASLGNTWGY-HXUWFJFHSA-N 349.434 3.759 50 40 EHGB COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OC 408880408 HQVQMQMGHPBYMC-MDWZMJQESA-N 342.782 3.903 50 40 EHGB N#C/C(=C/c1cc(Cl)c(O)c(Cl)c1)C(=O)NC1CCCC1 409194753 QUYNOFJNKIEJMU-YHYXMXQVSA-N 325.195 3.665 50 40 EHGB N#C/C(=C\c1ccccc1OC(F)F)c1nnc2n1CCCCC2 5444547 YXGNQIWFFRWNJY-JLHYYAGUSA-N 330.338 3.670 50 40 EHGB COc1cccc(NC(=O)/C(C#N)=C/c2c[nH]c(-c3ccccc3)n2)c1 96298502 VEWURQXXNMNJIS-XNTDXEJSSA-N 344.374 3.631 50 40 EHGB C[C@@](F)(CBr)c1ccc(I)cc1 91355890 HDQIQCMEONAWRQ-SECBINFHSA-N 342.977 3.871 50 40 EHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccn3)c2C)cc1C 6332856 SADUXPANPSKZMZ-YDZHTSKRSA-N 346.434 3.870 50 40 EHGB O=C(CCl)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1O 51330555 FDICSUMKBKNRSF-OAHLLOKOSA-N 349.217 3.962 50 40 EHGB Cc1ccccc1OCC(=O)N/N=C/c1cc(C(C)(C)C)ccc1O 135171 SXXNIQCBWCJXMT-CIAFOILYSA-N 340.423 3.527 50 40 EHGB N#CC1=C(N)OC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccccc1 477585 UAOADYASEAREGY-UGSOOPFHSA-N 348.427 3.957 50 40 EHGB COCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)o1 13137505 ADWSLMDIGYEBCT-ACCUITESSA-N 344.798 3.660 50 40 EHGB Cc1cc(/C=C(\C#N)C(N)=O)c(C)n1-c1ccc(Cl)cc1Cl 4106472 CVQGDGMXAUKVGS-WUXMJOGZSA-N 334.206 3.793 50 40 EHGB COc1ccc2nc(NC(=O)[C@H](Br)C(C)C)sc2c1 19803620 BNJYALLNBWGKPZ-LLVKDONJSA-N 343.246 3.663 50 40 EHGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1cccc(Cl)c1 59435409 KVVUZVRNGQXSNI-UFWORHAWSA-N 347.205 3.713 50 40 EHGB COc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 409135906 RAYXHKGHFFTNQJ-BXUJETTOSA-N 328.437 3.635 50 40 EHGB CCc1ccc(CC(=O)N/N=C\c2ccc(N(CC)CC)cc2)cc1 409363226 KJVFBSPEQNDKHU-JWGURIENSA-N 337.467 3.788 50 40 EHGB C/C=C/C=C/C(=O)NNC(=O)c1ccc(OCCCCCC)cc1 32904320 SWZMTNKFWHWALM-ONNLMXTPSA-N 330.428 3.539 50 40 EHGB COc1cc(C(=O)CBr)ccc1OCc1ccccc1 39274847 RNOVVVKWCOIIEH-UHFFFAOYSA-N 335.197 3.852 50 40 EHGB in-vitro N#C/C(=C/c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(Cl)cc1 33470833 CQFXHJDOCRJNKT-DHDCSXOGSA-N 348.767 3.587 50 40 EHGB COc1ccc(Cl)cc1/C=C\C=N/NC(=O)c1cccc(C)c1O 5048575 SUGXKZVTAOBFRX-MOTZZHPWSA-N 344.798 3.792 50 40 EHGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OC 6537682 SMWKZJQUEJCXSP-BQVPINLBSA-N 342.439 3.696 50 40 EHGB C/C(=N\NC(=O)c1cccc(Br)c1)[C@H]1C[C@H]2CC[C@H]1C2 105395110 CXZXCGNXJUJTER-YCJFGYLZSA-N 335.245 3.991 50 40 EHGB CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OC)cc2c1 409190239 QKRYPNVPVMGWAE-NDENLUEZSA-N 338.363 3.604 50 40 EHGB COc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)c(OC)c1 211473362 JLASPHLQKOBXQA-YBEGLDIGSA-N 336.391 3.866 50 40 EHGB COc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 567303 HCTBNWRRMKJLTA-MKFNJMOCSA-N 348.855 3.980 50 40 EHGB Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 4592493 IOAOLRBLVMCKQI-INIZCTEOSA-N 346.365 3.742 50 40 EHGB FC(F)COc1ccc(CBr)c(Br)c1 1776010730 KQNYXOZOKHRWBD-UHFFFAOYSA-N 329.966 3.988 50 40 EHGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc([N+](=O)[O-])cc1 100194974 WGCSUWYYVIMOEV-AUWJEWJLSA-N 343.346 3.603 50 40 EHGB N#CC1=C(N)Nc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(Cl)cc1 125668 MTAPPSILWFROPO-OAHLLOKOSA-N 349.777 3.698 50 40 EHGB CCCCOc1ccc(/C=N/NC(=O)Cc2cccs2)cc1OC 6651704 FAZAQIUQBJOERI-CPNJWEJPSA-N 346.452 3.628 50 40 EHGB COc1ccc2[nH]cc(C(=O)/C(C#N)=C\c3ccccc3OC)c2c1 58210928 APCKAPVMAFMCDR-ZROIWOOFSA-N 332.359 3.975 50 40 EHGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 408745011 OSLDNIFOBFPPTQ-ATVHPVEESA-N 346.386 3.561 50 40 EHGB COc1cccc(N2C=C(C#N)S(=O)(=O)c3ccc(Cl)cc32)c1 48987423 OGCBBUVJRRVLNN-UHFFFAOYSA-N 346.795 3.639 50 40 EHGB COC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1ccc(C)s1 4772599 JGMOZSDYLFJFIL-MRXNPFEDSA-N 340.404 3.811 50 40 EHGB C[C@@H](CN(C)C)C(/C=C/c1ccccc1)=N\NC(=O)c1ccccc1 5759803 MJYLOPMYSPGXGO-MAAMZWDHSA-N 335.451 3.684 50 40 EHGB CSc1ccc(/C=N/NC(=O)CSc2ccc(C)cc2)cc1 8515690 ZQNLTRKQRDMROY-WOJGMQOQSA-N 330.478 3.959 50 40 EHGB CC(C)(Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(F)cc1 16740895 YXXCSJOSJSLSSQ-RGVLZGJSSA-N 334.778 3.787 50 40 EHGB Cc1c(Cl)cccc1N/C=C(\C#N)S(=O)(=O)c1ccccc1 44842287 RSLVWQUMUSMDLP-SDNWHVSQSA-N 332.812 3.899 50 40 EHGB O=C(CCCC[C@H]1CCSS1)Nc1ccc2nc[nH]c(=O)c2c1 58285619 UMXAFDFDTMSYAV-LBPRGKRZSA-N 349.481 3.576 50 40 EHGB biogenic C[C@@]12CC[C@@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CCC[C@]2(O)C#N 104212123 XHDBQDNRWFJOBU-UOZQCWKMSA-N 329.484 3.955 50 40 EHGB CCc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1 255001330 ZZIZBSAKMCHKBC-SILNSSARSA-N 345.446 3.505 50 40 EHGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(-c3ccccc3C#N)o2)n1 409375993 RTWNZVZDAHDVEV-MHWRWJLKSA-N 342.358 3.879 50 40 EHGB NC(=O)NN=C1[C@H]2CCC[C@H]1[C@H](c1ccccc1)N[C@@H]2c1ccccc1 106710022 BNJXNKFPPJGIBR-CADBVGFASA-N 348.450 3.513 50 40 EHGB Cc1ccc(SCCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 409122964 CSDVUQVBYFILAD-LDADJPATSA-N 343.408 3.536 50 40 EHGB CC(C)(C)OC(=O)NN[C@@H](c1ccc(N)cc1)c1ccc(F)cc1 228971702 OEXKABWGQZWWDI-MRXNPFEDSA-N 331.391 3.527 50 40 EHGB CCCC[C@@H](C(=O)O)[C@H](C)CC(=O)NNc1ccccc1Cl 5007630 VNXSSUOECWTELR-VXGBXAGGSA-N 326.824 3.700 50 40 EHGB COc1ccc(C2=CC(=C(C#N)C#N)c3ccccc3O2)cc1OC 115167 AGQQZJAGYOMLSY-UHFFFAOYSA-N 330.343 3.938 50 40 EHGB COc1ccc(C2=NN(C(=O)CCl)[C@@H](c3ccc(C)cc3)C2)cc1 519915 WYVCUQSAECJNLO-GOSISDBHSA-N 342.826 3.920 50 40 EHGB COc1ccc(/C=N/NC(=O)C2c3ccccc3-c3ccccc32)cc1 223631 ZUXBGUNOIFBHPX-OEAKJJBVSA-N 342.398 3.958 50 40 EHGB Cc1n[nH]c(C)c1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1Cl 40114071 WLZPFSVKKWQIKL-BJMVGYQFSA-N 335.194 3.879 50 40 EHGB O=C(N/N=C/c1cccc(Cl)c1)c1ccccc1Br 58949 ZOEDQJOFLWJQDJ-RQZCQDPDSA-N 337.604 3.866 50 40 EHGB CC(C)CCOc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)cc1 286027 NOTFRMXNIRTUME-UHFFFAOYSA-N 349.434 3.930 50 40 EHGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc([N+](=O)[O-])c1O 107625751 LPTOUDKHKLHMHT-GHXNOFRVSA-N 328.299 3.902 50 40 EHGB COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1SC 96400806 VGJCOIAOYGFOLE-GXDHUFHOSA-N 340.452 3.799 50 40 EHGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1sccc1C 408922688 FZTLOYWGXHGJSX-YRNVUSSQSA-N 343.364 3.519 50 40 EHGB CN(C)NC(=O)Nc1ccc2sc3nc4ccccc4nc3c2c1 408996802 FBMNGFLSPABBNQ-UHFFFAOYSA-N 337.408 3.596 50 40 EHGB CCCCCOc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2)cc1 60809777 FXNSMCLRWORAPV-PXLXIMEGSA-N 335.407 3.891 50 40 EHGB O=C(N/N=C/c1ccc(F)s1)c1ccc(OC2CCCC2)cc1 252479562 BHPJDSPXYGYPRI-YBFXNURJSA-N 332.400 3.973 50 40 EHGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OC 487293 LFTXUAKFNXAPMN-YBFXNURJSA-N 332.787 3.511 50 40 EHGB O=[N+]([O-])c1ccc(/C(CBr)=N\N2CCCCCC2)cc1 16954890 YAGSSEDIGLAZGT-PEZBUJJGSA-N 340.221 3.570 50 40 EHGB N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 337261 ZRESSQZKQPGDKY-IZZDOVSWSA-N 345.717 3.933 50 40 EHGB Cc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 381236 KAQRAUFWZFFTLS-XLTHYULKSA-N 330.815 3.874 50 40 EHGB O=C(CCCC[C@@H]1CCSS1)NCc1ccc2c(c1)OCO2 27337255 VNUQWUUALQODGY-CYBMUJFWSA-N 339.482 3.746 50 40 EHGB biogenic CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cccc([N+](=O)[O-])c1 100195333 AXYXAQVGBGAEQV-AUWJEWJLSA-N 343.346 3.603 50 40 EHGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)o2)cc1 408847695 OAWGGJBJRYCUSI-SSZFMOIBSA-N 335.407 3.988 50 40 EHGB N#C/C(=C\c1c(OCc2ccccc2F)ccc2ccccc12)C(N)=O 408899814 QVRRIOVBRSCEIY-LFIBNONCSA-N 346.361 3.950 50 40 EHGB O=C(O)[C@H](c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 1717448 XELYXYFMIJHSCR-IBGZPJMESA-N 336.327 3.826 50 40 EHGB CC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccccc1C 538560 LCWFGQXQIBCKSX-IBGZPJMESA-N 330.387 3.803 50 40 EHGB O=C(Cc1c[nH]c2ccccc12)N/N=C/c1c(O)ccc2ccccc12 11566034 LIUQFYUUGOIERI-YDZHTSKRSA-N 343.386 3.720 50 40 EHGB Cc1ccc(-c2ccc([C@@H]3C(C#N)=C(N)Oc4n[nH]c(C)c43)o2)cc1 9324719 XPFYZPQFFRMZKY-KRWDZBQOSA-N 332.363 3.505 50 40 EHGB Cc1c(C(=O)NN)c2ccccc2n1Cc1ccc2ccccc2c1 216947806 YXXBNYXYKRZDQI-UHFFFAOYSA-N 329.403 3.755 50 40 EHGB COc1ccc(CNC(=O)/C(C#N)=C\c2cccc(Cl)c2)cc1 193794149 GDWZMECZGRCLGW-DHDCSXOGSA-N 326.783 3.572 50 40 EHGB O=C(Nc1ccccc1C(=O)N/N=C/c1cccs1)c1ccccc1 58865 XHMSMCCVDUNNQM-DEDYPNTBSA-N 349.415 3.764 50 40 EHGB O=C(NN=C1CCC(c2ccccc2)CC1)c1ccc2c(c1)OCO2 4144199 PJIAKNHXPRPZFF-UHFFFAOYSA-N 336.391 3.859 50 40 EHGB COc1cc(NC(=O)[C@@H](Cl)c2ccccc2)cc(OC)c1OC 4548688 COKXYUHAGYJGHV-HNNXBMFYSA-N 335.787 3.631 50 40 EHGB CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(OC)cc2)cc1 216064816 LBFVAFMOMBEQSC-XSFVSMFZSA-N 326.396 3.638 50 40 EHGB CCCCc1ccc(/C=N\NC(=O)COc2ccc(F)cc2)s1 5707987 XRANGEXIIRFZAI-ODLFYWEKSA-N 334.416 3.759 50 40 EHGB CCCC[C@@H](/C=N\NC(=O)C(=O)N/N=C\[C@H](CC)CCCC)CC 17314682 WSYPLYFUPPXGPJ-ZFCAXJDFSA-N 338.496 3.623 50 40 EHGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 43346 HDQUBYJXUBOIPW-XDHOZWIPSA-N 325.368 3.656 50 40 EHGB O=C(CSSCC(=O)Nc1ccccc1)Nc1ccccc1 1615896 NDAWAPCWGLWEGN-UHFFFAOYSA-N 332.450 3.645 50 40 EHGB CC(C)(C)c1ccc(/C=N/NC(=O)CNc2ccccc2F)cc1 3324731 NDRVHJLTORSLBQ-WSDLNYQXSA-N 327.403 3.685 50 40 EHGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc([N+](=O)[O-])c1O 409393294 PSDRZGXJIHTSGZ-MLPAPPSSSA-N 328.299 3.902 50 40 EHGB COc1ccc(/C=N/NC(=O)C23[C@@H]4CCC[C@@H]2C43c2ccccc2)cc1 229823193 KPWKKTIPZJAQLH-OLQNFMITSA-N 346.430 3.513 50 40 EHGB CN(C)C(=O)/C(C#N)=C\c1ccccc1OCc1ccc(Cl)cc1 59334909 XKZSYIMNKIOUBA-WJDWOHSUSA-N 340.810 3.914 50 40 EHGB O=C(Cc1c[nH]c2ccccc12)N/N=C/c1c(F)cccc1Cl 11566030 XTVQSJAPBZVMIC-UFFVCSGVSA-N 329.762 3.653 50 40 EHGB O=C(N/N=C1/C[C@@H]2CC=C[C@H]12)c1ccc(COc2ccccc2)cc1 13146882 RCGUBUHAAHJUQJ-RNWXXWSVSA-N 332.403 3.947 50 40 EHGB C=CCOc1ccc(/C(C)=N/NC(=O)[C@]2(C)CC2(Cl)Cl)cc1 17071342 JROBTOAHFJEHFZ-BKQORJHRSA-N 341.238 3.676 50 40 EHGB NNC(=O)c1ccc2nc(-c3ccc(Cl)c(Cl)c3)sc2c1 73635303 MHADIDBKASMYRM-UHFFFAOYSA-N 338.219 3.874 50 40 EHGB CC/C(=N/NC(=O)CSc1nc2ccccc2o1)c1ccccc1 34106568 AGJIVNDPQRJLQA-ZHZULCJRSA-N 339.420 3.850 50 40 EHGB CCOC(=O)c1c(NC(=O)CCl)sc2c1CC[C@H](CC)C2 369585 FAPRRBJCRDFGQZ-VIFPVBQESA-N 329.849 3.617 50 40 EHGB COc1ccc(Cl)cc1/C=C(\C#N)c1nnc2n1CCCCC2 53102711 KXUHQXCCAXGPGP-UKTHLTGXSA-N 328.803 3.731 50 40 EHGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccccc1F 59117195 JWKPTFNJIHGMSK-XFFZJAGNSA-N 345.717 3.933 50 40 EHGB C/C(=N/NC(=O)[C@H]1COc2cc3ccccc3cc2O1)c1ccccc1 4724273 AMZJSVLIDSDDPF-IDCRMVTHSA-N 346.386 3.520 50 40 EHGB NC(=O)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 409383889 NNRBZAPGNMWBJT-FSJBWODESA-N 342.402 3.845 50 40 EHGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C[C@@H]2C=CC[C@@H]12 226292879 HRBVLWOKJJRCCI-FUENSYDWSA-N 339.222 3.829 50 40 EHGB O=C(NCCBr)Nc1cccc2c1Cc1ccccc1-2 1623509 CRYRTOUAXDGYDO-UHFFFAOYSA-N 331.213 3.774 50 40 EHGB COc1ccccc1[C@H]1CC(=O)NC(SCCC(C)C)=C1C#N 528910 RKEVVMJYFJKIAP-CQSZACIVSA-N 330.453 3.813 50 40 EHGB CCCCCC(/C=N\NC(=O)c1ccc[n+](C)c1)=C\c1ccccc1 31949356 RBLBPBWLECHEIL-WFMHWKGDSA-O 336.459 3.891 50 40 EHGB CC(=O)NN(C(=O)c1ccccc1)c1nc2c(Cl)cccc2s1 95482089 QMXZVUYXWLRUJJ-UHFFFAOYSA-N 345.811 3.648 50 40 EHGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1O 572996 AQSRGDQVVBFZGV-NTUHNPAUSA-N 342.782 3.908 50 40 EHGB C/C(=N\NC(=O)Cc1ccccc1)c1cccc(Br)c1 5222149 OBPPZTCOMQDRMX-LDADJPATSA-N 331.213 3.532 50 40 EHGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)n1-c1ccccc1 7157061 HJQSNDBHZXWQAT-LDADJPATSA-N 345.402 3.911 50 40 EHGB Cc1cc(C)c2c3c(sc2n1)[C@@H](c1ccncc1)C(C#N)=C(N)O3 377196 JOPKDBFEPOUGIG-AWEZNQCLSA-N 334.404 3.526 50 40 EHGB COc1ccc2c(c1)[C@@H](Br)CC[C@H](Br)C2=O 1850215 KIVSZMPDGICDRE-QWRGUYRKSA-N 348.034 3.871 50 40 EHGB O=C(Cl)[C@H]1CC(=O)N(c2ccc3oc(-c4ccccc4)nc3c2)C1 57327035 JOEMEWWFWILEGC-LBPRGKRZSA-N 340.766 3.613 50 40 EHGB CCc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)c(OC)c2)cc1 3283226 WCYQFWFEGITFBI-LFIBNONCSA-N 336.391 3.812 50 40 EHGB O=C(N/N=C\c1ccc(N2CCCC2)cc1)Nc1ccc(F)cc1 408961022 PUXODJFKOVIAKV-MOSHPQCFSA-N 326.375 3.582 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(O)c1 408882330 OQRPLRONUFRAGZ-KPKJPENVSA-N 328.755 3.600 50 40 EHGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(Cl)c(Cl)c1 36223969 CSCQOFQAJFEGLP-OCKHKDLRSA-N 325.170 3.825 50 40 EHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(C)s2)cc1 6428533 WYMSIKYNLKQXAJ-GXDHUFHOSA-N 340.404 3.779 50 40 EHGB N#C/C(=C\c1ccc(F)c(Br)c1)C(=O)Nc1ccccn1 13135463 KYDUZYZJQQBRSX-YRNVUSSQSA-N 346.159 3.529 50 40 EHGB CCCCCC(=O)Nc1ccc(C(=O)N/N=C/c2ccco2)cc1 3083569 WTBOWBSUMFIOSF-CPNJWEJPSA-N 327.384 3.562 50 40 EHGB COc1cccc(/C=N/NC(=O)[C@H](C)Nc2ccc3ccccc3c2)c1 31105 YGHDTSNVYSUUCF-WXUSHSQQSA-N 347.418 3.799 50 40 EHGB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N/N=C/c1ccc(F)cc1 1449718 KBKMPACEUJAAPG-QDBSGRMGSA-N 334.778 3.705 50 40 EHGB COC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1ccc(C)s1 4772598 JGMOZSDYLFJFIL-INIZCTEOSA-N 340.404 3.811 50 40 EHGB O=C(CC12CC3CC(CC(C3)C1)C2)N/N=C/c1ccccc1[N+](=O)[O-] 6675393 QKLXZQONFBDYGI-UDWIEESQSA-N 341.411 3.651 50 40 EHGB Cc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)cn1 30802990 KJBLHQVFRNBCNF-QRVIBDJDSA-N 345.402 3.733 50 40 EHGB O=C(N/N=C/c1cccc(F)c1)c1cc2cc([N+](=O)[O-])ccc2s1 33725982 XNJYIKDZYNMZMN-GIJQJNRQSA-N 343.339 3.713 50 40 EHGB Cc1ccc(C)c(OCC(=O)N/N=C/C2=CC[C@@H]3C[C@@H]2C3(C)C)c1 102415228 JRHHNXRSYVBZFO-UESXIHFLSA-N 326.440 3.777 50 40 EHGB O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1ccccc1Cl 409097110 MZHLDGMODJRSOW-CIAFOILYSA-N 345.805 3.843 50 40 EHGB CCn1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1 373976 GTFIMZHWGJRGFT-KPKJPENVSA-N 348.328 3.776 50 40 EHGB CC(C)Cc1nc(NC(=O)CCCC[C@H]2CCSS2)n[nH]1 79501441 LZVPPJABMLYFFC-NSHDSACASA-N 328.507 3.656 50 40 EHGB N#C/C(=C/c1cc(Br)c(Sc2ccccc2)o1)C(N)=O 408862392 FOLPSPPKDSOIMZ-TWGQIWQCSA-N 349.209 3.586 50 40 EHGB COc1ccc(CCCC(=O)N/N=C/c2c[nH]c3ccccc23)c(C)c1 408909905 IWGNNXZGNFXRBU-OEAKJJBVSA-N 349.434 3.958 50 40 EHGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccco3)cc2)cc1 262998 XWNMVTHHBQQWSE-FYJGNVAPSA-N 347.374 3.604 50 40 EHGB COc1cc(OC)c([N+](=O)[O-])cc1/C=C(\C#N)c1cccc(F)c1 1062664 QSHZGVOYBPHSNS-AWNIVKPZSA-N 328.299 3.815 50 40 EHGB Cc1cc(/C=C(\C#N)C(N)=O)c(C)n1-c1cc(Cl)cc(Cl)c1 3255641 RHPVKDKIJDOUHE-UUILKARUSA-N 334.206 3.793 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c(O)c1 4132453 VJVGIHUEYCNTQM-FYJGNVAPSA-N 340.423 3.852 50 40 EHGB COc1ccccc1C(=O)N/N=C/c1ccc(-c2ccccc2C#N)o1 6928236 KLVSFJSHJGADBH-LPYMAVHISA-N 345.358 3.591 50 40 EHGB BrCc1ccc(-c2ccc(CBr)cn2)nc1 100241040 OESAKGGTMNBXLT-UHFFFAOYSA-N 342.034 3.933 50 40 EHGB Cn1c(SCCCCl)nnc1-c1ccc(Cl)cc1[N+](=O)[O-] 228926114 YGLSVJZTFINUNO-UHFFFAOYSA-N 347.227 3.765 50 40 EHGB N#CCC(=O)N/N=C/c1ccccc1OCc1cccc2ccccc12 578777 WEIFKYQATRVPSF-OEAKJJBVSA-N 343.386 3.783 50 40 EHGB CCCCCC[C@H]1/C(=N\NC(=O)c2ccccc2)CC[C@H]1C(=O)OC 5164545 BATQKXRPAFSNEO-UWSJRVABSA-N 344.455 3.942 50 40 EHGB N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)NCCc1ccccc1 5505919 CJAZPWZZDYSDIL-FOWTUZBSSA-N 342.345 3.554 50 40 EHGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(Cl)s1 6221791 OPVAVYANHGJIMP-FRKPEAEDSA-N 329.208 3.584 50 40 EHGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)o1 39127442 VKWUFSIRBJUXGW-QBFSEMIESA-N 327.359 3.811 50 40 EHGB Cc1n[nH]c(C)c1/C=C(\C#N)C(=O)Nc1ccc(SC(F)F)cc1 40114068 SMSKIGPTYHDVJI-YRNVUSSQSA-N 348.378 3.887 50 40 EHGB CN1C(N)=C(C#N)[C@H](c2cccc3ccccc23)C2=C1CCCC2=O 409146107 JJTYLNFPSGFJML-IBGZPJMESA-N 329.403 3.570 50 40 EHGB COc1ccc(C(=O)N/N=C(\C)c2ccc(Br)cc2)cc1 4602512 ZVDODKPEJBFXGU-WOJGMQOQSA-N 347.212 3.612 50 40 EHGB N#C/C(=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc([N+](=O)[O-])cc1 409218675 JRNDOURISBANOW-WZUFQYTHSA-N 345.698 3.926 50 40 EHGB CCN(CC)c1ccc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc1 408718812 LJJABYSINBSDSK-ZLDDVUBZSA-N 327.472 3.809 50 40 EHGB Cn1cc(Cl)c(C(=O)NN=C2CCC(c3ccccc3)CC2)n1 5943407 UCUZDRHLDXPYBU-UHFFFAOYSA-N 330.819 3.517 50 40 EHGB COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 15220170 KHENUBKHNJWLOD-UVTDQMKNSA-N 340.766 3.672 50 40 EHGB C[C@@H](Br)C(=O)Nc1ccc(Br)c(Cl)c1 152383 CBEUFZMWVYJTDI-RXMQYKEDSA-N 341.430 3.824 50 40 EHGB O=C(NNC(=O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 568818 HGKJOKIOINNOGK-UHFFFAOYSA-N 343.597 3.722 50 40 EHGB COc1ccccc1[C@@H]1CC(=O)NC(SCCC(C)C)=C1C#N 528911 RKEVVMJYFJKIAP-AWEZNQCLSA-N 330.453 3.813 50 40 EHGB COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1 28617338 LYXPWHRZBYEOGI-BOPFTXTBSA-N 334.375 3.636 50 40 EHGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Br)o2)cc1 4723668 KBRDRANHTAYJQF-NTMALXAHSA-N 347.168 3.596 50 40 EHGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OC)c1OC 409064138 BSRQOHFLVRISQT-SFQUDFHCSA-N 348.402 3.978 50 40 EHGB O=C(NNC(=O)c1cc(Cl)ccc1Cl)Nc1ccc(F)cc1 40161262 OYVHHJYFZSRQEA-UHFFFAOYSA-N 342.157 3.599 50 40 EHGB Cc1occc1C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 228147 ZUOGWZCLQRDDOA-FYJGNVAPSA-N 334.375 3.931 50 40 EHGB CCn1c2ccccc2c2cc(/C=N/NC(=O)c3cccnc3)ccc21 231119 JTISLKROXMZWIJ-YDZHTSKRSA-N 342.402 3.973 50 40 EHGB C/C(=N\NC(=O)Nc1ccc(Cl)cc1)c1cnc2ccccc2n1 16137014 ISQLEAMWXODXRA-SSDVNMTOSA-N 339.786 3.829 50 40 EHGB CC(C)(C)c1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 35145095 ZUNAKIKEICWLRB-MOSHPQCFSA-N 339.395 3.585 50 40 EHGB Cc1ccc(/C=N\NC(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 107569585 MAHLUHUVCPNFPZ-NDENLUEZSA-N 333.347 3.820 50 40 EHGB Cc1cc(/C=C(/C#N)C(N)=O)c(C)n1-c1cccc(C(F)(F)F)c1 211346805 BMWBNTSANBEWBD-QPEQYQDCSA-N 333.313 3.505 50 40 EHGB Cc1ccccc1-n1nc(C(=O)NN)cc1-c1ccc(C(C)C)cc1 59472505 MCRLPKIEWHUBOZ-UHFFFAOYSA-N 334.423 3.575 50 40 EHGB COc1cc(OC)c(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(OC)c1 50861553 CQNDPYNCOAGSNJ-JYRVWZFOSA-N 349.390 3.961 50 40 EHGB C/C(=N\NC(=O)Cc1nc(-c2ccccc2)cs1)c1cccs1 7766101 SLNFGUQVENBLTM-XDHOZWIPSA-N 341.461 3.955 50 40 EHGB O=C(c1cccc(F)c1Cl)[C@H](Br)CBr 306449940 YSOGWVIRJCTVIM-ZCFIWIBFSA-N 344.405 3.820 50 40 EHGB COc1cc(Br)c(Br)cc1C(=O)Cl 45957504 DBUOHHIDGCDADM-UHFFFAOYSA-N 328.387 3.599 50 40 EHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccn3)c2C)cc1 6332422 QNADZXJIDSOEHJ-LPYMAVHISA-N 332.407 3.561 50 40 EHGB CCN(CC)c1ccc(C(=O)NNC(=O)CCC2CCCCC2)cc1 6507652 LDBSYRNBRVILTG-UHFFFAOYSA-N 345.487 3.654 50 40 EHGB Cc1cc(Cl)ccc1OCCCC(=O)N/N=C1/C[C@@H]2C=CC[C@@H]12 6270174 MBBDAZBEWAXJNN-CTKJFBEOSA-N 332.831 3.876 50 40 EHGB CN1CC[C@@]2(C)C[C@@](Br)(Cc3ccccc32)[C@H]1Cl 104226298 GMHKBKZJSRXHRB-KKUMJFAQSA-N 328.681 3.925 50 40 EHGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(O)c(Cl)c1)c1ccccc1 67005896 ABOXIOYAGJYBAK-ZENNRRHLSA-N 326.783 3.830 50 40 EHGB Cc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1Br 408865577 BHULJWDQAWUQBJ-XDHOZWIPSA-N 345.240 3.840 50 40 EHGB CCOc1ccccc1/C=N/NC(=O)c1cc2cccc(OC)c2o1 408964460 RLPBRGVAQRLMSW-UDWIEESQSA-N 338.363 3.604 50 40 EHGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)OCC)cc2)o1 500724 YWXUDICLMWSIDS-PTNGSMBKSA-N 339.347 3.593 50 40 EHGB O=C(N/N=C/C=C/c1ccccc1)c1ccc(Br)cc1 2896277 UPRTYQPYNUEAMW-ZTKKEOLVSA-N 329.197 3.878 50 40 EHGB BrCc1ncc(Br)cc1Br 125132880 KUZRDMQBLUVIOW-UHFFFAOYSA-N 329.817 3.502 50 40 EHGB COC(=O)c1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1 40139927 TUWUHLWZGUGXLH-RIYZIHGNSA-N 348.333 3.883 50 40 EHGB O=C(NNc1ccc(Br)cc1)c1ccc(Cl)cc1 6926296 BYVDILATLNJSGZ-UHFFFAOYSA-N 325.593 3.859 50 40 EHGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc(C(C)C)cc3)n2c1 478675 OWIAFSIUDXLUJP-SRZZPIQSSA-N 334.423 3.838 50 40 EHGB Cc1cccc(C)c1OCC(=O)N/N=C/c1c(C)n(C)c2ccccc12 532906 JOESLKOXMVLTFB-WSDLNYQXSA-N 349.434 3.633 50 40 EHGB N#C/C(=C\c1ccccc1Br)c1nnc2n1CCCCC2 4965638 MNWFSXNYJWNNAO-JLHYYAGUSA-N 343.228 3.831 50 40 EHGB O=C(N/N=C/c1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2 5206084 CVNOFBZBDHBXNR-RGVLZGJSSA-N 331.847 3.942 50 40 EHGB COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1 6860689 GQPQYDQOVBNCEJ-MHWRWJLKSA-N 336.391 3.866 50 40 EHGB CS/C(NCc1cccnc1)=C(/C#N)C(=O)c1ccc(Cl)cc1 100381866 TUMMSUQULRPRPI-ICFOKQHNSA-N 343.839 3.806 50 40 EHGB N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(N)=S 408544772 XPMFUUACAJHHDQ-VMPITWQZSA-N 333.756 3.701 50 40 EHGB COc1cccc(/C=N/NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)c1 4381070 QBVRRSXUBBQXFZ-WKXBTIRCSA-N 341.238 3.737 50 40 EHGB COc1ccc(OCCCC(=O)NNc2cccc(Cl)c2)cc1 8037293 XWNPQNGUJXPTKB-UHFFFAOYSA-N 334.803 3.651 50 40 EHGB Cc1cc(Br)cc2sc(NC(=O)[C@@H](C)Cl)nc12 20131879 IVPGUCKUYYQRFB-ZCFIWIBFSA-N 333.638 3.933 50 40 EHGB COc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 242717 LSDVQEYEDQRERF-HSWQHBDASA-N 346.814 3.575 50 40 EHGB Cc1ccc(/C=C/C(=O)N/N=C/c2ccc(Br)cc2)cc1 409058352 OCDAEWYCJWVVEL-GGNBMFIYSA-N 343.224 3.921 50 40 EHGB CC(=O)Oc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1 408760596 BJGDTCQDQDMNGF-ZROIWOOFSA-N 340.766 3.811 50 40 EHGB O=C(Cc1ccccc1)NN(Cc1ccccc1)Cc1ccccc1 1682304 HEGOFOLFUCMTLX-UHFFFAOYSA-N 330.431 3.963 50 40 EHGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc2c(ccc3ccccc32)o1 566585 PWEDNWQJKBYQDJ-VXLYETTFSA-N 349.302 3.851 50 40 EHGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 3205082 RHPYJTUHLSQHLK-UDWIEESQSA-N 349.346 3.521 50 40 EHGB C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)c1ccccc1C 4904292 XQJPZKOIAQSERP-FYJGNVAPSA-N 343.814 3.783 50 40 EHGB N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4953716 VSEIUOVMKZPWKD-XYOKQWHBSA-N 327.727 3.794 50 40 EHGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1OC 5322075 IQZPIAMJIWHFRP-FQEVSTJZSA-N 349.434 3.760 50 40 EHGB C#CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1 408935978 JGGRHESYINOWNC-PTNGSMBKSA-N 336.778 3.898 50 40 EHGB COc1ccc(CBr)cc1-c1nc(CCO)c(C)s1 585120374 KFISUDMJBYUJKC-UHFFFAOYSA-N 342.258 3.557 50 40 EHGB O=C(N/N=C/c1ccc(N2CCCCC2)cc1)Nc1ccc(F)cc1 408850899 FXFPNGBNGCRIGT-KGENOOAVSA-N 340.402 3.972 50 40 EHGB Cc1ccc(N2C=C(C#N)S(=O)(=O)c3ccccc32)cc1Cl 38488010 ATEPPGDEJWRTIN-UHFFFAOYSA-N 330.796 3.939 50 40 EHGB O=C(NNc1c2ccccc2nc2ccccc12)c1ccccc1O 95482919 NQYVRHPJMXWFED-UHFFFAOYSA-N 329.359 3.851 50 40 EHGB aggregator CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccncc1 573302 RGYJELVGWBFZKQ-LPYMAVHISA-N 333.391 3.786 50 40 EHGB N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1 3266466 RKDXDBJCNCIXLV-WQLSENKSSA-N 327.727 3.794 50 40 EHGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccc(C(C)C)cc2)c1 3178070 WNIIXPIQVCCFOQ-CIAFOILYSA-N 337.423 3.516 50 40 EHGB O=C(NNc1ccccc1[N+](=O)[O-])C1(c2ccc(F)cc2)CCCC1 42065007 AEKVNUWLRBKCSG-UHFFFAOYSA-N 343.358 3.689 50 40 EHGB Cc1ccsc1/C=N/NC(=O)Cc1ccc(Br)cc1 4735344 HOWLWTLNHLVXQI-CXUHLZMHSA-N 337.242 3.512 50 40 EHGB Cc1n[nH]c2c1[C@H](c1ccc(-c3ccccc3)cc1)C(C#N)=C(N)O2 4904726 ARBYUFGFBRTZEE-GOSISDBHSA-N 328.375 3.603 50 40 EHGB CCc1ccc(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)cc1 9087910 KTRFZAYAAUIJQI-LPYMAVHISA-N 344.418 3.502 50 40 EHGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc([N+](=O)[O-])c1O 408580536 CEXGEOHYLLTYPH-RIYZIHGNSA-N 340.335 3.772 50 40 EHGB COc1ccc(-n2cccc2/C=N\NC(=O)Nc2ccccc2)cc1 408854352 CZMYFUZNPFFTDQ-ZHZULCJRSA-N 334.379 3.642 50 40 EHGB C#CCOc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1 408937815 PAZRUMBEPRVCPK-GDNBJRDFSA-N 336.778 3.898 50 40 EHGB CCCCc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)s1 2187915 OXEUQRAGYCLBTP-INIZCTEOSA-N 328.437 3.905 50 40 EHGB Cc1cc(Br)cc2sc(NC(=O)[C@H](C)Cl)nc12 20131881 IVPGUCKUYYQRFB-LURJTMIESA-N 333.638 3.933 50 40 EHGB Cc1ccc([C@@H](NC(=O)Nc2ncccn2)C(Cl)Cl)cc1F 3205619 WUEKISLCHNFFSK-LLVKDONJSA-N 343.189 3.591 50 40 EHGB COc1cc(C=C(C#N)C#N)ccc1OCCOc1ccc(C)cc1 4182044 QDGZUUMMTZYTDH-UHFFFAOYSA-N 334.375 3.892 50 40 EHGB COc1cccc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)c1 409133111 ZOSXYEJRNXKKMP-BXUJETTOSA-N 328.437 3.635 50 40 EHGB CCOc1cccc(/C=N/NC(=O)c2ccc(C)cc2Cl)c1O 4815539 PUCSETZEHUNGPZ-VXLYETTFSA-N 332.787 3.517 50 40 EHGB CCN(CC)c1ccc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc1 408567970 RCRRDTZSSSGTLC-PXLXIMEGSA-N 337.467 3.842 50 40 EHGB N#C/C(=C/c1cn(CCOc2ccccc2)c2ccccc12)C(N)=S 408544310 VHOPUQOZPITJKL-QINSGFPZSA-N 347.443 3.913 50 40 EHGB CCn1c(C)cc(/C=C(\C#N)c2nnc(-c3ccccc3)n2C)c1C 96403845 HZRYAICVDXHTFG-LDADJPATSA-N 331.423 3.985 50 40 EHGB CCc1ccc(/C(C)=N/NC(=O)c2ccc(Br)o2)s1 6124898 ZXOVAFSUHIQXCL-OVCLIPMQSA-N 341.230 3.820 50 40 EHGB O=C(N/N=C(\CC(=O)c1cccs1)C(F)(F)F)c1ccccc1 100405284 GSCOFFBNXGGETR-CPNJWEJPSA-N 340.326 3.669 50 40 EHGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(=O)O)cc2)cc1Cl 5730610 UKDFFXJGCJWQAV-RIYZIHGNSA-N 340.766 3.892 50 40 EHGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)o1 16713138 QJGOYRJOAYTISE-DHZHZOJOSA-N 331.169 3.896 50 40 EHGB CCCc1ccc(/C=N/NC(=O)c2ccccc2Br)o1 20761165 XOMOJNSOXRRFSW-LICLKQGHSA-N 335.201 3.759 50 40 EHGB COCCNC(=O)/C(C#N)=C/c1c2ccccc2cc2ccccc12 408806143 AWWKNBHRBOVKHM-GHRIWEEISA-N 330.387 3.663 50 40 EHGB C=C(Cl)CO[P@](=O)(CCl)N(CCCl)CCCl 5426444 USGSFNVFPPOOKG-MRXNPFEDSA-N 328.991 3.925 50 40 EHGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1O 5526642 KVCPLABHBBNIOI-XYOKQWHBSA-N 328.755 3.600 50 40 EHGB Cc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)s1 493337 BKSCILQFSAMIMB-REZTVBANSA-N 343.235 3.892 50 40 EHGB CC(=O)N/N=C/c1cc(Cl)ccc1OCCOc1ccc(C)cc1 4892680 ZKKCSXZAVDNTAR-UDWIEESQSA-N 346.814 3.576 50 40 EHGB CCn1ncc(/C=N\NC(=O)c2sc3ccccc3c2Cl)c1C 17072195 STTBCNRNRAKVKB-LSCVHKIXSA-N 346.843 3.843 50 40 EHGB Cc1ccc(C(=O)N/N=C\c2c(C)nn(-c3ccccc3)c2C)cc1 35773256 SPOCMIDCHQQDRX-BKUYFWCQSA-N 332.407 3.561 50 40 EHGB CN(C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 59334590 JZCGVHPAQJDFFN-YFHOEESVSA-N 345.742 3.503 50 40 EHGB CCCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)OC)o2)cc1 252481424 CLHHXXPNAJYRBM-PTNGSMBKSA-N 339.347 3.593 50 40 EHGB Cc1cc(Cl)ccc1OCCCC(=O)N/N=C1\C[C@H]2C=CC[C@@H]12 17068480 MBBDAZBEWAXJNN-RTOAOTRLSA-N 332.831 3.876 50 40 EHGB CSc1ccc(/C=N/NC(=O)COc2ccc(C)cc2C)cc1 6189770 FKVDAFLJKUCPAN-YBFXNURJSA-N 328.437 3.554 50 40 EHGB NNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 216947973 ANIYGNCFVDQFND-UHFFFAOYSA-N 334.206 3.600 50 40 EHGB CCCc1n[nH]c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 5051870 IWHQWBCPUZNTEK-ZDUSSCGKSA-N 348.328 3.599 50 40 EHGB C[C@H](Cl)CN(C[C@H](C)Cl)C(=O)Oc1ccc([N+](=O)[O-])cc1 1763338 XYXLCCMWUNABBI-UWVGGRQHSA-N 335.187 3.650 50 40 EHGB CCOC(=O)N[C@@H](C(C)C)P(=O)(c1ccccc1)c1ccccc1 3164886 ZMMLROKQSBXLRQ-GOSISDBHSA-N 345.379 3.729 50 40 EHGB CCCOc1ccc(/C=N/NC(=O)Cc2ccc(OCC)cc2)cc1 10475944 WJKGFMVCJLMKBX-RCCKNPSSSA-N 340.423 3.567 50 40 EHGB C/C(=N\NC(=O)CSc1nc2ccccc2o1)C1CCCCC1 59417029 VNVSGXVHKFEMSM-XDHOZWIPSA-N 331.441 3.992 50 40 EHGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OC)cc1 20197806 MIDKWSVTEFROSZ-UDWIEESQSA-N 346.814 3.901 50 40 EHGB CCCCN1C(=O)/C(=C(\C#N)C(=O)Nc2ccccc2)c2ccccc21 145009404 LGNIXTABVBXZKL-HTXNQAPBSA-N 345.402 3.749 50 40 EHGB CN(C)CCCc1cccc(P(c2ccccc2)c2ccccc2)c1 521824653 MKLVILNARJQUKJ-UHFFFAOYSA-N 347.442 3.939 50 40 EHGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccccc1[N+](=O)[O-] 95566 ZUXXXNCSMHZFEI-CAOOACKPSA-N 338.150 3.666 50 40 EHGB CC[C@@H]1CCc2sc(C(=O)N/N=C(\C)c3ccncc3)cc2C1 8525848 OXHKSNUNIRXQMN-HMHKGCENSA-N 327.453 3.812 50 40 EHGB Cc1cccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1 408956100 WBBYIZFQHAVYJP-PDGQHHTCSA-N 329.403 3.742 50 40 EHGB Cc1cccc(OCC(=O)N/N=C\c2cccc3ccccc23)c1C 9195921 MWEAVTFVPWATPR-XKZIYDEJSA-N 332.403 3.986 50 40 EHGB CCCC[C@H](C(=O)NN)N1c2ccc(Cl)cc2C(C)=CC1(C)C 223228433 LDTFMIZHMPYNBL-MRXNPFEDSA-N 335.879 3.891 50 40 EHGB CC[C@H](Nc1ccc(OC)cc1)C(=O)N/N=C/c1cccc(Cl)c1 369955 FDLFLEDOVHMFIH-RONKMWSCSA-N 345.830 3.689 50 40 EHGB COc1ccc(-c2ccc(/C=C(/C#N)C(=O)N3CCCCC3)o2)cc1 13763852 LVISLHBBCIGWOY-SSZFMOIBSA-N 336.391 3.875 50 40 EHGB O=C(NNc1cccc(Cl)c1)c1ccc(N2CCCCCC2)nc1 29820992 NBWQDGBLPADSHL-UHFFFAOYSA-N 344.846 3.872 50 40 EHGB CCOC(=O)/C(C#N)=C1\CCCCC[C@@H]1C(SC)=C(C#N)C#N 59662346 YCJPDEUWPSETJA-MRPLLJTBSA-N 329.425 3.614 50 40 EHGB CCOc1ccc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1 408774272 YUVMSKVMYFJEHD-NHDPSOOVSA-N 336.313 3.868 50 40 EHGB COc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 509122 MTWRESFEARDGSB-FYJGNVAPSA-N 340.423 3.522 50 40 EHGB CCCn1c(SCC(=O)/C(C#N)=C(/C)N)nc2cc(Cl)ccc21 25328084 MBQUMHBMJPJVBR-BENRWUELSA-N 348.859 3.517 50 40 EHGB COc1ccc(-c2ccc(/C=C(\C#N)C(=O)N3CCCCC3)o2)cc1 272184 LVISLHBBCIGWOY-DTQAZKPQSA-N 336.391 3.875 50 40 EHGB CC1=CC[C@H](/C=N/NC(=O)CC[C@@H]2CCCCC23OCCO3)CC1 5163784 OAHAUAFWAVEJIZ-NQNPOAHASA-N 334.460 3.548 50 40 EHGB C/C(=C(/C#N)P(=O)(c1ccccc1)c1ccccc1)N1CCCC1 3308426 YIQHXJCWQFHLJX-LVZFUZTISA-N 336.375 3.851 50 40 EHGB O=C(NNc1nc2c(F)cccc2s1)c1nc2ccccc2s1 429765 UOGYMLDAFVZKLA-UHFFFAOYSA-N 344.396 3.802 50 40 EHGB O=C(CCl)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 61706 ATOSTFXKJVTIGI-UHFFFAOYSA-N 331.730 3.980 50 40 EHGB N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2 5517115 WDZMMBCYFJOCMI-XYOKQWHBSA-N 343.774 3.630 50 40 EHGB COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1C 13856414 YBFQAROZDBECJE-HYARGMPZSA-N 332.403 3.850 50 40 EHGB Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2)C(C#N)=C(N)O3)cc1 51331064 LQMBJBVPPOQPTH-INIZCTEOSA-N 328.375 3.603 50 40 EHGB COc1cc(/C=C(/C#N)C(N)=S)ccc1OCc1ccc(F)cc1 408544678 WOLBEYROADSQPE-ZSOIEALJSA-N 342.395 3.606 50 40 EHGB C[C@@H](COc1ccc(C(C)(C)C)cc1)O[S@@](=O)OCCCl 3875914 YKFRAOGHWKADFJ-LAJNKCICSA-N 334.865 3.602 50 40 EHGB in-vitro O=C1O[C@H]2[C@@H](Cl)C[C@H](Cl)C[C@H]2C=C1c1cccc([N+](=O)[O-])c1 5328153 RWVZVSACKRVLSF-GIFSMMMISA-N 342.178 3.528 50 40 EHGB COC(=O)c1cc(/C=C(\C#N)c2nc(-c3ccccc3C)no2)oc1C 8754178 RGTNVXHCMOKIRU-MDWZMJQESA-N 349.346 3.797 50 40 EHGB O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccccc1Cl 57211636 ZVCFPFQNTIIBBQ-UHFFFAOYSA-N 341.842 3.722 50 40 EHGB C/C(=N\NC(=O)c1cccc(Br)c1)[C@H]1C[C@H]2CC[C@@H]1C2 4646846 CXZXCGNXJUJTER-ZGURGOPLSA-N 335.245 3.991 50 40 EHGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2O)cc1 408742738 BXWOREKDHBXWCD-LCYFTJDESA-N 342.782 3.990 50 40 EHGB CC(C)N1c2ccc(/C=N/NC(=O)CC#N)cc2[C@@H](C)CC1(C)C 223542380 BUUDJYUJJTUBCA-OMBDHMDGSA-N 326.444 3.551 50 40 EHGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc2ccccc12 58625201 RXQRYHBPBXSEOL-DEDYPNTBSA-N 333.347 3.902 50 40 EHGB CCCC(=O)Nc1ccc(C(=O)N/N=C(\C)c2cccs2)cc1 586237 YFKVOUFIOKZFMB-XDHOZWIPSA-N 329.425 3.641 50 40 EHGB CCCCCC[C@@H]1/C(=N/NC(=O)c2ccccc2)CC[C@H]1C(=O)OC 13777421 BATQKXRPAFSNEO-BQKUQICYSA-N 344.455 3.942 50 40 EHGB Cc1ccc(/C(=N\NC(=O)c2cccc(O)c2)c2ccccc2)cc1 4525221 ACERYVOTMDYMAO-XDOYNYLZSA-N 330.387 3.883 50 40 EHGB C/C(CCc1ccccc1)=N\NC(=O)c1c(C)nc2cc(C)ccn12 409013177 LYSDEPQWKXYBOA-PXLXIMEGSA-N 334.423 3.690 50 40 EHGB O=C(N/N=C\c1cc2c(cc1Cl)OCO2)c1cc2ccccc2o1 408851769 FZHJBEBYONUPAD-UWVJOHFNSA-N 342.738 3.579 50 40 EHGB O=C(NNCc1ccc(-c2ccccn2)cc1)OCc1ccccc1 49587235 RYDJHLQNZOLRKT-UHFFFAOYSA-N 333.391 3.680 50 40 EHGB Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2)cc1 5546483 AYWSXEOZSGJNOZ-LJQANCHMSA-N 342.402 3.707 50 40 EHGB Cn1c(=O)n(C)c2cc(/C=C(\C#N)c3nc4ccccc4s3)ccc21 13470586 AOGSVNDXYOENHC-UKTHLTGXSA-N 346.415 3.551 50 40 EHGB N#C/C(=C\c1ccc(N2CCOCC2)o1)c1nc2ccccc2s1 27529798 WRTKXQUOXLSAJU-ACCUITESSA-N 337.404 3.790 50 40 EHGB CCc1ccc(CC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 409362027 FEUWQKYAQDSAPK-HYARGMPZSA-N 332.403 3.801 50 40 EHGB O=C(CCCC[C@H]1CCSS1)NCCc1nc2ccccc2[nH]1 32276508 ZVQPIDALEVGXTC-ZDUSSCGKSA-N 349.525 3.936 50 40 EHGB biogenic Cc1ccc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)c(O)c1 3096412 CTKVNAFZROXFMZ-SRZZPIQSSA-N 340.423 3.662 50 40 EHGB C[C@H](Br)C(=O)Nc1sc2c(c1C#N)[C@@H](C)CCC2 18195248 KVOARZXEXIECCW-YUMQZZPRSA-N 327.247 3.781 50 40 EHGB CCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 2676187 GRRXXFFRXDEKDS-RCCKNPSSSA-N 338.407 3.936 50 40 EHGB O=C(NN=C1CCCC1)c1ccc(CN2CCc3ccccc3C2)cc1 28630318 WXKKTMARRGSXTI-UHFFFAOYSA-N 347.462 3.905 50 40 EHGB Cc1nn(C)c(C)c1C(=O)NNc1c(Cl)cc(Cl)cc1Cl 29517913 BQBMQYIFMBJDDU-UHFFFAOYSA-N 347.633 3.754 50 40 EHGB C/C(=N\NC(=O)C1[C@H]2CCCC[C@@H]12)c1ccc(Br)cc1 4534402 KRDBWWMPMKJBMX-YTMCFHSCSA-N 335.245 3.726 50 40 EHGB CCO[C@]1(c2ccccc2)C[C@@H]1C(=O)N/N=C/[C@H](C)c1ccccc1 105310943 UIBFZWQDCJLLTE-ASDZQUGFSA-N 336.435 3.844 50 40 EHGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(-c2ccccc2)o1 81663 YRAQXIDBJOIFFY-SFHVURJKSA-N 332.359 3.761 50 40 EHGB COc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(C)cc1 368063 TZCBJDYULUEOIS-LPYMAVHISA-N 348.402 3.686 50 40 EHGB O=C(N/N=C/c1ccccn1)[C@H]1CC1(c1ccccc1)c1ccccc1 239262 NCDHKLTZQAFJOU-HSJQUHBMSA-N 341.414 3.538 50 40 EHGB CC(C)c1ccc(/C=N\NC(=O)c2cccc(Cn3cccn3)c2)cc1 32706864 MWXQQVPBMLLVKD-HMAPJEAMSA-N 346.434 3.819 50 40 EHGB Cc1ccc(S(=O)(=O)/C(C#N)=C\C2=Cc3ccccc3OC2)cc1 33248660 BJSSLTWRIWRNHL-WQRHYEAKSA-N 337.400 3.652 50 40 EHGB COc1ccc(CNC(=O)/C(C#N)=C\C(C)=C\c2ccccc2)cc1 73135563 ONTSHKJIMFXTMC-UBSBAQTRSA-N 332.403 3.865 50 40 EHGB COc1cc(/C=C(/C#N)C(N)=S)ccc1OCc1cccc(F)c1 13635752 SIQDPERYQDQGDF-AUWJEWJLSA-N 342.395 3.606 50 40 EHGB C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1 7156791 ORIPNQDEFKNAOG-QGOAFFKASA-N 330.387 3.861 50 40 EHGB NNC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 226322089 YRNKOPHBWLKFOV-UHFFFAOYSA-N 345.613 3.829 50 40 EHGB COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc1 3250868 KWGFEJSDLNRYPU-GZTJUZNOSA-N 334.375 3.636 50 40 EHGB COc1cc(Br)c(/C=C(\C#N)C(=O)C(C)C)cc1OC 44027263 ODMTYPBHXOAACK-VZUCSPMQSA-N 338.201 3.598 50 40 EHGB O=C(N/N=C1/C[C@H]2CC=C[C@@H]12)c1ccc(COc2ccccc2)cc1 36234940 RCGUBUHAAHJUQJ-QFWBMCHESA-N 332.403 3.947 50 40 EHGB CCN1C(=O)/C(=C(\C#N)C(=O)Nc2cc(C)ccc2C)c2ccccc21 409146737 SYWSYHLSGNBDDA-KNTRCKAVSA-N 345.402 3.586 50 40 EHGB O=C(N/N=C/c1cc2cc(Cl)ccc2nc1Cl)c1ccncc1 408728367 KLLRSIFOGLMWLS-AWQFTUOYSA-N 345.189 3.701 50 40 EHGB CCCC[C@H](Br)C(=O)Nc1cc(C)c2c(c1)OCCO2 5298534 KTARSMVHUZSGEG-LBPRGKRZSA-N 342.233 3.658 50 40 EHGB O=C(CSc1cccc2cccnc12)N/N=C/c1ccc(F)cc1 90953 BIOHSFDIXSBKQM-SRZZPIQSSA-N 339.395 3.616 50 40 EHGB O=C(NNC(=O)[C@H]1C[C@@H]2CC[C@@H]1C2)c1sc2ccccc2c1Cl 100335382 LAZRVSMNESJTSW-FOGDFJRCSA-N 348.855 3.752 50 40 EHGB COc1cccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 59472990 SFCJWKJMFNCWCC-ZGXHQARYSA-N 348.855 3.980 50 40 EHGB COc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1 59473169 YCPHBRCONFQDOF-VXLYETTFSA-N 348.855 3.732 50 40 EHGB CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(C)o1 5591970 VAPAQNNFSIMGGR-PTNGSMBKSA-N 347.374 3.911 50 40 EHGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCC 408766681 DUIASGSCEBUFKZ-QPEQYQDCSA-N 336.819 3.569 50 40 EHGB NC(=O)NN=C1[C@H]2CCC[C@@H]1[C@@H](c1ccccc1)N[C@H]2c1ccccc1 43730004 BNJXNKFPPJGIBR-QGFMHUBQSA-N 348.450 3.513 50 40 EHGB C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)CNc2ccc(OCC)cc2)C1 358218 XDWWVBAOSPJCAM-QKDOTCOFSA-N 341.455 3.902 50 40 EHGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Cl)o1 3211087 RORKVXYZRJXRQV-UBKPWBPPSA-N 347.585 3.769 50 40 EHGB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)NC(C#N)=C(Cl)Cl 27562296 AFTMDBUWOXYFQD-SVGQVSJJSA-N 328.026 3.864 50 40 EHGB Cc1ccc(/C=N/NC(=O)COc2ccc(C(F)(F)F)cc2)cc1 1386435 QEFMBJCLLSHZFJ-UFFVCSGVSA-N 336.313 3.543 50 40 EHGB C/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1cccs1 4863755 VFPVAXMPEMYKED-KEBDBYFISA-N 341.358 3.719 50 40 EHGB COc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1OC 89688793 XUJSEEFRFRWZFU-YBEGLDIGSA-N 336.391 3.866 50 40 EHGB CC(C)(C)OC(=O)N1C[C@H](C(F)(F)F)C[C@H]1CBr 952958967 XBLBLVAIYXPQJB-SFYZADRCSA-N 332.160 3.569 50 40 EHGB Cc1cccc2[nH]cc(C(=O)/C(C#N)=C\c3ccc(O)c([N+](=O)[O-])c3)c12 40139881 NBRAQPZUFQULCL-QPEQYQDCSA-N 347.330 3.880 50 40 EHGB O=C(Cn1c(NCCCl)nc2ccccc21)c1ccc(F)cc1 67350867 LWGZBWMTEZHTQW-UHFFFAOYSA-N 331.778 3.709 50 40 EHGB Cc1cc2nc(/C(C#N)=C/c3cccc(OCC(=O)O)c3)[nH]c2cc1C 408607676 UGPBCUREIZBIII-OVCLIPMQSA-N 347.374 3.707 50 40 EHGB CSc1cccc(N2C=C(C#N)S(=O)(=O)c3cc(F)ccc32)c1 38653738 NSZUGEKCLUQYDR-UHFFFAOYSA-N 346.408 3.838 50 40 EHGB Cc1cc(NC(=O)N/N=C\c2ccccc2)ccc1Br 408905116 TXPPKCXKOIYCIR-YVLHZVERSA-N 332.201 3.913 50 40 EHGB CC(C)(C)OC(=O)n1ncc2cc(CBr)c(F)cc21 310026952 VTKORZLCHLPICW-UHFFFAOYSA-N 329.169 3.854 50 40 EHGB Cc1ccc(-c2n/c(=N/C(=O)CCl)sn2-c2ccccc2)cc1 1740816396 CJJUJAIVJDVGMJ-ZPHPHTNESA-N 343.839 3.575 50 40 EHGB CCCOc1ccc(C=NNC(=O)COc2cccc(CC)c2)cc1 11666775 WRYGXUPNGLSKPR-UHFFFAOYSA-N 340.423 3.567 50 40 EHGB COc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(OC)c1OC 50861548 YKWKVIDEBCDFLI-UVTDQMKNSA-N 349.390 3.961 50 40 EHGB COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1 4551327 CSVFDQBNPZFOKM-MHWRWJLKSA-N 336.391 3.866 50 40 EHGB N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)NCCc1ccccc1 5860178 RKHKIFRKFOJUCB-FOWTUZBSSA-N 344.336 3.971 50 40 EHGB CC(C)c1ccc(OCC(=O)N/N=C\c2ccc(Cl)cc2)cc1 32675363 RWQWNBSVVCPBMA-JAIQZWGSSA-N 330.815 3.993 50 40 EHGB COc1ccccc1OCC(=O)N/N=C(/C)c1ccc2ccccc2c1 33673731 YKBMXRQCTXDKEZ-JCMHNJIXSA-N 348.402 3.768 50 40 EHGB O=C(N/N=C/c1c[nH]c2ccccc12)c1cc2cc([N+](=O)[O-])ccc2o1 408966165 NBPWIJVYORHCJH-KEBDBYFISA-N 348.318 3.586 50 40 EHGB COc1cc(C)c(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1OC 78325993 SGGNLECBYCGRFP-ZROIWOOFSA-N 340.354 3.697 50 40 EHGB O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1ccc(F)cc1 13208283 LKLLSUWDSFTPOY-RGVLZGJSSA-N 341.367 3.729 50 40 EHGB COc1ccc(C(=O)CCc2cccc(NC(=O)CCl)c2)cc1 1614063 KOJUYODYQSPWBM-UHFFFAOYSA-N 331.799 3.688 50 40 EHGB CC1CCN(c2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)o2)CC1 409269758 DJMLQJZVIKFJIK-QGOAFFKASA-N 349.434 3.739 50 40 EHGB C[C@](CC(=O)Nc1ccc(SC#N)cc1)(C(=O)O)c1ccccc1 13253319 LLERNDGINBXCDQ-GOSISDBHSA-N 340.404 3.631 50 40 EHGB Cc1ccc2cc(/C=N/NC(=O)c3ccccc3O)c(Cl)nc2c1 5555669 XFQOMECFUAGLSZ-KEBDBYFISA-N 339.782 3.666 50 40 EHGB Cn1c(CNC(=O)CCCC[C@@H]2CCSS2)nc2ccccc21 78478173 PYJIAYVKNZEVAE-CYBMUJFWSA-N 349.525 3.904 50 40 EHGB C/C(=N/NC(=O)C1[C@H]2CCCC[C@@H]12)c1ccc(Br)cc1 12342851 KRDBWWMPMKJBMX-CUXOPUEMSA-N 335.245 3.726 50 40 EHGB COc1ccc(S(=O)(=O)/C(C#N)=C\Nc2ccc(Cl)cc2)cc1 100676526 HMRHMKQNPRNNPU-WJDWOHSUSA-N 348.811 3.599 50 40 EHGB C[C@@H](COc1ccc(C(C)(C)C)cc1)O[S@](=O)OCCCl 1597095 YKFRAOGHWKADFJ-QKVFXAPYSA-N 334.865 3.602 50 40 EHGB in-vitro Cc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1Br 8812173 UDXWFRYYZVOGGT-GIJQJNRQSA-N 335.176 3.661 50 40 EHGB CC[C@@H](C)Oc1ccccc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 408602939 PDPXDIZHYHRPLS-KZKLBEMASA-N 341.367 3.536 50 40 EHGB C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccccc1Cl 1020978 URFVZIXSZLMKIF-VSMYLPJWSA-N 337.206 3.911 50 40 EHGB CN(C)C(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1Cl 59334908 RBGHFRXXXASYCW-WJDWOHSUSA-N 340.810 3.914 50 40 EHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2F)cc1 210628400 CKAVTOIHJLXFLX-PTNGSMBKSA-N 338.338 3.548 50 40 EHGB CC1(C)[C@]2(C(=O)NCc3ccccc3)CC[C@@]1(C)[C@H]2Br 1805601 ZPRZTROVUOVYNM-XOKHGSTOSA-N 336.273 3.893 50 40 EHGB N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(O)cc1 409377780 KSHIMFZFAMDVKK-VKAVYKQESA-N 347.418 3.928 50 40 EHGB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N/N=C/c1ccccc1F 5003778 FKTAOUGCEILMEG-WSWKIWIGSA-N 329.202 3.867 50 40 EHGB CC(C)Oc1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c(O)c1 408591224 SDLHZUTUSICTJT-RGVLZGJSSA-N 346.814 3.526 50 40 EHGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3N)c2C)c1 408586973 DIIAYBDITWPVHY-YDZHTSKRSA-N 346.434 3.749 50 40 EHGB Cc1cc(C)c2nc(NNC(=O)c3c(F)cccc3F)sc2c1 251203 SCUYYVYHCGLTGC-UHFFFAOYSA-N 333.363 3.948 50 40 EHGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cnccn1 45360 OXVCGZGKFNMBGD-FSJBWODESA-N 326.359 3.547 50 40 EHGB N#C/C(=C/c1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(Cl)c1 90692 BKLDPRMTMSLXOS-QPEQYQDCSA-N 325.730 3.896 50 40 EHGB CC(C)/C=N/NC(=O)COc1ccc2cc(Br)ccc2c1 5632694 CYCQUGYTDXJJOB-GIJQJNRQSA-N 349.228 3.739 50 40 EHGB CCc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 408904287 HMNOXOWZEASZHA-ODLFYWEKSA-N 337.335 3.667 50 40 EHGB N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1ccc(O)cc1 408794132 HYMWOVPBTLKKNE-XYOKQWHBSA-N 343.180 3.700 50 40 EHGB CCc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)c(OC)c2)cc1 33413780 WCYQFWFEGITFBI-WJDWOHSUSA-N 336.391 3.812 50 40 EHGB N#C/C(=C/Nc1ccccn1)C(=O)Nc1ccc(Cl)cc1Cl 5224935 UWQFARKYMFGBJI-KTKRTIGZSA-N 333.178 3.846 50 40 EHGB O=C1[C@H](Cl)N(c2cccc([N+](=O)[O-])c2)[C@H]1c1c[nH]c2ccccc12 5594160 PCQRBGZKNNBCAY-DOTOQJQBSA-N 341.754 3.771 50 40 EHGB Cc1ccc(NCc2ccc(C(=O)N/N=C/c3ccncc3)cc2)cc1 2761744 JNCDBHCCGUMNDR-BUVRLJJBSA-N 344.418 3.766 50 40 EHGB C/C(Cc1ccccc1)=N/NC(=O)COc1ccc(Cl)cc1C 38198420 HXRNDLOHBSHWIW-ZHZULCJRSA-N 330.815 3.762 50 40 EHGB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)C(C#N)=C(O)O2 408732225 PPXTUYOSIXAPJY-GOSISDBHSA-N 329.359 3.998 50 40 EHGB FC(F)(F)[C@@H](I)CC(F)(F)C(F)(F)F 100045294 VMLCHUYCGAPWOJ-REOHCLBHSA-N 341.967 3.940 50 40 EHGB in-vitro Cc1cccc(C)c1NCC(=O)N/N=C\c1c(F)cccc1Cl 4498402 ZUUNBWNTFZIFJH-NKVSQWTQSA-N 333.794 3.658 50 40 EHGB C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc([N+](=O)[O-])cc1 4738325 DJOPUFMFRBYKQW-UDWIEESQSA-N 349.346 3.608 50 40 EHGB C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 6209368 WUUMDYSVSHECPT-NTCAYCPXSA-N 336.778 3.898 50 40 EHGB CCn1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)c2ccccc21 20194530 UDYQAAPMDNPPLN-LPYMAVHISA-N 333.435 3.971 50 40 EHGB Cc1ccc(C(=O)NNC(=O)C2CCC(c3ccccc3)CC2)cc1 23484972 GWKKHGIOOVEQCY-UHFFFAOYSA-N 336.435 3.730 50 40 EHGB CCCCCCN1C(=O)/C(=N/NC(=O)c2ccccc2)c2ccccc21 95929105 ZGQHMZCITJHYOW-ZBJSNUHESA-N 349.434 3.748 50 40 EHGB in-vitro COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1O 111676742 SNURPGWLSDYCAW-QPEQYQDCSA-N 342.782 3.908 50 40 EHGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)c([N+](=O)[O-])c1 408890716 YBEIBVYECWAMNH-UKTHLTGXSA-N 325.299 3.588 50 40 EHGB N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)C(=O)NC1CCCCC1 409064622 IELKYBIAPHXJCZ-VBKFSLOCSA-N 341.430 3.782 50 40 EHGB CCCOc1ccc(C(=O)N/N=C(\C)c2cc(C)ccc2O)cc1 216067817 HMXQPGQGKZSHKG-XSFVSMFZSA-N 326.396 3.643 50 40 EHGB O=S(=O)(c1ccccc1)[C@H](Br)c1ccc(F)cc1 1733328 DGLRDTDKYRJDDH-ZDUSSCGKSA-N 329.190 3.693 50 40 EHGB C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(O)cc1O 100035386 WRIXXRSXQPWQPP-QGMBQPNBSA-N 339.178 3.559 50 40 EHGB CCc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1 4815513 WSRSQMJSBDILJY-WOJGMQOQSA-N 331.213 3.775 50 40 EHGB N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1Cl)C(N)=O 408879876 HOKCXJXWAPCAKI-RIYZIHGNSA-N 331.202 3.976 50 40 EHGB CNC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc3ccccc23)c1C 7209916 NFLUNOWXKXRNQT-LDADJPATSA-N 329.403 3.900 50 40 EHGB CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(C#N)c2)c1C 7265420 HLVANWVWJLOYRW-WOJGMQOQSA-N 332.407 3.932 50 40 EHGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)c3ccco3)cc21 208201368 PTVVNHGDBOBDSG-RQZLXBNYSA-N 325.412 3.766 50 40 EHGB N#C/C(=C/c1ccccc1O)C(=O)Nc1ccc(Br)cc1 208350044 MXWCPLGLEADWHU-XFXZXTDPSA-N 343.180 3.700 50 40 EHGB O=C(COc1ccc(Cl)c(Cl)c1)NNc1ccc(F)cc1 32809330 OUJNJWXXZQUCAZ-UHFFFAOYSA-N 329.158 3.655 50 40 EHGB COc1ccc(C)c2sc(NNC(=O)c3cccc(F)c3)nc12 4121469 CFCIEGFYSLMTSW-UHFFFAOYSA-N 331.372 3.509 50 40 EHGB CCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccccc1 7008991 PEBXOFYXVCNXJT-OEAKJJBVSA-N 347.418 3.801 50 40 EHGB N#C/C(=C/c1cc(Cl)c(O)c(Cl)c1)C(=O)N1CCCCC1 12489665 GHXDMBVRJRFXJL-WDZFZDKYSA-N 325.195 3.618 50 40 EHGB O=C(NNc1c2ccccc2nc2ccccc12)[C@@H](O)c1ccccc1 4151272 VFVJSUMRIATWBP-FQEVSTJZSA-N 343.386 3.565 50 40 EHGB N#C/C(=C\c1ccc(OCC(=O)O)cc1)c1nc2ccccc2s1 4615857 DFFYNCNTRDHZNE-UKTHLTGXSA-N 336.372 3.824 50 40 EHGB Cc1oc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br 408855999 AHWPTEMSGDKPIU-FRKPEAEDSA-N 341.592 3.768 50 40 EHGB O=C(N/N=C/c1ccc(Br)o1)c1cccc2ccccc12 409003278 ZDGFQQYCSJXPBH-VCHYOVAHSA-N 343.180 3.959 50 40 EHGB CC(C)(C)OC(=O)NCC1CCC(I)CC1 238134606 ITKKJUDCPDFVPB-UHFFFAOYSA-N 339.217 3.505 50 40 EHGB O=C1O[C@H]2[C@@H](Cl)C[C@H](Cl)C[C@@H]2C=C1c1cccc([N+](=O)[O-])c1 5328154 RWVZVSACKRVLSF-XYHOJCAOSA-N 342.178 3.528 50 40 EHGB O=C(O)[C@@H](Br)[C@H](Br)c1cccc(Cl)c1 1591971 BHVQFJAWAAQZCT-SFYZADRCSA-N 342.414 3.624 50 40 EHGB CCCOc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1 3174607 ZRMHTMDTVGECMA-UDWIEESQSA-N 346.814 3.658 50 40 EHGB Cc1cc(/C=C(\C#N)C(=O)OCc2ccccn2)c(C)n1CC(C)C 12522928 QEMNUEQZJVDBDP-VCHYOVAHSA-N 337.423 3.806 50 40 EHGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cccc(Br)c2)n1 408979158 PGSFHFNNZPCVLE-NTUHNPAUSA-N 330.185 3.510 50 40 EHGB CC(C)(C)OC(=O)N1C(=O)OC(=O)C[C@H]1c1ccccc1Cl 32098804 WSUFTIKGKLZUFT-NSHDSACASA-N 325.748 3.685 50 40 EHGB O=C(CSc1nc2ccccc2s1)N/N=C/C=C\c1ccco1 13382301 AZEFLBLKJZXJRG-KFIJFHHBSA-N 343.433 3.797 50 40 EHGB Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C)o2)cc1 351851 IICOMBXZPLOYOG-GOSISDBHSA-N 346.390 3.609 50 40 EHGB Cc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)o1 3023533 DTDICIHKUPKEQE-FYJGNVAPSA-N 334.375 3.784 50 40 EHGB N#C/C(=C/c1cccn1-c1ccccc1F)C(=O)Nc1ccc(O)cc1 106120728 AKZPBVJGXQQMNZ-OWBHPGMISA-N 347.349 3.868 50 40 EHGB COc1ccc2cc(/C=C(\C#N)C(=O)Nc3nccs3)ccc2c1 6210148 LIYILHQQKBNRBD-OQLLNIDSSA-N 335.388 3.851 50 40 EHGB Cc1cccc(OCC(=O)N/N=C/c2c(C)n(C)c3ccccc23)c1C 4663489 SDJOCPIXXRAXER-WSDLNYQXSA-N 349.434 3.633 50 40 EHGB CCCCCC1=CCC/C1=N\NC(=O)CNc1ccc(OC)cc1 5694462 DHXPYZHGXYEPFD-DYTRJAOYSA-N 329.444 3.880 50 40 EHGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)n1Cc1ccco1 7157110 ZYTYPLOJPUVFPB-LICLKQGHSA-N 349.390 3.563 50 40 EHGB COc1cc2c(cc1/C=C(/C#N)c1nc3ccc(F)cc3[nH]1)OCO2 408570255 TXYFLOKIOGTGSF-WCIBSUBMSA-N 337.310 3.503 50 40 EHGB COCCCCC(=O)N1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1 585125122 HNOSVICPHSQSLR-OAHLLOKOSA-N 329.557 3.816 50 40 EHGB COC(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1cccs1 40161444 FKHHXJYSEDULRK-GDNBJRDFSA-N 349.415 3.740 50 40 EHGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)ccc1OCC(C)C 408802857 IIENYKFYTZCEPT-ADFUCPMPSA-N 344.455 3.942 50 40 EHGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccccc2OCC#N)cc1 46194287 VZABCEMIDGIXMX-HYARGMPZSA-N 335.407 3.650 50 40 EHGB CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)c2ccc(C#N)cn2)C1 585125503 VTZBGJIFLUVIHB-HNNXBMFYSA-N 345.519 3.580 50 40 EHGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 15219411 MOUMMNSQBCBKME-YBEGLDIGSA-N 336.391 3.866 50 40 EHGB Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2cccs2)cc1 495263 IEOMMXNNYUWXOO-KRWDZBQOSA-N 348.431 3.769 50 40 EHGB CCOc1ccc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)cc1OCC 100216248 AUXSGANXTVQCTR-RPSLHAOZSA-N 344.455 3.760 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1O 3304332 QUHVKJVASMIYNC-XYOKQWHBSA-N 328.755 3.600 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2[nH]c3ccc(C)cc3c2C)cc1 2206721 GGGHMCKWDHQZLC-CIAFOILYSA-N 335.407 3.947 50 40 EHGB Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1ccc(F)cc1 408988054 CJSXOBWPHYZQSJ-UCQKPKSFSA-N 349.409 3.926 50 40 EHGB CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])o2)cc1 252502820 UTWNXJVUGKBURP-UKTHLTGXSA-N 325.324 3.857 50 40 EHGB C[C@H]1Oc2ccccc2C=C1/C=C(\C#N)S(=O)(=O)c1ccccc1 912125 PGIJLNUAZNDSOA-CRRKTRLDSA-N 337.400 3.732 50 40 EHGB N#C/C(=C\c1ccc(O)c(O)c1)C(=O)Nc1cccc(Cl)c1Cl 6939397 ISPLJFXRMWSFCY-UXBLZVDNSA-N 349.173 3.950 50 40 EHGB CC1=C(C#N)C(=O)NC(=O)/C1=C/c1c2ccccc2cc2ccccc12 100868877 QNKDXSKSOSMRQX-WOJGMQOQSA-N 338.366 3.873 50 40 EHGB CCOc1ccc(C(=O)N/N=C(\c2ccccc2)c2ccccn2)cc1 369604 LWMUYQDLZDEWKY-BSYVCWPDSA-N 345.402 3.663 50 40 EHGB N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(=O)NC1CCCCCC1 2759093 SSPXGFWYYVSHHV-NTUHNPAUSA-N 346.814 3.815 50 40 EHGB C/C(=N\NC(=O)CNc1ccc2ccccc2c1)c1ccc(F)cc1 5128198 RIYYDBWFJQLZMW-OEAKJJBVSA-N 335.382 3.931 50 40 EHGB COc1c(Br)cc(Br)cc1C(=O)Cl 5660944 BXUKZDBUFHBDSP-UHFFFAOYSA-N 328.387 3.599 50 40 EHGB Cc1c(F)cc(CBr)cc1I 169795568 ZUIOOARLFPKEOW-UHFFFAOYSA-N 328.950 3.634 50 40 EHGB CC1(C)Cc2cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)ccc2O1 408710649 CDWMJNFZRTVHEZ-XNTDXEJSSA-N 334.375 3.651 50 40 EHGB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CCl 81259 RMQORGRJRGMLIS-UHFFFAOYSA-N 341.791 3.908 50 40 EHGB O=C(N/N=C/c1cccc(OCc2ccccc2F)c1)c1ccncc1 559530 MKHNQYICIPLEIB-YDZHTSKRSA-N 349.365 3.564 50 40 EHGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccccn1 546957 OXAVINTWTQXGLX-RGVLZGJSSA-N 325.755 3.759 50 40 EHGB Cc1cc2nc3c(nc2cc1C)N(C)C1=C(N=N[C@@H](Cl)C1=O)S3 103742057 KMBHMVVLDGEEQI-GFCCVEGCSA-N 345.815 3.557 50 40 EHGB COc1cccc(/C=N/NC(=O)CSCc2ccccc2Cl)c1 58915601 HLTXOAZHIRNBGO-VXLYETTFSA-N 348.855 3.732 50 40 EHGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4953670 YVMAMADPQHZICK-YRNVUSSQSA-N 345.717 3.933 50 40 EHGB COc1cc(C)ccc1C(=O)N/N=C\c1c(C)n(C)c2ccccc12 408847266 SQRMZAFAQLGNSK-MTJSOVHGSA-N 335.407 3.568 50 40 EHGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(N)=O 408811417 LIXCMXTVUMFJRZ-NTUHNPAUSA-N 347.201 3.965 50 40 EHGB Cc1ccc(N2C=C(C#N)S(=O)(=O)c3c(F)cccc32)c(C)c1 38654582 QMMLHLADMXWLPN-UHFFFAOYSA-N 328.368 3.733 50 40 EHGB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N/N=C\c1ccc(F)cc1 33339518 KBKMPACEUJAAPG-XGTDKWECSA-N 334.778 3.705 50 40 EHGB CCCCCCOc1ccc(/C=C(\C#N)S(=O)(=O)NC2CC2)cc1 584908871 GWIDUYAGYSRKLC-QGOAFFKASA-N 348.468 3.592 50 40 EHGB N#CC1=C(N)Oc2cc(O)c(Cl)cc2[C@@H]1c1cccc(Cl)c1 5568789 RHPUFWWIOSSODW-HNNXBMFYSA-N 333.174 3.917 50 40 EHGB O=C(O)[C@@H](Br)[C@@H](Br)c1cccc(Cl)c1 1591970 BHVQFJAWAAQZCT-YUMQZZPRSA-N 342.414 3.624 50 40 EHGB CC(C)(C)C1CCC(=NNC(=O)CC(=O)NC2CCCCC2)CC1 59435609 YMCWIWNCMJFFCD-UHFFFAOYSA-N 335.492 3.534 50 40 EHGB Cc1ccc(OCC(=O)N/N=C\c2c(C)n(C)c3ccccc23)cc1C 5032582 FPXQLVYCOQAEEX-UUYOSTAYSA-N 349.434 3.633 50 40 EHGB C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 4306506 BSMZMZKBWJEIPS-XZIFPBMPSA-N 337.335 3.857 50 40 EHGB CN1C(N)=C(C#N)[C@@H](c2cccc3ccccc23)C2=C1CCCC2=O 409146108 JJTYLNFPSGFJML-LJQANCHMSA-N 329.403 3.570 50 40 EHGB Cc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1C 408870825 XNDNTSZDLSAGCR-DJKKODMXSA-N 345.786 3.937 50 40 EHGB Cc1cc(NC(=O)/C(C#N)=C/c2c[nH]c3cc(Cl)ccc23)no1 44890746 STFGIBHQJPQXNK-BJMVGYQFSA-N 326.743 3.663 50 40 EHGB CCCC/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1ccccc1 5308084 PXKMOXVSASLDHH-SRMPHAGFSA-N 338.407 3.537 50 40 EHGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3Cl)c2[C@@H]1c1ccccc1 477644 XAUPPOYBJGHVIU-OAHLLOKOSA-N 348.793 3.948 50 40 EHGB N#CC(C#N)=C(C#N)c1ccc(-c2ccc(N3CCOCC3)s2)cc1 101002740 YUOGLWJZFNYVCQ-UHFFFAOYSA-N 346.415 3.576 50 40 EHGB CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccncc2)c1C 408966206 KKLSWGIFWHLHBZ-OEAKJJBVSA-N 346.434 3.815 50 40 EHGB C[C@@H]1C[C@H](NNC(=O)c2ccc(Br)cc2)CC(C)(C)C1 32109840 WWLNGDVKZPREJT-RISCZKNCSA-N 339.277 3.898 50 40 EHGB CC(C)c1ccc(C=NNC(=O)COc2ccccc2Cl)cc1 23397217 MEYVKYCQTQFAGZ-UHFFFAOYSA-N 330.815 3.993 50 40 EHGB CCN(c1ccccc1)N(CCC[N+](C)(C)C)C(=O)c1ccccc1 5455500 RNLIISBIAAMZJE-UHFFFAOYSA-N 340.491 3.667 50 40 EHGB CC(C)C/C(=N/NC(=O)c1ccncc1)c1cc(Cl)ccc1O 4539116 RKYOOFYXWKNEDT-HKWRFOASSA-N 331.803 3.621 50 40 EHGB COc1ccc(/C(C#N)=C/c2cc(OC)c(OC)c(OC)c2)cc1 72222 TWQVQTHANQGUMN-OQLLNIDSSA-N 325.364 3.785 50 40 EHGB C=CCOc1cccc(/C=N/NC(=O)c2ccc(OCCC)cc2)c1 20197746 FPKCGTIGHQYJCU-RCCKNPSSSA-N 338.407 3.804 50 40 EHGB Cn1cc(/C=N\NC(=O)c2ccccc2-n2cccc2)c2ccccc21 13285774 ZUNXPYWBYKSGQL-HMAPJEAMSA-N 342.402 3.733 50 40 EHGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OC)c1O 195288046 LLMFNLOLHBZARR-GZTJUZNOSA-N 348.402 3.983 50 40 EHGB Cn1cc(/C=C(\C#N)c2nc(-c3ccccc3)nn2C)c(C(C)(C)C)n1 585136147 STMBRWULFIRAGP-RVDMUPIBSA-N 346.438 3.577 50 40 EHGB S=C(NCCBr)Nc1ccc(Cl)cc1Cl 6862906 KJQBZMKMBQZBBD-UHFFFAOYSA-N 328.062 3.675 50 40 EHGB O=C(N[C@@H](C(=O)NN=C1CCCCC1)c1ccccc1)c1ccccc1 226010 YTMIFCIZTVKJLY-LJQANCHMSA-N 349.434 3.594 50 40 EHGB CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1Cl 377714 DNOWDZZXRGEVJL-KRWDZBQOSA-N 325.799 3.624 50 40 EHGB CCOC(=O)/C(C#N)=C\c1cc2ccccc2nc1N1CCCCC1 35176896 HAFDMQYCXZVSSA-LGMDPLHJSA-N 335.407 3.695 50 40 EHGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)cc1 408866603 IGOPEWNSQHVKDL-NTEUORMPSA-N 340.766 3.672 50 40 EHGB C[C@H](Cl)C(=O)Nc1ccc(I)c(Cl)c1 96029392 JXYQGYNQTPURNG-YFKPBYRVSA-N 343.979 3.510 50 40 EHGB COc1ccc(/C(C)=N/NC(=O)c2ccc(Br)cc2)cc1 13950560 PXMWCAMEZAQWOS-WOJGMQOQSA-N 347.212 3.612 50 40 EHGB N#CSc1ccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)cc1 3187932 HZMXBADMYXKZKT-UHFFFAOYSA-N 342.387 3.601 50 40 EHGB O=C(NN=C1c2ccccc2-c2ccccc21)c1ccc2c(c1)OCO2 3210752 JMDPZRQWQQHEBI-UHFFFAOYSA-N 342.354 3.578 50 40 EHGB CCN(CC)C(=O)CSC1=C(C#N)[C@@H](c2cccs2)C=C(C)N1 495508 NNJJJLNEZYAGCG-ZDUSSCGKSA-N 347.509 3.675 50 40 EHGB N#CC1=C(NC(=S)NC(=O)c2cccs2)CC2=C1CCCCC2 520225 DTFKNLQXWJVXFU-UHFFFAOYSA-N 343.477 3.794 50 40 EHGB O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc(C2CC2)nn1-c1ccccc1 103407752 FYHKQQAFSDKOPD-UHFFFAOYSA-N 349.346 3.877 50 40 EHGB COc1ccc(/C=C(\C#N)c2nc(-c3ccccc3C)no2)cc1O 9530675 NGZBJZPSJZYLFV-NTEUORMPSA-N 333.347 3.823 50 40 EHGB COc1ccc(OC)c(/C=C2\C(=O)c3ccccc3C2=C(C#N)C#N)c1 34165563 XVMMMLSHGSOOOU-ZDLGFXPLSA-N 342.354 3.784 50 40 EHGB O=C(N/N=C/c1ccc(Br)cc1)[C@@H]1[C@H]2CCC=CCC[C@H]21 245228021 YRDYROPTOFWUKW-QYKJQPEUSA-N 347.256 3.892 50 40 EHGB 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3.581 50 40 EHGB CCOc1ccc(/C=C(/C#N)C(=O)n2nc(C)cc2C)c(OCC)c1 409377917 KOALSWBCIXSREH-YBEGLDIGSA-N 339.395 3.545 50 40 EHGB CCN(CC)c1ccc(/C=N\NC(=O)c2cc3ccccc3o2)o1 408852064 HOEAZXAXWCODBG-UNOMPAQXSA-N 325.368 3.636 50 40 EHGB N#C/C(=C\c1cccc(Br)c1)S(=O)(=O)c1ccccc1 148300 WEYZNDQGYDIYPM-XNTDXEJSSA-N 348.221 3.787 50 40 EHGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cccc3ccccc23)c1 582512 NDWANJFEEBJFMM-FYJGNVAPSA-N 331.375 3.562 50 40 EHGB Cc1c(Cl)cccc1C(=O)[C@H](Br)CBr 306841054 AKBQDUOLOSLHJV-MRVPVSSYSA-N 340.442 3.990 50 40 EHGB O=[N+]([O-])c1c(C(Cl)Cl)nn(-c2ccccc2)c1N1CCCC1 4301312 XCUSIDOBCQZOOM-UHFFFAOYSA-N 341.198 3.857 50 40 EHGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1O 563139 JMBOJTJNVNGFKM-HYARGMPZSA-N 346.386 3.735 50 40 EHGB COc1ccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)c2ccccc23)cc1 1306780 ZNKULDJIDXCXTG-GOSISDBHSA-N 328.371 3.787 50 40 EHGB N#C/C(=C\c1ccc(Br)cc1F)C(=O)NC1CCCC1 14178496 TWFNDQXEVLRQCT-YRNVUSSQSA-N 337.192 3.554 50 40 EHGB Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)Nc1ccccc1 35623137 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CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC 409190185 MHCUMCDZYAMTFE-HNDQUVLASA-N 342.439 3.838 50 40 EHGB Cc1ccc2nc(NC(=O)[C@H](Br)C(C)C)sc2c1 19803661 PZUNOGIAIWFSMA-LLVKDONJSA-N 327.247 3.963 50 40 EHGB CC(C)(C)c1ccc(C(=O)NNC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 103057596 NUCQJBBTGVZAIE-BMFZPTHFSA-N 328.456 3.571 50 40 EHGB N#C/C(=C\c1cc(Br)ccc1O)C(=O)Nc1ccccc1 5774385 XGZOVKZEPPLNTL-XYOKQWHBSA-N 343.180 3.700 50 40 EHGB C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C 7164441 AZRAPHVRCYRZHL-QGOAFFKASA-N 330.387 3.861 50 40 EHGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 2987123 GOPSQXHQLQNZJB-XFFZJAGNSA-N 345.738 3.768 50 40 EHGB CC(C)/C=N\NC(=O)CCCCCCCCC(=O)N/N=C\C(C)C 4771184 ATQVDHVLGHPJAP-AXPXABNXSA-N 338.496 3.623 50 40 EHGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(F)cc2)cc1 1319499 VMAJOOSAVKEAEK-OMBDHMDGSA-N 328.387 3.868 50 40 EHGB N#CC(C#N)=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59426498 UHQXEDDVHVBHKK-UHFFFAOYSA-N 336.263 3.726 50 40 EHGB C[C@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 4306503 BSMZMZKBWJEIPS-ALSZNTJWSA-N 337.335 3.857 50 40 EHGB C[C@@H]1CC=C2[C@@H](C1)[C@@H](c1ccccc1F)C(C#N)=C(N)C2(C#N)C#N 19853275 IZDFGUXRWGVVCH-RVZJWNSFSA-N 332.382 3.665 50 40 EHGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(Br)o1 408805742 LDTJAVVHVXUEEM-PFVNGKLPSA-N 337.217 3.644 50 40 EHGB COc1cc(C)c(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 123795760 LTTSQXURNUPBCK-YBEGLDIGSA-N 336.391 3.866 50 40 EHGB CCOP(=S)(NC(=O)Nc1ccc(F)c(Cl)c1)OCC 159910 PRKINTJLVQLWQZ-UHFFFAOYSA-N 340.744 3.898 50 40 EHGB O=C(NN=C1c2ccccc2-c2ccccc21)c1ccccc1[N+](=O)[O-] 3209645 JLLDUXYTOBVFHK-UHFFFAOYSA-N 343.342 3.758 50 40 EHGB NC(=O)NN=C1[C@@H]2CCC[C@@H]1[C@H](c1ccccc1)N[C@H]2c1ccccc1 101312106 BNJXNKFPPJGIBR-YRXWBPOGSA-N 348.450 3.513 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1 137745 NMPDDXMXXHRWNT-RCCKNPSSSA-N 333.391 3.640 50 40 EHGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccncc1 549275 XDZRTBYKKOUYNX-RGVLZGJSSA-N 325.755 3.759 50 40 EHGB 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30817682 DVZNTITVXROGAT-ODLFYWEKSA-N 332.787 3.511 50 40 EHGB COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OCC#N 4149646 XMLHCAAARCJRCM-GXDHUFHOSA-N 330.347 3.538 50 40 EHGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1O 15013058 AQSRGDQVVBFZGV-QPEQYQDCSA-N 342.782 3.908 50 40 EHGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1OC 16439802 SFVBSWZEXOJTCR-UKTHLTGXSA-N 342.782 3.903 50 40 EHGB NNC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 226333722 IRJWHCZTDDBSEV-XBXARRHUSA-N 337.206 3.576 50 40 EHGB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N/N=C/c1ccccc1F 243891 HYFHCAPEYFKGRX-QDBSGRMGSA-N 334.778 3.705 50 40 EHGB CCc1cc(CC)c(C2C(C#N)=C(N)SC(N)=C2C#N)c(CC)c1 135340 VGWIJEABIOKEOR-UHFFFAOYSA-N 338.480 3.592 50 40 EHGB Cc1c(/C=N/NC(=O)c2cc3ccccc3o2)c2ccccc2n1C 204922 WRYXRSROJWQAAR-CIAFOILYSA-N 331.375 3.997 50 40 EHGB COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)cc(OC)c1OC 3899804 RLSVTAHAMRLBFN-NTEUORMPSA-N 349.390 3.663 50 40 EHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2sccc2C)cc1 6428509 BTYNPHZPWQOEFQ-GXDHUFHOSA-N 340.404 3.779 50 40 EHGB O=C(N/N=C/c1cc(Br)cs1)c1ccc(Cl)cc1 7931735 HNBODCUQPXKNSX-GIDUJCDVSA-N 343.633 3.928 50 40 EHGB CC1=C(Cl)C(=O)[C@@](C)(Cl)[C@H](Cl)/C1=N\C(=O)c1ccccc1 26787138 LGPFYERHZXIYAG-CANLQNINSA-N 344.625 3.968 50 40 EHGB CC(C)(c1ccccc1)c1ccc(OCCNC(=O)CCl)cc1 59461503 SEGRKAVWSZIRLJ-UHFFFAOYSA-N 331.843 3.746 50 40 EHGB O=C(CCc1ccccc1O)N/N=C/c1c(Cl)cccc1Cl 59499260 IFKRYXZYILYGPP-VXLYETTFSA-N 337.206 3.782 50 40 EHGB O=C(CCl)N(Cc1ccncc1)c1ccc(C(F)(F)F)cc1 199755928 QQEDQRUSNVMRQI-UHFFFAOYSA-N 328.721 3.872 50 40 EHGB COc1cccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c1 409016471 UATZRUQYQQSQIM-GRSHGNNSSA-N 328.755 3.859 50 40 EHGB C[C@H]1CCc2sc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2C1 3389833 WLPHONKUVAPNCU-HPAYWCODSA-N 343.408 3.545 50 40 EHGB O=C1[C@H](c2c[nH]c3ccccc23)N(c2ccccc2[N+](=O)[O-])[C@@H]1Cl 5594170 FOGCFESHGCMFAM-RDJZCZTQSA-N 341.754 3.771 50 40 EHGB CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)cc1 143970 VPERYYHKZZWNHX-GXDHUFHOSA-N 339.782 3.844 50 40 EHGB C[C@@H](Cl)C(=O)Nc1ccc(Br)cc1Br 3379253 WVBWPKIHMJFYEA-RXMQYKEDSA-N 341.430 3.777 50 40 EHGB CCOc1ccc(/C(C)=N/NC(=O)CSc2ccccc2)cc1 408771082 CZENUNZEYLUOMN-XMHGGMMESA-N 328.437 3.718 50 40 EHGB COc1ccc2nc(/C(C#N)=C\c3ccc(Br)o3)[nH]c2c1 409391265 IQTUHDCSBIUKIT-TWGQIWQCSA-N 344.168 3.991 50 40 EHGB Cc1cc(OCC(=O)N/N=C/c2c(F)cccc2F)ccc1C(C)C 3194159 KTQKDHJJFIIFON-LSHDLFTRSA-N 346.377 3.926 50 40 EHGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])o1 2795223 MVYIGGSYAYXOTQ-UXBLZVDNSA-N 331.715 3.695 50 40 EHGB C=CCOc1ccc(/C=N/NC(=O)c2cc3cc(OC)ccc3[nH]2)cc1 2329597 LQTNVXNAGYKCQG-FYJGNVAPSA-N 349.390 3.505 50 40 EHGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cccc(OC)c1 409107651 SGOZPMUCLIIWAZ-YBFXNURJSA-N 332.787 3.511 50 40 EHGB Cc1cccc(C(=O)CBr)c1NC(=O)OC(C)(C)C 199829883 REEYTGMPWGYGKA-UHFFFAOYSA-N 328.206 3.920 50 40 EHGB N#C/C(=C\c1c(F)cccc1Cl)C(=O)Nc1ccc(C(=O)O)cc1 3436994 JQKMKHJWAJSCDS-DHZHZOJOSA-N 344.729 3.723 50 40 EHGB CCCN1CCC(=NNC(=O)c2cc(Cl)ccc2Cl)CC1 373034 DGMAHIYPTMTFEY-UHFFFAOYSA-N 328.243 3.585 50 40 EHGB N#Cc1ccccc1-c1ccc(/C=N/NC(=O)c2ccc(F)cc2)o1 8812145 RADFSVVCDKLILP-WSDLNYQXSA-N 333.322 3.721 50 40 EHGB COc1cccc(/C=N\NC(=O)Nc2ccccc2)c1OC(C)C 136980864 QPAANMCQDSHZCG-UNOMPAQXSA-N 327.384 3.638 50 40 EHGB O=C(Cl)c1cc(C(F)(F)F)ccc1I 96304897 ZPVSLIGYAQBKAL-UHFFFAOYSA-N 334.462 3.689 50 40 EHGB C=CCn1cc(/C=N/NC(=O)Cc2ccc(C)cc2)c2ccccc21 512020 ABQWNNHQGJRZQP-HYARGMPZSA-N 331.419 3.829 50 40 EHGB Cc1ccc(-c2ccc(/C=N\NC(=O)c3ccccc3)o2)cc1[N+](=O)[O-] 5754134 VHUSRILNEQFZQV-NDENLUEZSA-N 349.346 3.927 50 40 EHGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)s2)cc1OC 6209949 XPCONRKMRRNJDS-XYOKQWHBSA-N 328.393 3.619 50 40 EHGB COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12 261198 GZUXCAATJXZRSK-UDWIEESQSA-N 349.346 3.521 50 40 EHGB CC1=C[C@@H](C)[C@@H]2CO[C@H](c3ccccc3)[C@H]1[C@@H]2COC(=O)CCl 4023136 WDVFWRCDJREHFA-VFHCNTGYSA-N 334.843 3.985 50 40 EHGB O=C(NN=C1CCN(Cc2ccccc2)CC1)c1c[nH]c2ccccc12 55072012 GDJSULXNYBRZGX-UHFFFAOYSA-N 346.434 3.550 50 40 EHGB O=C(Cl)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 2513607 FVJGLWRBPJQJRA-UHFFFAOYSA-N 331.706 3.856 50 40 EHGB Cc1cc(/C=C(\C#N)C(=O)Nc2cn[nH]c2)c(C)n1-c1ccc(F)cc1 64877481 WBKWRLMDQIYDDZ-OVCLIPMQSA-N 349.369 3.502 50 40 EHGB CCc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1 223174379 OSRQGNKULDWKCN-ATVHPVEESA-N 334.375 3.581 50 40 EHGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl 5679613 GVPQCALWUFVVKI-XYOKQWHBSA-N 327.727 3.794 50 40 EHGB C/C(=N\NC(=O)c1cccn1C)c1ccc(Oc2ccccc2)cc1 98054892 QYIDUTKSEGNKPL-RCCKNPSSSA-N 333.391 3.971 50 40 EHGB ClC[C@H](Cl)COC[C@H]1CO[C@@H](c2ccc(Cl)cc2)O1 227267285 CKAGUBYMMHRUIZ-RWMBFGLXSA-N 325.619 3.617 50 40 EHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1O 5718510 OJYLCDBVLCYPCM-MHWRWJLKSA-N 336.391 3.953 50 40 EHGB N#C/C(=C\c1ccc(C(=O)O)cc1)C(=O)c1c[nH]c2cc(F)ccc12 40139953 GXRAZYLPNCWDKF-NTUHNPAUSA-N 334.306 3.795 50 40 EHGB Cc1ccc(NCC(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 4711891 BGJNRAMXCDJCRF-AWQFTUOYSA-N 336.222 3.864 50 40 EHGB O=C(NNc1ccccc1[N+](=O)[O-])c1cc2c(s1)CCCCC2 61470508 AHSNAEUNOYXBFS-UHFFFAOYSA-N 331.397 3.682 50 40 EHGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OC 59116665 LFQDERLRQQJZNS-VBKFSLOCSA-N 334.375 3.806 50 40 EHGB Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C#N)c1 5518223 VDKMPBQBZMKAOU-UHFFFAOYSA-N 342.358 3.534 50 40 EHGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)C(=O)NC1CCCCC1 23217382 IWDVJQYLMJBIRH-XYOKQWHBSA-N 333.775 3.604 50 40 EHGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC 408746455 DMGUNHSNWSBYSL-UYRXBGFRSA-N 332.403 3.647 50 40 EHGB N#C/C(=C/c1ccccc1OCC(N)=O)c1cccc2ccccc12 409313355 PRKQRWJDYDKSDM-ATVHPVEESA-N 328.371 3.768 50 40 EHGB O=C1OC(=O)c2c(-c3ccc(O)cc3)ccc(-c3ccc(O)cc3)c21 139263345 XPZWODOVVKEUQD-UHFFFAOYSA-N 332.311 3.742 50 40 EHGB Brc1ccc2c(CCI)c[nH]c2c1 89203476 NWNNSNVJEXGUEU-UHFFFAOYSA-N 349.997 3.908 50 40 EHGB COc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 567305 HCTBNWRRMKJLTA-ZGXHQARYSA-N 348.855 3.980 50 40 EHGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1C 3072761 TVFHTXXEMZNPBS-CIAFOILYSA-N 337.423 3.516 50 40 EHGB C/C(=N/NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(N(C)C)cc1 4116983 HWXUZDOMOPYDNX-HMAPJEAMSA-N 339.483 3.809 50 40 EHGB CC(C)=C[C@H]1[C@@H](C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)C1(C)C 24714002 LJACUKPTNBTUQE-MTPYNGCESA-N 344.499 3.589 50 40 EHGB Cc1c(Cl)cccc1C(=O)[C@@H](Br)CBr 306841057 AKBQDUOLOSLHJV-QMMMGPOBSA-N 340.442 3.990 50 40 EHGB O=C(Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2)C(Cl)Cl 1724341 LXJHNPKEJNHETO-UHFFFAOYSA-N 337.162 3.908 50 40 EHGB C[C@@H]1CC=C2[C@@H](C1)[C@H](c1ccccc1F)C(C#N)=C(N)C2(C#N)C#N 34917043 IZDFGUXRWGVVCH-DFHBCGBQSA-N 332.382 3.665 50 40 EHGB O=C(O)c1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1 409016394 SGHPFJLBUKZJAD-OCKHKDLRSA-N 342.738 3.548 50 40 EHGB CC(C)c1cc(/C=N/NC(=O)c2ccncc2)cc(C(C)C)c1O 408854627 JJHIBEGMBZRFAO-SRZZPIQSSA-N 325.412 3.798 50 40 EHGB C[C@H](Br)C(=O)Nc1ccc(Br)cc1Cl 152360 QZKVBAUJKKMPAD-YFKPBYRVSA-N 341.430 3.824 50 40 EHGB O=C(Cc1cn2ccccc2n1)NN(c1ccccc1)c1ccccc1 29961157 BDJRQVRURAUALP-UHFFFAOYSA-N 342.402 3.746 50 40 EHGB CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1ccsc1 4751950 OJMGWNRYMIEXPE-MRXNPFEDSA-N 340.404 3.893 50 40 EHGB CCOc1ccccc1/C=N/NC(=O)c1ccccc1-n1cccc1 5874759 SNXSQEZWZOXLKO-RCCKNPSSSA-N 333.391 3.640 50 40 EHGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccsc1 141970 MVHCWIZQTNTNAJ-QGZVFWFLSA-N 325.437 3.812 50 40 EHGB Cc1cc(OCC(=O)N/N=C/c2ccc(F)cc2)cc(C)c1Cl 504854 QDAXZTSLZOGOFQ-AWQFTUOYSA-N 334.778 3.625 50 40 EHGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2C#N)cc1 59399139 YLOVTMWZBRZOGG-ODLFYWEKSA-N 345.402 3.569 50 40 EHGB COC(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 519996 ODPLGFLEROIOKA-KEBDBYFISA-N 325.343 3.519 50 40 EHGB Cc1ccc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc1 59473359 IFWCWYBVBALCRU-RGVLZGJSSA-N 326.465 3.995 50 40 EHGB CCOC(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 2216993 RNFYVYRTQSJAHW-SRZZPIQSSA-N 339.370 3.909 50 40 EHGB CCCC[C@@H](Br)C(=O)OC[C@@H]1CCCN2CCCC[C@H]12 4027980 SZUFXALKOQDQRX-RRFJBIMHSA-N 346.309 3.748 50 40 EHGB biogenic Cc1ccccc1OCC(=O)N/N=C/c1ccc2c3c(cccc13)CC2 408864055 RXKGYSRSSVKLID-YDZHTSKRSA-N 344.414 3.776 50 40 EHGB O=C(N/N=C/c1ccc(Br)o1)c1ccc2ccccc2c1 408990759 LSIISWAYDVZEMC-VCHYOVAHSA-N 343.180 3.959 50 40 EHGB N#CC1=C(SCCCc2ccccc2)NC(=O)C[C@@H]1c1ccco1 409128771 GSOQNKLADMNEBK-HNNXBMFYSA-N 338.432 3.984 50 40 EHGB Cc1oc(/C=N/NC(=O)c2ccccc2Cl)cc1Br 408879650 DJLZERIVFNUFST-FRKPEAEDSA-N 341.592 3.768 50 40 EHGB COc1ccccc1C(=O)N/N=C/c1cc(C(C)C)c(OC)cc1C 6188657 CIMHBEDMEPXOPW-CIAFOILYSA-N 340.423 3.900 50 40 EHGB O=C(N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21)c1ccncc1 33669055 VKUGVGABPFGOCN-IRJMIRDBSA-N 343.386 3.740 50 40 EHGB CN(C)C(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 59333671 WNVOXLMWXBHIQR-YFHOEESVSA-N 345.742 3.503 50 40 EHGB CC(=O)Nc1ccc(/C(C)=N\NC(=O)c2ccc(Cl)s2)cc1 5612497 RQCTWPARPVSLNF-NVMNQCDNSA-N 335.816 3.514 50 40 EHGB CCOc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1OCC 408873974 XZBGJDRRMIVGLA-RCCKNPSSSA-N 340.423 3.567 50 40 EHGB Cc1ccc(C(=O)[C@@H](Br)CBr)cc1Cl 307103915 FLHWDQPARVRZJS-QMMMGPOBSA-N 340.442 3.990 50 40 EHGB Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N/N=C/c1ccccc1O 3167150 MIBGPOABHPBNRO-NGZBARDMSA-N 340.423 3.742 50 40 EHGB C/C(=N\NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(F)cc1 18192159 DCMMHMGBAXKRMY-CIAFOILYSA-N 337.354 3.943 50 40 EHGB CC(C)(C)c1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)cc1 3239028 FOYPMJAOHHTKBO-WSDLNYQXSA-N 327.403 3.685 50 40 EHGB N#C[C@@H](C(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1 409207588 YASAGMJAXFHVOZ-DGURAOSJSA-N 332.190 3.751 50 40 EHGB O=C(N/N=C/c1ccccc1Br)c1ccc(Cl)cc1 3469485 VBYHDDFEJIYCHK-RQZCQDPDSA-N 337.604 3.866 50 40 EHGB O=C(CCCCCBr)c1ccc(N2CCOCC2)cc1 575358845 UMUOOIJQOGMCHD-UHFFFAOYSA-N 340.261 3.661 50 40 EHGB Cc1cccc(C)c1NC(=S)NNC(=O)c1ccccc1Cl 67671 CTYRBIZZYHRAPZ-UHFFFAOYSA-N 333.844 3.588 50 40 EHGB Cc1cc2sc(NC(=O)[C@@H](C)Cl)nc2cc1Br 20131919 DMLDMNPOYXUGKK-ZCFIWIBFSA-N 333.638 3.933 50 40 EHGB CCOc1ccc(C(=O)N/N=C/c2ccc(OC(C)C)cc2)cc1 20764559 RGOYUHSUUBFIBV-DEDYPNTBSA-N 326.396 3.636 50 40 EHGB CSc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1 3162067 UFQPQUFYIDXFJL-LICLKQGHSA-N 349.253 3.935 50 40 EHGB O=C1O[C@H]2[C@@H](Cl)C[C@@H](Cl)C[C@@H]2C=C1c1cccc([N+](=O)[O-])c1 5328152 RWVZVSACKRVLSF-XXSPCDMZSA-N 342.178 3.528 50 40 EHGB CN(C)c1ccc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1 101426375 JMTQSTHQFVMIRE-JCMHNJIXSA-N 331.419 3.599 50 40 EHGB O=C(CCl)Nc1nc2c(Br)cc(Cl)cc2s1 20131779 FGBIBSDGJOPFMP-UHFFFAOYSA-N 340.029 3.890 50 40 EHGB Cc1cc(Br)c2nc(NC(=O)[C@H](C)Cl)sc2c1 20131909 UDXBEEZDYOULST-LURJTMIESA-N 333.638 3.933 50 40 EHGB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NNC(=O)c1cccs1 32779669 DXVGXZRFDBVLON-NSHDSACASA-N 343.408 3.542 50 40 EHGB COc1ccccc1/C=N/NC(=O)CSCc1cc(C)cc(C)c1 59473167 HYILHAWGAXSHKB-RGVLZGJSSA-N 342.464 3.696 50 40 EHGB CCCSC1=C(C#N)[C@@H](c2ccccc2C)[C@H](C(=O)OC)C(O)=N1 2476051 FCGYZQQVQOIDPU-CABCVRRESA-N 344.436 3.716 50 40 EHGB COc1ccc(C(=O)N/N=C/c2ccc(C)c(Br)c2)cc1 4545153 CVMLWPDXKZEGOB-VCHYOVAHSA-N 347.212 3.530 50 40 EHGB N#C/C(=C\c1cc(Br)cs1)c1nnc2n1CCCCC2 7159054 MWBXCAYRIWYTJS-UXBLZVDNSA-N 349.257 3.893 50 40 EHGB CC(=O)O[C@@H]1C[C@@](F)(C(F)(F)F)[C@@](F)(C(F)(F)F)C[C@@H]1Cl 227002656 NSDMPHHLQXQISE-OSMVPFSASA-N 348.617 3.861 50 40 EHGB CC(/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12)=C\c1ccco1 15227025 OBVNCGAMONCIBT-GUQJGMNRSA-N 345.402 3.973 50 40 EHGB COc1ccccc1/C=C(\C#N)c1cc(OC)c(OC)cc1[N+](=O)[O-] 500742 AFPRHPVGEKUCHH-MDWZMJQESA-N 340.335 3.685 50 40 EHGB O=C(N/N=C/c1ccccc1)c1cccc(N2Cc3ccccc3C2)c1 59503616 DVYUIRMDMXTKDT-OEAKJJBVSA-N 341.414 3.971 50 40 EHGB Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccco2)cc1 58871649 FMWMAQHEEULBCY-FYJGNVAPSA-N 347.374 3.604 50 40 EHGB N#C/C(=C\c1c(Cl)nc2ccccn12)C(=O)Nc1ccccc1F 6948774 HIDVCHIJSCMGKT-PKNBQFBNSA-N 340.745 3.672 50 40 EHGB N#C/C(=C/c1ccc(OCC(N)=O)cc1)c1ccc(Cl)cc1Cl 408962614 IJABRKDKKVWYKN-GHXNOFRVSA-N 347.201 3.922 50 40 EHGB Cc1ccc(SC[C@@H](Cl)CSc2nc(C)cc(=O)[nH]2)cc1 36724546 OXFSUSDJHSOJGB-GFCCVEGCSA-N 340.901 3.879 50 40 EHGB Cc1ccc(/C=C\C(=N/NC(=O)c2ccccc2)[C@@H](C)CN(C)C)cc1 17174742 UKCRSDLYVLZMKP-JBNHNGGPSA-N 349.478 3.992 50 40 EHGB C/C(=N/NC(=O)Cn1ccc2ccccc21)c1ccc(Cl)cc1 4676510 NWZBMTWUXZBTKR-MOSHPQCFSA-N 325.799 3.835 50 40 EHGB COc1ccc(NC2=N[C@H]3CCC[C@@H](Br)[C@@H]3S2)cc1 5611658 OOJRPMYTTWBFHT-AGIUHOORSA-N 341.274 3.895 50 40 EHGB Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccsc2)cc1 481884 ZFPBNGVTTDVQQW-KRWDZBQOSA-N 348.431 3.769 50 40 EHGB N#CC(C#N)=C1C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21 1320703 GHLIMQINJOIAOQ-UHFFFAOYSA-N 333.778 3.730 50 40 EHGB Cc1ccc(-n2nc(C(=O)NN)cc2-c2ccc3ccccc3c2)cc1 408724107 FLJMXEGFWAEJKM-UHFFFAOYSA-N 342.402 3.604 50 40 EHGB COc1cccc2cc(C(=O)N/N=C/c3ccccc3Cl)oc12 408970332 GHMVUZCEUCMZBW-VXLYETTFSA-N 328.755 3.859 50 40 EHGB Cc1ccc(NC(=O)/C(C#N)=C2\C(=O)Nc3ccccc32)cc1Cl 408984334 IUBWCERBKRENRK-SSZFMOIBSA-N 337.766 3.516 50 40 EHGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\c2ccc(O)cc2)cc1 30802708 JADDGTMWLWPGFM-WRCYZNONSA-N 336.435 3.944 50 40 EHGB Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)o1 141804 QKBPSKBHXZCCCI-YRNVUSSQSA-N 331.169 3.896 50 40 EHGB Cc1nc2c(C)cccc2cc1C(=O)N/N=C/c1ccc(N(C)C)cc1 366282 NWDAXVNTLUKNPA-LPYMAVHISA-N 346.434 3.682 50 40 EHGB CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 2490653 VNJQJPORORMYHM-LJQANCHMSA-N 336.391 3.789 50 40 EHGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1 2769082 DSYHCKPVSOYZFG-CAPFRKAQSA-N 347.462 3.799 50 40 EHGB CCCOc1ccccc1/C=N/NC(=O)Cc1ccc(OCC)cc1 10475906 BKKKIORORVSUCU-RCCKNPSSSA-N 340.423 3.567 50 40 EHGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Cl)c1cc2ccccc2o1 33314099 HOWVLMKWCPKFRE-NVMNQCDNSA-N 343.726 3.758 50 40 EHGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(OC)cc1 409103415 GVORJMHINUGHRX-YBFXNURJSA-N 332.787 3.511 50 40 EHGB N#CCOc1ccccc1/C=N/NC(=O)c1ccc2ccccc2c1 52410926 RJRNVTLVWNRLFV-HYARGMPZSA-N 329.359 3.506 50 40 EHGB N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)C(=O)NC1CC1 53625142 FYKNSDYMFNOLKO-MHWRWJLKSA-N 336.366 3.590 50 40 EHGB C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1)c1cccs1 5752893 NZIUTDAPXJNEQK-CPNJWEJPSA-N 330.453 3.965 50 40 EHGB COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1 15220161 CAMDQKHOEUWHFH-BOPFTXTBSA-N 334.375 3.636 50 40 EHGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1 4524090 QJGABGRUTBZINC-AEOXGOBCSA-N 339.370 3.639 50 40 EHGB Cc1ccc(-n2cccc2/C=N\NC(=O)Cc2ccc(F)cc2)cc1 409233547 GGXXCQCJZLGWFH-HMAPJEAMSA-N 335.382 3.618 50 40 EHGB Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1ccccc1 260802 UNSUIBPIUUMHLY-LPYMAVHISA-N 335.382 3.997 50 40 EHGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1c[nH]c2ccccc12 4953593 LKHRMBMGCUNQAY-UKTHLTGXSA-N 346.346 3.930 50 40 EHGB CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)o1 408993378 DMSZESDWSMTLPY-NFECSFHCSA-N 345.468 3.757 50 40 EHGB COc1cc(/C=C(\CCCCl)C(=O)O)ccc1-n1cnc(C)c1 95079948 RPZYGMHUNNMHGS-RIYZIHGNSA-N 334.803 3.676 50 40 EHGB CCOc1cc(C)c(/C=N/NC(=O)c2ccccn2)cc1C(C)C 408850869 FAIRLUKSRHIODG-CIAFOILYSA-N 325.412 3.676 50 40 EHGB C/C(=N\NC(=O)CNc1ccc(F)cc1)c1cccc2ccccc12 409341677 FZGNWZOHORPVDE-OEAKJJBVSA-N 335.382 3.931 50 40 EHGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 512518 USJASLXTTPIDQA-XDHOZWIPSA-N 325.368 3.656 50 40 EHGB COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2)c2ccccc12 358213 FVHPJOIOUXKIRS-LPYMAVHISA-N 348.402 3.686 50 40 EHGB CCC(=O)NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1 13010814 QUKRAPFTUOCPOG-UHFFFAOYSA-N 348.402 3.590 50 40 EHGB O=C(N/N=C(/CC(=O)c1cccs1)C(F)(F)F)c1ccccc1 5601327 GSCOFFBNXGGETR-UYRXBGFRSA-N 340.326 3.669 50 40 EHGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N(C)C)o2)cc1Cl 408982433 DNJDARLHGBDYMY-WQLSENKSSA-N 329.787 3.853 50 40 EHGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(N)=O)cc2Cl)c1 408885668 DQCJJUKOBACJOM-LZYBPNLTSA-N 340.810 3.928 50 40 EHGB Cc1ccc(CC(=O)N/N=C/c2ccc(Br)cc2)cc1C 409172439 ICCOMBXXPXIQTD-YBFXNURJSA-N 345.240 3.759 50 40 EHGB O=C(N/N=C\c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 31628908 XTXXYGLJPLHYKV-MXYCIJPUSA-N 335.194 3.661 50 40 EHGB CC(C)Oc1ccccc1/C=C(\C#N)C(=O)c1ccc2c(c1)OCO2 44028879 ICTVPPLPTNJHPR-CXUHLZMHSA-N 335.359 3.992 50 40 EHGB N#C/C(=C\Nc1ccc(F)cc1Cl)S(=O)(=O)c1ccccc1 44842274 GJNIPZVDUWUPGG-JLHYYAGUSA-N 336.775 3.730 50 40 EHGB C[C@@H](I)CC(F)(F)C(F)(F)Br 627281262 BDIJCGIVGYSBOS-GSVOUGTGSA-N 348.903 3.823 50 40 EHGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\c2ccc(O)cc2)cc1 30802698 JADDGTMWLWPGFM-ICAYWSFESA-N 336.435 3.944 50 40 EHGB O=C(NNc1ccc(F)cc1)c1ccc(OCc2cccnc2)cc1 32796872 QTVYRUQYXLKMBS-UHFFFAOYSA-N 337.354 3.557 50 40 EHGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(Cl)cc2)c1C 18209513 XOCBTICUPUVODX-KEBDBYFISA-N 330.815 3.794 50 40 EHGB COc1ccc(N2C=C(C#N)S(=O)(=O)c3ccccc32)cc1Cl 38488020 WCSXNNPFRXDMPO-UHFFFAOYSA-N 346.795 3.639 50 40 EHGB O=P(CCCO[C@@H]1CCCCO1)(c1ccccc1)c1ccccc1 72399765 QJDKEWQRFWUBTB-HXUWFJFHSA-N 344.391 3.934 50 40 EHGB in-vitro O=C(Nc1ccccc1)ON1C(=O)c2ccccc2O[C@@H]1CCCl 160897 VRSKQVVJNBPELK-OAHLLOKOSA-N 346.770 3.640 50 40 EHGB COC(=O)c1c(-c2ccccc2)csc1NC(=O)OCCCl 2380496 NFSQIHPHZKDJTI-UHFFFAOYSA-N 339.800 3.989 50 40 EHGB Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)O)cc3)[nH]c2cc1C 107941004 IEIUIZODOVLDJV-OQLLNIDSSA-N 347.374 3.707 50 40 EHGB CCn1ncc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C 17072345 IPTZSQMDLINQRZ-KPKJPENVSA-N 348.328 3.776 50 40 EHGB Cc1cccc(C(=O)N/N=C\c2ccc(-c3ccccc3C(=O)O)o2)c1 408874027 XSXFECULPWFDMT-MTJSOVHGSA-N 348.358 3.717 50 40 EHGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(F)c2)cc1 408780765 JXWXDSYXYKKNQQ-YVLHZVERSA-N 338.382 3.836 50 40 EHGB COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 408598882 KREYXJUNIHFMFH-UDWIEESQSA-N 349.346 3.521 50 40 EHGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2 408892662 DIIXJYXBYCJOJN-NTUHNPAUSA-N 340.766 3.923 50 40 EHGB Cc1cc(/C=N/NC(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 408738242 SLQKIVZYVMACCC-LPYMAVHISA-N 335.382 3.997 50 40 EHGB O=C(COc1cc(Cl)ccc1Cl)N/N=C/c1ccc(F)s1 252498663 RHSGQSCPOUAIBO-UBKPWBPPSA-N 347.198 3.723 50 40 EHGB Cc1cc(Cl)nc(N/C=C(\C#N)C(=O)c2ccccc2Cl)n1 96307517 NVWUSBFKKCEMBA-CSKARUKUSA-N 333.178 3.794 50 40 EHGB Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/c2ccco2)cc1 60278 UVICUSHPNVBADC-FYJGNVAPSA-N 347.374 3.604 50 40 EHGB CC/C(=N\NC(=O)c1ccc(Br)cc1)c1ccccc1 13111824 VBRDKBXMPZEZLC-OBGWFSINSA-N 331.213 3.993 50 40 EHGB O=C(/C=C/c1cnccn1)NNc1c(Cl)cc(Cl)cc1Cl 89884814 ZTQVNZUGUNRNCM-OWOJBTEDSA-N 343.601 3.593 50 40 EHGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)c(Cl)c2)c1 408787401 ZJPQDVGQVRKJQR-JYRVWZFOSA-N 342.782 3.990 50 40 EHGB NC(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 13747760 FQXWHZPNVCOZMQ-UFWORHAWSA-N 338.194 3.575 50 40 EHGB Cc1cc(Br)c(C)c2sc(NC(=O)CCl)nc12 20131753 KFCTZAZOHWLFSI-UHFFFAOYSA-N 333.638 3.853 50 40 EHGB CCOc1cccc2sc(NNC(=O)c3c(F)cccc3F)nc12 4121334 BMJIRKZGFIXOAS-UHFFFAOYSA-N 349.362 3.730 50 40 EHGB O=C(CCl)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1O 51330553 FDICSUMKBKNRSF-HNNXBMFYSA-N 349.217 3.962 50 40 EHGB Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C)o2)cc1 351852 IICOMBXZPLOYOG-SFHVURJKSA-N 346.390 3.609 50 40 EHGB CC[C@H](C)Oc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1 409233939 ISPJKBIEULXBJW-DTHVTWRFSA-N 328.387 3.696 50 40 EHGB O=C(NNc1c2ccccc2nc2ccccc12)c1cccc(O)c1 4151263 VHHTZUBTBGEYHG-UHFFFAOYSA-N 329.359 3.851 50 40 EHGB Cc1ccc(Sc2oc(-c3ccc(C)cc3)nc2C(=O)NN)cc1 41154448 HLAQONUAVCRVMZ-UHFFFAOYSA-N 339.420 3.713 50 40 EHGB CCCOc1cccc(/C=N/NC(=O)c2ccc(OCC)cc2)c1 20764587 NXEOMJJCYHHQCI-XSFVSMFZSA-N 326.396 3.638 50 40 EHGB N#C/C(=C\c1cccc(OCC(N)=O)c1)c1ccc(Cl)cc1Cl 408578730 AMOMVDBRIWNDNP-WUXMJOGZSA-N 347.201 3.922 50 40 EHGB C=CCc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(OC)c1O 408542631 MQUBYRQYQHBKQN-YVLHZVERSA-N 335.359 3.892 50 40 EHGB Cc1cc(C)cc(O[C@@H](C)C(=O)N/N=C\c2ccc(Cl)cc2)c1 31776135 OIRLXQYPHSURRP-GNKPEBMXSA-N 330.815 3.874 50 40 EHGB O=[P@]1(N(CCCl)CCCl)Oc2cccc3c2N1CCC3 2046692 ZTFDKPXTHYFQHD-HXUWFJFHSA-N 335.171 3.719 50 40 EHGB COc1cccc(/C=N/NC(=O)c2ccc3ccccc3c2)c1OC 478828 QEYFCBHREHAYIU-FYJGNVAPSA-N 334.375 3.621 50 40 EHGB N#C/C(=C/c1cccn1-c1ccccc1)C(=O)NCc1ccccc1 59249540 KMDFBKUYCZJCRU-JXAWBTAJSA-N 327.387 3.701 50 40 EHGB Cc1ccsc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 3903299 QZUGWDWACCSEFZ-CYBMUJFWSA-N 334.404 3.665 50 40 EHGB O=C(NNC(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1 5012586 SFJGBSNNEGPHRL-UHFFFAOYSA-N 340.766 3.675 50 40 EHGB COc1cccc(C=C(C#N)C#N)c1OCc1ccc([N+](=O)[O-])cc1 409076877 CESWOUOWOLLBOC-UHFFFAOYSA-N 335.319 3.613 50 40 EHGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(OC(C)C)cc1 408911215 JLMOOXPZNJMJNJ-CIAFOILYSA-N 340.423 3.620 50 40 EHGB CCC[C@@H](Br)C(=O)Nc1nc2c(F)cccc2s1 20132816 UDHSKJDXMKKUDU-SSDOTTSWSA-N 331.210 3.938 50 40 EHGB Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccsc2)cc1 481885 ZFPBNGVTTDVQQW-QGZVFWFLSA-N 348.431 3.769 50 40 EHGB N#C/C(=C/c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 33466975 URUHWHSQYYNDDG-GDNBJRDFSA-N 348.221 3.787 50 40 EHGB COc1ccc(/C(C)=N/NC(=O)c2cccc(Br)c2)cc1 4579681 GSAMAOKZXCXZEN-WOJGMQOQSA-N 347.212 3.612 50 40 EHGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccn3)c2C)cc1 409228939 HLFICGZQKZASNY-LPYMAVHISA-N 332.407 3.561 50 40 EHGB C#CCOc1cccc(/C=N/NC(=O)c2ccc3ccccc3c2)c1 408598697 IQJVYRYEIZQJKS-PXLXIMEGSA-N 328.371 3.616 50 40 EHGB COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1 28617319 MDQKOAIBVKJLSB-BOPFTXTBSA-N 334.375 3.636 50 40 EHGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)c(Cl)c2)cc1 67006096 VKULMPBTPLSGJG-WQLSENKSSA-N 328.755 3.600 50 40 EHGB COc1cccc2cc(C(=O)N/N=C/c3c[nH]c4ccccc34)oc12 408970492 AGEHZUKMHXFGHX-SRZZPIQSSA-N 333.347 3.687 50 40 EHGB C[C@H](Br)C(=O)c1ccc(OC(=O)c2ccccc2)cc1 5641324 RVZGNNYQEQMALE-NSHDSACASA-N 333.181 3.872 50 40 EHGB O=C(N/N=C/c1ccc(N2CCCCC2)o1)c1ccc(Cl)cc1 5569442 UGMHSYJGKHFZSU-XDHOZWIPSA-N 331.803 3.687 50 40 EHGB C=CCOC(=O)/C(C#N)=C/c1cc(C)c(OCc2ccccn2)c(C)c1 36834885 VESXOOGEHJSYCE-LDADJPATSA-N 348.402 3.914 50 40 EHGB CC(C)=C[C@H]1[C@H](C(=O)NNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C1(C)C 1690177 UDEJFMBJNZQIFL-YHUYYLMFSA-N 332.488 3.611 50 40 EHGB CCOc1ccc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)cc1 12844007 YCADJJAYGWSKQP-CIAFOILYSA-N 340.423 3.540 50 40 EHGB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)OC(C)C 8321474 JORFBXKHBXWJDD-XYOKQWHBSA-N 347.777 3.832 50 40 EHGB COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(Cl)c1O 409366568 WHGKDFYWFHIVHO-QCDXTXTGSA-N 329.739 3.847 50 40 EHGB COc1cccc2c(/C=C(\C#N)C(=O)N(C)C)c(-c3ccccc3)[nH]c12 408848697 XURPRPUAFHKIBY-NTCAYCPXSA-N 345.402 3.839 50 40 EHGB CC/C(=N\NC(N)=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 67299906 GRXZAFRSSKHTNC-RGVLZGJSSA-N 325.290 3.748 50 40 EHGB CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccc(O)cc3)cc21 208437589 QSPBRTJOMCYLFE-LPYMAVHISA-N 349.434 3.788 50 40 EHGB COc1cccc(C(=O)NNc2nc3c(C)c(C)ccc3s2)c1 429770 TXTSAJYBUUTMQD-UHFFFAOYSA-N 327.409 3.679 50 40 EHGB COc1cc(/C=C(\C#N)C(=O)c2sccc2C)ccc1OCC#N 44028525 WXVGKQJXQNIDCZ-NTEUORMPSA-N 338.388 3.757 50 40 EHGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cccc(Br)c1 5677715 ILBXUJRFLDGOKY-QUYNDJIQSA-N 335.245 3.726 50 40 EHGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1 408735056 NGKKYWLFPULESN-WUXMJOGZSA-N 326.739 3.614 50 40 EHGB CO[C@@H]1CN(C(=O)/C(C#N)=C/C(C)C)CC[C@@H]1Cc1cccc(C)c1 585288974 CDZOBQXEATVWDH-WLLOZCJNSA-N 340.467 3.507 50 40 EHGB CCOC(=O)/C(C#N)=C/c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 5598072 RYFFRRIWJAENIE-UKTHLTGXSA-N 340.335 3.942 50 40 EHGB CCN(NC(=O)c1ccccc1Cl)c1cc(C)c(C#N)c(Cl)n1 12411826 LITLJHSYZHSTTG-UHFFFAOYSA-N 349.221 3.740 50 40 EHGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1cccc(F)c1 3153515 VWTGAPNCXPBUAI-CNHKJKLMSA-N 327.142 3.602 50 40 EHGB O=C(CCl)Nc1nc(-c2cccc(Br)c2)cs1 3272866 WRQKOPPXXLHJMR-UHFFFAOYSA-N 331.622 3.750 50 40 EHGB C[C@@H]1Cc2cc(/C=N\NC(=O)c3cccc4ccccc34)ccc2O1 408710785 KJDHITZPIQANHB-BXSODOALSA-N 330.387 3.927 50 40 EHGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OC 5953715 FLUQJXOYNRAXLJ-GXDHUFHOSA-N 340.354 3.779 50 40 EHGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)c1 408740376 FWZIXIYDYBUXFR-GXDHUFHOSA-N 337.335 3.539 50 40 EHGB Cc1cc2nc(/C(C#N)=C/c3ccccc3OCC(=O)O)[nH]c2cc1C 33741704 DJQBULLBISWNIU-OQLLNIDSSA-N 347.374 3.707 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1O 44027063 NJMJQORTTQCEFS-WUXMJOGZSA-N 336.322 3.811 50 40 EHGB O=C(N/N=C1/C[C@@H]2CC=C[C@@H]12)c1ccc(COc2ccccc2)cc1 36234943 RCGUBUHAAHJUQJ-TXLMMCQASA-N 332.403 3.947 50 40 EHGB N#CC1=CN(c2cccc(Cl)c2F)c2ccccc2S1(=O)=O 38487995 UZIMMCCJTNLHOS-UHFFFAOYSA-N 334.759 3.769 50 40 EHGB CC/C(Cc1ccccc1)=N/NC(=O)[C@@H](C)Nc1ccccc1OC 4619285 NYKSTTPHHJWEMC-XQEBGNCTSA-N 339.439 3.621 50 40 EHGB N#C/C(=C/c1c(F)cccc1Cl)C(=O)Nc1cccc(C(=O)O)c1 408543072 OQWXPMPBXAHYOK-FLIBITNWSA-N 344.729 3.723 50 40 EHGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1 409055612 ZVTKFSQDKHCEMZ-UDWIEESQSA-N 328.799 3.977 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc1 408811696 KOVMTKSCHUBTNZ-UKTHLTGXSA-N 342.782 3.903 50 40 EHGB N#CC1=C(SCc2ccc(F)cc2)NC(=O)C[C@H]1c1ccco1 409128145 RRQTVTDVEAADJH-CYBMUJFWSA-N 328.368 3.691 50 40 EHGB CC/C(=N\NC(=O)CCc1ccccc1)c1ccc(OC)c(OC)c1 409131865 YQNYPRNHSYXTSM-HEHNFIMWSA-N 340.423 3.567 50 40 EHGB COC1(C)c2ccccc2P(=O)(c2ccccc2)c2ccccc21 96171609 ORSDLDSBEFYNIT-UHFFFAOYSA-N 334.355 3.549 50 40 EHGB CC(C)(C)c1ccc(C(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 105763220 NUCQJBBTGVZAIE-CWRNSKLLSA-N 328.456 3.571 50 40 EHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(C)c2)cc1 16440088 HESATOYLBQFQCT-SFQUDFHCSA-N 334.375 3.717 50 40 EHGB COc1ccc2nc(NC(=O)[C@@H](Br)C(C)C)sc2c1 19803619 BNJYALLNBWGKPZ-NSHDSACASA-N 343.246 3.663 50 40 EHGB NNC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 1405126 DEOCQVAUZKNFQQ-UHFFFAOYSA-N 343.355 3.647 50 40 EHGB Cc1ccc(O)c(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)c1 23410968 XUAXFZSUXQRYKK-CIAFOILYSA-N 340.423 3.527 50 40 EHGB O=C(NNC(=O)c1ccccc1Oc1ccccc1)c1ccccc1 12892253 JFUCNHKZYLYLRA-UHFFFAOYSA-N 332.359 3.554 50 40 EHGB C[C@@H]1Cc2cc(/C=N\NC(=O)Cc3cccc4ccccc34)ccc2O1 408710913 WCORNHJGXRTVCK-JNCAFBRLSA-N 344.414 3.856 50 40 EHGB O=C(NNc1c2ccccc2nc2ccccc12)[C@H](O)c1ccccc1 4151273 VFVJSUMRIATWBP-HXUWFJFHSA-N 343.386 3.565 50 40 EHGB O=C(CCl)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 4204481 XWRHQDCSYNDPNC-CYBMUJFWSA-N 328.755 3.942 50 40 EHGB COc1ccc(-n2cccc2/C=N\NC(=O)Nc2cccc(C)c2)cc1 408853389 RVYNPCNDWDESBB-STZFKDTASA-N 348.406 3.950 50 40 EHGB COc1ccc(Cl)cc1/C=C/C=N\NC(=O)c1cccc(C)c1O 16923169 SUGXKZVTAOBFRX-GRJRDJAOSA-N 344.798 3.792 50 40 EHGB C/C(=N/NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1)c1ccc(C)cc1 13619211 MTVLOUQUFMKZIU-QNGOZBTKSA-N 332.407 3.848 50 40 EHGB COC(=O)C1=C(C)NC(SC)=C(C#N)[C@H]1c1ccccc1Cl 20348175 MHSVWJJYCCSEAQ-CQSZACIVSA-N 334.828 3.572 50 40 EHGB Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2)C(C#N)=C(N)O3)cc1 51331066 LQMBJBVPPOQPTH-MRXNPFEDSA-N 328.375 3.603 50 40 EHGB O=C(NNc1cccc(C(F)(F)F)c1)c1cncn1-c1ccccc1 60553425 XPUKKUHTIARCCW-UHFFFAOYSA-N 346.312 3.648 50 40 EHGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)o1 408804657 ZISNAVYGQJMYCY-MHGUYXCUSA-N 341.455 3.872 50 40 EHGB Cc1cccc(NC(=O)c2cccc(NC(=O)CBr)c2)c1 35605429 TUVLMNKJVLQAKD-UHFFFAOYSA-N 347.212 3.581 50 40 EHGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 301067 SKOSLWDORPNKBI-UDWIEESQSA-N 349.346 3.521 50 40 EHGB Cc1ccc2nc(NNC(=O)c3nc4ccccc4s3)sc2c1 4121383 QZGWKXDNTIBBCK-UHFFFAOYSA-N 340.433 3.971 50 40 EHGB N#C/C(=C/c1ccc(Br)o1)Cn1cnc2ccccc21 408691608 IGAQQHKIKFDSGU-XFFZJAGNSA-N 328.169 3.999 50 40 EHGB C[C@H](COc1ccc(C(C)(C)C)cc1)O[S@@](=O)OCCCl 3875915 YKFRAOGHWKADFJ-XUSGNXJCSA-N 334.865 3.602 50 40 EHGB in-vitro CCCCCCCCNC(=O)/C(C#N)=C\c1ccc(OC)c(O)c1 105407953 IWONRHIYYUYNMX-VBKFSLOCSA-N 330.428 3.784 50 40 EHGB Cc1ccc(NCC(=O)NN=C2c3ccccc3-c3ccccc32)cc1 7009561 RJKHRRKAHASZJV-UHFFFAOYSA-N 341.414 3.956 50 40 EHGB COc1cccc(C(=O)N/N=C/c2ccc(-c3ccccc3C#N)o2)c1 409080314 NAAHUWYGEULGHB-LPYMAVHISA-N 345.358 3.591 50 40 EHGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(OC)c2)cc1 408885271 YLSBNCPUCHJOGG-NTUHNPAUSA-N 342.782 3.903 50 40 EHGB CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccnc2)c1C 408965877 JOVKATQJPUFECQ-OEAKJJBVSA-N 346.434 3.815 50 40 EHGB N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)c1ccc2c(c1)OCO2 44028911 OLJUYUDDGCMQLL-QPEQYQDCSA-N 343.285 3.807 50 40 EHGB N#C/C(=C/c1cccc(O)c1)C(=O)Nc1cccc(C(F)(F)F)c1 6471654 LICMHFUPCMJUQZ-GHXNOFRVSA-N 332.281 3.957 50 40 EHGB CCCC/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 5308076 AABVUBOFLYEMAV-ZZEZOPTASA-N 339.395 3.848 50 40 EHGB N#CSc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c(Cl)c1 13467628 UXDJXEATPJSIPE-GHMZBOCLSA-N 336.800 3.519 50 40 EHGB O=C(NNC(=O)c1sc2ccccc2c1Cl)c1cccc(F)c1 7986926 VDRHCSUJXIVFQK-UHFFFAOYSA-N 348.786 3.769 50 40 EHGB CCn1cccc1/C=N\NC(=O)COc1ccc(-c2ccccc2)cc1 408931268 JHQQJUTZRCKWIT-JCMHNJIXSA-N 347.418 3.704 50 40 EHGB CC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)N3CCCC3)o2)cc1 409369077 AKDRVAANUQDBRO-SFQUDFHCSA-N 334.375 3.679 50 40 EHGB Cc1cccc(OCC(=O)N/N=C\c2ccc3ccccc3c2)c1C 30838808 RIRIDDTUYZJPRY-XKZIYDEJSA-N 332.403 3.986 50 40 EHGB CCc1cc(C)cc(OCC(=O)N/N=C\c2ccc(Cl)s2)c1 408967163 QEYUHNBEEFAOPN-NVMNQCDNSA-N 336.844 3.801 50 40 EHGB CSc1ccc(/C=N/NC(=O)COc2cc(C)cc(C)c2)cc1 5539336 FEIKPBPBYKPVCU-YBFXNURJSA-N 328.437 3.554 50 40 EHGB N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1 447388 BOCIBNVULGSWFC-OQLLNIDSSA-N 330.309 3.929 50 40 EHGB O=C(CCCCCC(=O)NN=C1CCCCC1)NN=C1CCCCC1 4647010 YNJWSNFYRPLQOO-UHFFFAOYSA-N 348.491 3.810 50 40 EHGB O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)c1cccnc1 33314663 RTZWNSIXMIXFEM-JAIQZWGSSA-N 325.755 3.759 50 40 EHGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OC)c1O 195288203 QUPKXMWDTDMRAM-LFIBNONCSA-N 334.375 3.675 50 40 EHGB C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(N2CCCCC2)o1 17067543 XRYUZVYHIWWEGC-FEILZWRBSA-N 329.444 3.546 50 40 EHGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1 3266464 RKDXDBJCNCIXLV-XYOKQWHBSA-N 327.727 3.794 50 40 EHGB COc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(F)cc2)o1 10002846 XYWCDTUIUVJUPT-CIAFOILYSA-N 338.338 3.858 50 40 EHGB C/C(=N\NC(=O)c1cccc(Br)c1)[C@@H]1C[C@H]2CC[C@@H]1C2 4646845 CXZXCGNXJUJTER-OSQKBVKDSA-N 335.245 3.991 50 40 EHGB N#C/C(=C\c1cc2c(cc1Br)OCO2)c1ccccn1 7155338 FXARFYWVUHSYOL-VZUCSPMQSA-N 329.153 3.637 50 40 EHGB COc1cccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 148344 TUIVVYYLNRJUNM-MHWRWJLKSA-N 333.796 3.687 50 40 EHGB COc1ccccc1C(=O)/C(C#N)=C\c1ccc(O[C@H](C)C#N)cc1 103250450 DCQXDPHIJBOPLE-VQCBNXJZSA-N 332.359 3.776 50 40 EHGB CCCCCCCCC(=O)N/N=C1/C(=O)Nc2ccc(Cl)cc21 2756300 BOUPQDAAZHMMLV-UHFFFAOYSA-N 335.835 3.863 50 40 EHGB O=C(NN(Cc1ccccc1)c1ccccc1)[C@H]1Cc2ccccc2O1 32255812 HJKPETRKNMZUPW-OAQYLSRUSA-N 344.414 3.728 50 40 EHGB COc1ccc(N(CC2CCCCC2)C(=O)CCl)cc1OC 199757177 AKLOAXCFSXMKTK-UHFFFAOYSA-N 325.836 3.856 50 40 EHGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)cc1 5744481 XLEVYAZJRSHTQS-CIAFOILYSA-N 338.338 3.858 50 40 EHGB COc1cccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c1 101675787 JVODYNTZDIVVEJ-NVNXTCNLSA-N 328.375 3.704 50 40 EHGB CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2cccc3ncccc23)cc1 3288861 SGOOSEONIKCMEB-DTQAZKPQSA-N 342.402 3.846 50 40 EHGB COc1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1 2082744 IVKIWENBGYGZLA-XQNSMLJCSA-N 344.414 3.977 50 40 EHGB CN(C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 4723457 JZCGVHPAQJDFFN-JXMROGBWSA-N 345.742 3.503 50 40 EHGB CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CC3)c2C)cc1 6934987 PCDHCCLYKMFRDM-SFQUDFHCSA-N 349.434 3.678 50 40 EHGB COc1cc(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2)c1O 408741714 KTGYXNBFDIQIMQ-GHXNOFRVSA-N 328.755 3.600 50 40 EHGB CCCCCC(/C=N\NC(=O)c1ccc[n+](C)c1)=C/c1ccccc1 31949358 RBLBPBWLECHEIL-DRCXVQOOSA-O 336.459 3.891 50 40 EHGB CC(C)N1c2ccc(/C=N/NC(=O)CC#N)cc2[C@H](C)CC1(C)C 260562782 BUUDJYUJJTUBCA-STCDJXRXSA-N 326.444 3.551 50 40 EHGB O=C(N/N=C/c1ccc(O)cc1O)c1ccc(-c2ccccc2)cc1 342732 IAWZHJKLBJQAIY-FYJGNVAPSA-N 332.359 3.529 50 40 EHGB CC(=O)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 4083296 ZMLDBPYROKKFBL-KEBDBYFISA-N 325.799 3.813 50 40 EHGB CCCCSC1=C(C#N)[C@H](c2ccc(OC)c(OC)c2)CC(=O)N1 12276340 DGGDXAQPAFKYKV-ZDUSSCGKSA-N 346.452 3.576 50 40 EHGB COc1cc(/C=C(\C#N)c2ccccn2)ccc1OC(=O)c1ccco1 7155256 SSWYEEZRSOVFQD-RVDMUPIBSA-N 346.342 3.967 50 40 EHGB COc1ccc(-c2nc(C(C#N)=C(SC)SC)no2)cc1OC 67172684 WWLKNWHIDZMBCZ-UHFFFAOYSA-N 349.437 3.672 50 40 EHGB CCCn1c(C)cc(/C=C(\C#N)C(=O)NCC2(C3CC3)CC2)c1C 98053084 QYUZUOMWWHYCME-GZTJUZNOSA-N 325.456 3.728 50 40 EHGB CCOc1ccc(/C=N/NC(=O)COc2c(C)cc(C)cc2C)cc1 349584 RZZUXIVHOYGMCE-CIAFOILYSA-N 340.423 3.540 50 40 EHGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccncc1 564193 MXTXPYIBLQEBLR-YDZHTSKRSA-N 349.365 3.564 50 40 EHGB O=C(N/N=C/C(c1ccccc1)c1ccccc1)c1ccc(O)cc1 4978185 YIKMEJFOHWNQCR-PXLXIMEGSA-N 330.387 3.940 50 40 EHGB O=C(NNC(=O)c1cccs1)c1ccc(-c2ccc(Cl)cc2)o1 16430549 BUUYQYBLGGKLLW-UHFFFAOYSA-N 346.795 3.736 50 40 EHGB Nc1ccccc1C(=O)N/N=C/c1c(Cl)ccc(Cl)c1Cl 130645 BRSGURIULWIPAL-FBCYGCLPSA-N 342.613 3.993 50 40 EHGB CCOc1ccccc1[C@H]1[C@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 135393 MRKJHEIPOFKYRM-HNAYVOBHSA-N 344.418 3.679 50 40 EHGB COc1cccc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)c1 20240346 KICYIFRVSOCRCW-RGVLZGJSSA-N 342.464 3.696 50 40 EHGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(O)c(Cl)c1 409252400 RQUAAQSSNUKLJO-UWVJOHFNSA-N 341.169 3.531 50 40 EHGB O=C(N/N=C\c1cccc(Br)c1)c1ccc(Cl)cc1 30822083 RQUXMJDPLOWZFR-MFOYZWKCSA-N 337.604 3.866 50 40 EHGB Cc1nc2ccccn2c1C(=O)N/N=C/c1cccc(Cl)c1Cl 7041538 OCZUVIKXZFTQOA-DJKKODMXSA-N 347.205 3.713 50 40 EHGB Cc1c(CCl)c(=O)oc2c(C)c3occ(CCl)c(=O)c3cc12 1629589 SVYPQUMTTHYNPL-UHFFFAOYSA-N 339.174 3.994 50 40 EHGB N#CC1=C(S)N(c2ccccc2)[C@@H](c2ccc(Cl)cc2)NC1=O 550686 RTJMPPUHWNLRIP-HNNXBMFYSA-N 341.823 3.640 50 40 EHGB COc1ccc(N(C(=O)CCCl)[C@@H](C#N)c2ccccc2)cc1 2320093 OMECQIRTYCIZSI-KRWDZBQOSA-N 328.799 3.922 50 40 EHGB CCOc1cccc(/C=N/NC(=O)Cc2cccc3ccccc23)c1 408586036 AUNLQGVQRBUPBV-PXLXIMEGSA-N 332.403 3.931 50 40 EHGB O=C(NNc1ccc(C(=O)O)cc1)Nc1ccc(Cl)c(Cl)c1 5673048 UNPKJOQDTSAWEJ-UHFFFAOYSA-N 340.166 3.840 50 40 EHGB C/C(=N/NC(=O)c1cccc2ccccc12)c1cccc([N+](=O)[O-])c1 5888174 VHUVEWJIFQCKMH-MOSHPQCFSA-N 333.347 3.902 50 40 EHGB O=C(COc1ccc(Cl)cc1)N/N=C\c1c(F)cccc1Cl 12363770 WFESAESMCAFWMI-UWVJOHFNSA-N 341.169 3.662 50 40 EHGB Cc1[nH]c2ccccc2c1/C=C(/C#N)C(=O)NCCc1ccccc1 17067491 YZFFWHIRAZMELD-LGMDPLHJSA-N 329.403 3.742 50 40 EHGB O=C(N/N=C/c1cccc(Br)c1)c1ccccc1Cl 61827 POXURQBWMHYGHE-RQZCQDPDSA-N 337.604 3.866 50 40 EHGB N#CC(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)=C1Nc2ccccc2N1 547314 ADEYKCXWLKYLGW-UHFFFAOYSA-N 340.726 3.704 50 40 EHGB COc1ccc(-n2c(SCCCl)nnc2-c2ccncc2)cc1 1581251 PJYHQTSRBPKVJA-UHFFFAOYSA-N 346.843 3.669 50 40 EHGB C[C@@H](C(=O)Cl)n1nc(C(F)(F)F)c(Br)c1C1CC1 2537780 SETZAPQZAMNLKR-BYPYZUCNSA-N 345.546 3.868 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1OC 5475813 YNAOVPNCVVCOAL-YBFXNURJSA-N 332.787 3.511 50 40 EHGB COc1ccccc1/C=N/NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 59473633 JQOIJWYDHOYMGH-ZGXHQARYSA-N 348.855 3.980 50 40 EHGB N#C/C(=C/c1c(O)ccc2ccccc12)C(=O)NCCc1ccccc1 223168165 MGVBCRBSIOIFTN-JXAWBTAJSA-N 342.398 3.811 50 40 EHGB O=C(N/N=C/c1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 408965260 VCPATNWGFGUFOB-GIJQJNRQSA-N 343.726 3.758 50 40 EHGB C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1O 4498940 HBNSXEQXWBJEED-KGENOOAVSA-N 340.423 3.609 50 40 EHGB Cc1ccc(C)c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 6949148 SFDZMVDXPGRHJK-UHFFFAOYSA-N 348.855 3.510 50 40 EHGB CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)c1 8846159 STADPNFYANKONY-HXUWFJFHSA-N 349.434 3.912 50 40 EHGB C[C@@H](Cl)C(=O)Nc1nc2c(Br)cc(F)cc2s1 20131978 SDGNAWGQHDRSOK-SCSAIBSYSA-N 337.601 3.764 50 40 EHGB C/C(=N\NC(=O)c1cccc(Br)c1)[C@@H]1C[C@H]2CC[C@H]1C2 105395108 CXZXCGNXJUJTER-APUSCSCASA-N 335.245 3.991 50 40 EHGB NC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 408886294 FYJXXOAOYJQXBY-UFWORHAWSA-N 338.194 3.575 50 40 EHGB O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2)c1sc2ccccc2c1Cl 1226016 LAZRVSMNESJTSW-HOSYDEDBSA-N 348.855 3.752 50 40 EHGB O=C(O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1Br 1712181 HYAYFCQYLQCRPU-QDIHITRGSA-N 329.193 3.742 50 40 EHGB CC(C)CNC(=O)CCc1ccc(N(CCCl)CCCl)cc1 1727165 OPBOZRBXEITUNB-UHFFFAOYSA-N 345.314 3.675 50 40 EHGB C/C(=N\NC(=O)CSc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 8515552 SALQXTPHIFLWLU-QGOAFFKASA-N 343.408 3.536 50 40 EHGB O=C(Nc1ccccc1-c1nc(-c2ccccn2)no1)C(Cl)Cl 60017027 APDVRIMEDXBCLS-UHFFFAOYSA-N 349.177 3.541 50 40 EHGB NC(=O)N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1 408890975 JIXQWCWEWVSWSL-UFWORHAWSA-N 338.194 3.575 50 40 EHGB CCOc1cc(C(=O)NN=C2CCCC2)cc(OCC)c1OCC 6047783 FZHIDJZNVURPOW-UHFFFAOYSA-N 334.416 3.543 50 40 EHGB C=CCn1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)c2ccccc21 409379913 CARJIKXIHQFPDQ-LFIBNONCSA-N 330.391 3.888 50 40 EHGB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)C(C#N)=C(O)O2 408732226 PPXTUYOSIXAPJY-SFHVURJKSA-N 329.359 3.998 50 40 EHGB O=C(N/N=C/C1=C(c2ccccc2)[C@@H]2C=C[C@H]1C2)c1ccccc1O 4539594 ZHJSRWVYYUMRRG-KJCXBIGCSA-N 330.387 3.768 50 40 EHGB COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C#N)cc1 3187938 DWDMTYMSKDRDMT-UHFFFAOYSA-N 326.359 3.978 50 40 EHGB CC1(C)[C@@H](CBr)CC[C@@]1(C)C(=O)NNc1ccccc1 3845905 CXYGIFJYNOBCOE-WBMJQRKESA-N 339.277 3.967 50 40 EHGB biogenic Cc1ccc(-c2ccc([C@H]3C(C#N)=C(N)Oc4n[nH]c(C)c43)o2)cc1 9324718 XPFYZPQFFRMZKY-QGZVFWFLSA-N 332.363 3.505 50 40 EHGB N#C/C(=C\c1cccc(O)c1)C(=O)Nc1ccccc1C(F)(F)F 32790978 KHMFPFLDOXTGFZ-XYOKQWHBSA-N 332.281 3.957 50 40 EHGB N#C/C(=C/c1cccc(O)c1)C(=O)Nc1ccccc1C(F)(F)F 72120180 KHMFPFLDOXTGFZ-WQLSENKSSA-N 332.281 3.957 50 40 EHGB C/C(=N/NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(O)cc1O 95483001 AEGJWEDIFNYMQN-NDENLUEZSA-N 326.396 3.549 50 40 EHGB CCN1c2cc(C)c(/C=C(/C#N)C(=O)NC)cc2[C@@H](C)CC1(C)C 223581798 QHHKDADEYWVMEL-CIKBWMHTSA-N 325.456 3.760 50 40 EHGB O=C1C=C(NNC(=O)c2ccc(Cl)cc2)C[C@@H](c2ccccc2)C1 1091156 WYRGXWWCEDMLLM-OAHLLOKOSA-N 340.810 3.605 50 40 EHGB COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)c1ccsc1 44027983 WXCCNSWEFQXHIM-AWNIVKPZSA-N 329.377 3.564 50 40 EHGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 349224 YUMQYNXLIQFTSK-UDWIEESQSA-N 349.346 3.521 50 40 EHGB O=C(N/N=C(/c1ccccc1)c1ccccn1)c1ccccc1Cl 369664 CZUSCKWTXPKQFZ-PYCFMQQDSA-N 335.794 3.917 50 40 EHGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1cccc(O)c1 408719577 XJHSYDOLDOLBDE-WOJGMQOQSA-N 334.828 3.678 50 40 EHGB CCOc1cc(C=C(C#N)C#N)ccc1OCCOc1ccccc1 4182049 ZASAKPBCVQXAQY-UHFFFAOYSA-N 334.375 3.974 50 40 EHGB Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C(\C#N)C(N)=O)c1 408900114 STCRMYVFGXNFPX-LZYBPNLTSA-N 340.810 3.928 50 40 EHGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408804534 YDTDQJMXYRLXCX-HLVNSREUSA-N 339.351 3.676 50 40 EHGB O=C(N/N=C\C=C\c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1 408903902 BBMZCIZCMUEZBH-MQEXGXKKSA-N 335.319 3.770 50 40 EHGB CCCC[C@H](C(=O)NN)N1c2ccc(Cl)cc2[C@H](C)CC1(C)C 260619571 NZTNSIGOGHSBDF-MLGOLLRUSA-N 337.895 3.981 50 40 EHGB CC[C@H](Nc1ccc(OC)cc1)C(=O)N/N=C(/C)c1ccc(C)cc1 4619264 NVGBOKGNNSZOAP-UQRWVXEISA-N 339.439 3.735 50 40 EHGB N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)Nc1ccc(O)cc1 408794428 IIWLPMXZFAPHCV-WYMLVPIESA-N 337.379 3.521 50 40 EHGB N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)Nc1ccc(F)cc1 38704609 BBXVDNVKOQUNAF-OWBHPGMISA-N 339.370 3.955 50 40 EHGB CCOc1ccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc1 313786 PEHZLMGJMWKRGU-NPRIEWAGSA-N 342.464 3.857 50 40 EHGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1 493321 GTVLDQXISNDYBN-FYJGNVAPSA-N 337.423 3.922 50 40 EHGB CCOC(=O)/C=C/c1ccc(CBr)cc1Br 15042889 OKSNICQPTJNJIV-AATRIKPKSA-N 348.034 3.920 50 40 EHGB CCOc1ccc(C(=O)N/N=C(C)/C=C/c2ccc(OC)cc2)cc1 5247642 UJPDRIFXWLNUQX-GGSJFSJNSA-N 338.407 3.913 50 40 EHGB CCOc1cc(C=C(C#N)C#N)ccc1OCc1ccccc1C#N 58822517 FDIATCGACZPTQH-UHFFFAOYSA-N 329.359 3.967 50 40 EHGB C#CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccccc1C 408799843 LVZXJTRKFWWTLY-SFQUDFHCSA-N 346.386 3.561 50 40 EHGB CCOc1cccc2sc(NNC(=O)c3cccc(F)c3)nc12 246127 VIIGRZZEWIZOAX-UHFFFAOYSA-N 331.372 3.591 50 40 EHGB CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccccc1F 121533 WKJVLGBJAYCNPV-QGZVFWFLSA-N 347.349 3.659 50 40 EHGB CNC(=O)c1cccc(NC(=O)CCCC[C@H]2CCSS2)c1 25442625 OEVFTTJRWZEJDS-AWEZNQCLSA-N 338.498 3.699 50 40 EHGB CCOc1ccc(Cl)cc1/C=N\NC(=O)Nc1ccccc1OC 409105967 PUMPKSFPLZREEV-ODLFYWEKSA-N 347.802 3.903 50 40 EHGB C#CCn1cc(/C=N\NC(=O)c2cc3ccccc3o2)c2ccccc21 33321339 JZQIDSLXLXCION-XKZIYDEJSA-N 341.370 3.785 50 40 EHGB Cc1[nH]c2ccccc2c1/C=C(\C#N)S(=O)(=O)c1ccc(F)cc1 80345384 JXEHTIOGZSTFCQ-XNTDXEJSSA-N 340.379 3.954 50 40 EHGB N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccccc1[N+](=O)[O-] 5604962 KOBCKAMPCIQPAW-GOSISDBHSA-N 343.342 3.966 50 40 EHGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2Cl)OCO3)cc1 4470994 HZHXDNHLHLTJLZ-MLPAPPSSSA-N 340.766 3.923 50 40 EHGB O=C(N/N=C/c1ccc(Br)cc1)C1[C@H]2CCC=CCC[C@H]12 18045910 YRDYROPTOFWUKW-SKBXWVOQSA-N 347.256 3.892 50 40 EHGB CC(C)(CCl)C(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 5373894 GYJOZXYVBRHFCT-UHFFFAOYSA-N 334.847 3.579 50 40 EHGB O=C(Cc1ccccc1)N/N=C/[C@@]1(c2ccccc2)CC1(Cl)Cl 219162 DXYYUKZSQAXESZ-VYVDHXHBSA-N 347.245 3.847 50 40 EHGB COc1ccccc1/C=N/NC(=O)CCSc1ccc(Cl)cc1 20248080 UUYQNRCWVNFENN-XDHOZWIPSA-N 348.855 3.981 50 40 EHGB CCn1cc(/C=N\NC(=O)c2sc3ccccc3c2Cl)c(C)n1 17072194 XDGYTGQKMATZLI-LSCVHKIXSA-N 346.843 3.843 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(O)c1 408893961 HFQJFJRPOWGHTP-NTUHNPAUSA-N 342.782 3.908 50 40 EHGB CCOc1ccccc1/C=N/NC(=O)/C=C/c1ccc(Cl)cc1 409061221 YBGJXLKLBZMICE-UKRUMFJESA-N 328.799 3.902 50 40 EHGB O=C(/C=C/c1ccc(Cl)cc1Cl)NNC(=O)c1cccs1 569154 QPYKBBLFPKLHDM-GQCTYLIASA-N 341.219 3.529 50 40 EHGB COc1ccc(/C(C)=N/NC(=O)c2ccc(Cl)cc2)cc1OC 14920507 KJPWXYQALGTZQH-YBFXNURJSA-N 332.787 3.511 50 40 EHGB COc1ccccc1/C=N/NC(=O)CSCc1ccc(Cl)cc1 1021352 FAHIDQHHNWOGEJ-VXLYETTFSA-N 348.855 3.732 50 40 EHGB CCCCCOc1ccccc1/C=N/NC(=O)c1cc(C2CC2)n[nH]1 4135895 YTEFIOBGRLGCCB-DEDYPNTBSA-N 340.427 3.620 50 40 EHGB C[C@@H]1Cc2cc(/C=C(\C#N)c3nc(O)c4ccccc4n3)ccc2O1 8970232 WTSXDGLCVBGBQI-JXCQQFQQSA-N 329.359 3.723 50 40 EHGB C/C(=N\NC(=O)c1ccc(COc2ccccc2)cc1)c1ccccn1 4964595 WRHBGEFGSXEKRZ-XQNSMLJCSA-N 345.402 3.815 50 40 EHGB CCOc1ccc(CC(=O)N/N=C(\C)c2ccc(OCC)cc2)cc1 408711720 HNHXCZLGRVBOPF-RCCKNPSSSA-N 340.423 3.567 50 40 EHGB C#CCOc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OCC 408542026 JDZJLGRUZLEBBT-PDGQHHTCSA-N 347.370 3.860 50 40 EHGB O=C(N/N=C/c1ccc(Oc2ccccc2)cc1)c1ccccc1O 3187361 GTKXSHYALKYIJR-KGENOOAVSA-N 332.359 3.948 50 40 EHGB C[C@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 1809924 QODBGVPQLWXHRB-NWMJLSOVSA-N 337.335 3.857 50 40 EHGB CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2nc(C)cs2)c1C 45897223 OQMRNUQZVQJQFS-LZYBPNLTSA-N 342.468 3.503 50 40 EHGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)NC(C)C)o1 408784610 VVGUWBKOMAOMJB-JYRVWZFOSA-N 339.351 3.595 50 40 EHGB C#CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c1 408941477 WQSCRWGCRVACMI-PTNGSMBKSA-N 336.778 3.898 50 40 EHGB Cc1ccc(N=C=O)cc1N1C(=O)N(c2cc(N=C=O)ccc2C)C1=O 1680411 WCUIIQMWKGRYPH-UHFFFAOYSA-N 348.318 3.805 50 40 EHGB O=C(NN=C1C2CC3CC(C2)CC1C3)c1ccccc1Br 5159505 MQLZZSAYLZZYDV-UHFFFAOYSA-N 347.256 3.991 50 40 EHGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(OC)c1 211253242 BAKXLURQHSNHFM-LCYFTJDESA-N 342.782 3.903 50 40 EHGB N#C/C(=C/c1ccccc1C(F)(F)F)C(=O)NCCc1ccccc1 95949618 RKHKIFRKFOJUCB-VBKFSLOCSA-N 344.336 3.971 50 40 EHGB O=C(N/N=C/c1cccnc1)[C@H]1CC1(c1ccccc1)c1ccccc1 239267 JPLKGOCVLDOAFE-HSJQUHBMSA-N 341.414 3.538 50 40 EHGB O=C(Cc1ccccc1)N/N=C/c1cccn1-c1ccc(Cl)cc1 59302648 WFJMETMTYAAZOB-KGENOOAVSA-N 337.810 3.824 50 40 EHGB O[C@@H](CCl)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 4184903 SAWXQKXPDUZEMM-JTQLQIEISA-N 348.777 3.854 50 40 EHGB Cc1ccc(-c2nc(C#N)c(NNC(=O)Nc3ccccc3)o2)cc1 72238726 MJILKQFNIIHEFY-UHFFFAOYSA-N 333.351 3.670 50 40 EHGB CCOc1ccc(Cl)cc1/C=N/NC(=O)CCc1ccccc1 408958055 XHXCEYMRXRDDTO-DEDYPNTBSA-N 330.815 3.822 50 40 EHGB N#C/C(=C/c1cccc(Br)c1)C(=O)NCc1ccccc1 33361036 UHXPWZOWICPRQC-DHDCSXOGSA-N 341.208 3.672 50 40 EHGB COc1cc(/C=C(\C#N)C(=O)c2ccsc2)cc(OC)c1OC 4389945 NBRZZWSUCHUBFX-AWNIVKPZSA-N 329.377 3.564 50 40 EHGB CCOc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc1OCC 100216245 AUXSGANXTVQCTR-RYXOADMISA-N 344.455 3.760 50 40 EHGB N#C/C(=C\c1cccn1-c1ccccc1)C(=O)Nc1ccc(O)cc1 561581 ZGASCMKDLAVXDT-FYWRMAATSA-N 329.359 3.729 50 40 EHGB Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2ccc(C(C)C)cc2)c1 6796606 MUCCOTGUOAHVSJ-CIAFOILYSA-N 337.423 3.516 50 40 EHGB O=C(CCCCl)Nc1ccccc1-c1nc(-c2ccccn2)no1 22463230 DBEXCDRXADVNJY-UHFFFAOYSA-N 342.786 3.756 50 40 EHGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/C=C/c2ccco2)cc1 4778778 UUQMLLKOVWDLJR-CYBQEWBWSA-N 326.396 3.987 50 40 EHGB Cc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1[N+](=O)[O-] 409241933 SVXYLNPDEPYYLS-PDGQHHTCSA-N 349.390 3.559 50 40 EHGB CC(C)(C)c1[nH]nc2c1[C@@H](c1ccc(Cl)s1)C(C#N)=C(N)O2 377668 PUFQKJIRMSXOFG-SNVBAGLBSA-N 334.832 3.640 50 40 EHGB ClCCN(CCCl)c1ccc(/C=N/N=C\c2ccncc2)cc1 104341932 IDJFBYDCPMBPTE-MGAWAESESA-N 349.265 3.819 50 40 EHGB CCCCCOc1ccc(/C=C(\C#N)C(=O)NCc2cccnc2)cc1 27026427 XMZAQOUOKWOBMN-CPNJWEJPSA-N 349.434 3.874 50 40 EHGB C[C@@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 3887340 BXVQWLADDAMMOM-MRVPVSSYSA-N 348.185 3.681 50 40 EHGB O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccccc1[N+](=O)[O-] 4474825 GBNQLIDRYWUGPC-CIAFOILYSA-N 345.358 3.611 50 40 EHGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\c2ccc(O)cc2)cc1 30802692 JADDGTMWLWPGFM-KDDDPWNHSA-N 336.435 3.944 50 40 EHGB COc1ccc(C=C(C#N)C#N)cc1OCc1ccc([N+](=O)[O-])cc1 8053808 OUYAKKNKPXYLGG-UHFFFAOYSA-N 335.319 3.613 50 40 EHGB Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)Nc1ccc(F)cc1 408960843 OQYNWPWXJWGHAB-BKUYFWCQSA-N 340.402 3.890 50 40 EHGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)cc2)cc1 408961063 QOUJPTKXWZMIHQ-VKAVYKQESA-N 347.418 3.841 50 40 EHGB CCOc1ccccc1/C=N/NC(=O)CSc1ccc(Cl)cc1 5718875 RITKHQGJHLRDSA-YBFXNURJSA-N 348.855 3.981 50 40 EHGB COc1cccc(NC(=O)/C(C#N)=C\C=C/c2ccc(N(C)C)cc2)c1 4514223 GEQQBYFXLPPQOT-ZDXXLWIXSA-N 347.418 3.863 50 40 EHGB N#C/C(=C\c1ccc(Br)s1)c1nnc2n1CCCCC2 5069733 QVRVNYSOWWYUSO-CSKARUKUSA-N 349.257 3.893 50 40 EHGB C[C@@H](Br)C(=O)Nc1sc2c(c1C#N)CCCCC2 6183406 LCRZIZMKFNTOQD-MRVPVSSYSA-N 327.247 3.611 50 40 EHGB CC(C)=C[C@H]1[C@@H](C(=O)NNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)C1(C)C 104384283 UDEJFMBJNZQIFL-GEEKYZPCSA-N 332.488 3.611 50 40 EHGB O=C(N/N=C\c1ccc(Sc2ccccc2)o1)c1ccccc1O 409000255 YAUQEFZJRZCHPN-UNOMPAQXSA-N 338.388 3.900 50 40 EHGB O=C(CCCCl)NC(=S)Nc1cc(Cl)c(O)c(Cl)c1 6234805 NCQVBKMEKGAWEZ-UHFFFAOYSA-N 341.647 3.531 50 40 EHGB Cc1ccccc1C(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 6960150 ZVUQKMMXFOCVMX-UDWIEESQSA-N 349.346 3.927 50 40 EHGB CCOc1ccc(C(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1 20764124 DOPNFMOIPVDFRH-FYJGNVAPSA-N 335.407 3.649 50 40 EHGB C/C(=C\[PH](c1ccccc1)(c1ccccc1)c1ccccc1)N1CC1 104191781 YUAORSMQYNVAQJ-FMQUCBEESA-N 345.426 3.890 50 40 EHGB CC[C@H](Br)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 61487903 KPBQMXOONPKIQX-KWQFWETISA-N 341.274 3.857 50 40 EHGB COC(C)(C)CCOc1ccc2nc(NC(=O)CCl)sc2c1 20131848 QBLLHVPPJRILDT-UHFFFAOYSA-N 342.848 3.668 50 40 EHGB CCOC(=O)c1c(NC(=O)CCl)sc2c1CC[C@@H](CC)C2 369586 FAPRRBJCRDFGQZ-SECBINFHSA-N 329.849 3.617 50 40 EHGB N#C/C(=C\c1ccc(N2CCCC2)cc1)C(=O)NCc1ccccc1 573925 DZQVNWKYHWGDQI-XMHGGMMESA-N 331.419 3.510 50 40 EHGB CCOc1ccc(CC(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1 10315683 HIFFSAXONRYCRM-HYARGMPZSA-N 349.434 3.578 50 40 EHGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(N)=S 408544306 VGPYROZWDBSNQD-VMPITWQZSA-N 333.756 3.701 50 40 EHGB Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1ccccc1F 408995297 LWBCASYHDKODAY-XKZIYDEJSA-N 335.382 3.997 50 40 EHGB COc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](C#N)c1ccccc1 409206806 QAKLRLFAZBSGBR-TTXZLZEXSA-N 343.386 3.606 50 40 EHGB CC(C)(C)OC(=O)N1CCc2c(CBr)cccc2C1 521399517 VNEQMMUNYGMQAU-UHFFFAOYSA-N 326.234 3.875 50 40 EHGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(N(C)C)o2)c1 39127451 KHLOIIPFEQDACE-UVTDQMKNSA-N 339.395 3.678 50 40 EHGB COC(=O)c1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cc1 48275947 UGYJLKGFVNENBF-GDNBJRDFSA-N 330.343 3.744 50 40 EHGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(Br)o2)c1 37655 XVGWDVOTDWCBKQ-JXMROGBWSA-N 347.168 3.596 50 40 EHGB C/C(=N\NC(=O)c1ccccc1)c1cc2cc(Cl)ccc2oc1=O 4772865 FOXADPYTKQXULL-RGVLZGJSSA-N 340.766 3.600 50 40 EHGB COc1cc(C)c(/C=N/NC(=O)c2cccc3ccccc23)cc1OC 408548273 FOHFJKJURFQBSE-LPYMAVHISA-N 348.402 3.929 50 40 EHGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])o2)cc1Cl 408981346 AVMMHGPFBKUXBW-POHAHGRESA-N 331.715 3.695 50 40 EHGB Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2cc3c(cc2C)OCO3)c1 408984151 FIZARINUAXSJEC-LZYBPNLTSA-N 334.375 3.886 50 40 EHGB N#C/C(=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(N)=O 3255630 ICVYHYNCNOOALL-WQLSENKSSA-N 347.201 3.965 50 40 EHGB O=C(N/N=C/c1ccccc1Br)c1cccc(Cl)c1 8043141 INFOCXFBPKNZHK-RQZCQDPDSA-N 337.604 3.866 50 40 EHGB COc1cccc2cc(C(=O)N/N=C/c3cc(Cl)ccc3O)oc12 8169027 OJZYXWKHJLILOB-DJKKODMXSA-N 344.754 3.564 50 40 EHGB O=C(NNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1 6426864 SEMQUFJAZUVHNA-UHFFFAOYSA-N 332.359 3.554 50 40 EHGB O=C1OC(=O)[C@@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]12 100186508 GFTXOYOWCPVIJK-XAMWDVODSA-N 328.367 3.620 50 40 EHGB CCOc1ccccc1/C=C(\C#N)S(=O)(=O)c1ccc(C)cc1 148236 DBPGRSGHOBHSPI-SFQUDFHCSA-N 327.405 3.732 50 40 EHGB O=C(O)[C@H](Br)[C@H](Br)c1cccc(Cl)c1 1591973 BHVQFJAWAAQZCT-HTQZYQBOSA-N 342.414 3.624 50 40 EHGB C[C@H](Oc1ccc(/C=N/NC(=O)c2ccncc2)cc1)c1ccccc1 4508463 RZMLUNCFYDVPCD-PFRBSUFTSA-N 345.402 3.986 50 40 EHGB N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)NCc1ccccc1 6785855 SRHGLMXXDOOKIJ-XNTDXEJSSA-N 328.318 3.511 50 40 EHGB CCCOc1ccc(/C=N/NC(=O)c2ccccc2C)cc1OC 6960174 FDIRSFUUOTVPSP-DEDYPNTBSA-N 326.396 3.556 50 40 EHGB CC/C(=N\NC(=O)c1cccnc1)c1cc(Cl)cc(Cl)c1O 58160815 YZEBKRKFZFBWIB-CPNJWEJPSA-N 338.194 3.638 50 40 EHGB CCOc1cccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c1O 409221930 VWBKLIDIYWOKPD-MTOJCTJASA-N 336.391 3.575 50 40 EHGB COc1cccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c1 59834 WPRITNOXQIMJGT-VXLYETTFSA-N 348.855 3.732 50 40 EHGB CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1 203556 RPGIJWRBFCLGMG-IBGZPJMESA-N 334.375 3.757 50 40 EHGB CCOC(=O)c1c(NC(=O)CCCCl)sc2c1CCCC2 2272525 DGMAXRUAYALBRF-UHFFFAOYSA-N 329.849 3.761 50 40 EHGB C[C@@H](/C=N/NC(=O)c1cccc(Br)c1)c1ccccc1 5353829 JDWXHWQVTMWSCT-HWQJWEFDSA-N 331.213 3.968 50 40 EHGB O=C(O)CC/C(=N\NC(=O)c1cccc2ccccc12)c1ccccc1 6337191 GMWCNIRXRNHGRF-ZBJSNUHESA-N 346.386 3.839 50 40 EHGB Cc1occc1C(=O)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 15145822 MUHVSVNMPWWICX-VCHYOVAHSA-N 339.307 3.520 50 40 EHGB CC(=O)Oc1ccc([N+](=O)[O-])cc1/C=C1\Sc2ccccc2C1=O 33358641 JIURJIDKDBJSPL-SXGWCWSVSA-N 341.344 3.850 50 40 EHGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)cc1 44028740 CMFKWDNSDMUUJD-CXUHLZMHSA-N 335.359 3.992 50 40 EHGB O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)OCO2 3474952 AZAWMXBTXZCIFF-LPYMAVHISA-N 344.370 3.846 50 40 EHGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccccc1Cl 59334499 WNCXUMVUFAQCSF-GDNBJRDFSA-N 327.815 3.743 50 40 EHGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2ccc(O)cc2)cc1 314499 JADDGTMWLWPGFM-FNTCUZDCSA-N 336.435 3.944 50 40 EHGB O=[P@@]1(N(CCCl)CCCl)N[C@H](c2ccccc2)CCO1 1568153 ZQQQZXQFRYBOON-RBZFPXEDSA-N 337.187 3.625 50 40 EHGB CCOc1ccccc1/C=N/NC(=O)CCc1c[nH]c2ccccc12 2750527 CXRREYSUPWQBKI-HYARGMPZSA-N 335.407 3.650 50 40 EHGB C[C@H]1CCCC/C1=N\NC(=O)CNc1cccc(Br)c1 5276324 MMVYBCMNFNAPPS-KEVMXDQOSA-N 338.249 3.543 50 40 EHGB CC1(C)OC(c2ccccc2)=C/C(=C\C=N\NC(=O)c2ccncc2)O1 13685521 SWROKIJTBPBNIO-RZUCTFCESA-N 349.390 3.505 50 40 EHGB N#C/C(=C/c1ccc(OCC(N)=O)cc1)c1cccc(C(F)(F)F)c1 408904440 JLOKOYDPMUKTCE-ZSOIEALJSA-N 346.308 3.634 50 40 EHGB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O1 2697922 MLYWDQHKIUYKQL-HNNXBMFYSA-N 346.814 3.763 50 40 EHGB Cc1ccc(C(=O)N/N=C/C=C/c2ccc([N+](=O)[O-])cc2)c(Cl)c1 4827453 WEDYVJQTEKRHAB-MQWSALKESA-N 343.770 3.986 50 40 EHGB N#CC1=C(N)Oc2cc(O)c(Cl)cc2[C@H]1c1cccc(Cl)c1 5568781 RHPUFWWIOSSODW-OAHLLOKOSA-N 333.174 3.917 50 40 EHGB C/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)c1cccc(N)c1 12572832 WYHKIDYULVKGOB-LFVJCYFKSA-N 343.430 3.941 50 40 EHGB C/C(=N\NC(=O)CSc1nc2ccccc2o1)c1cccs1 13130176 KHORKPJIUVDDSE-LICLKQGHSA-N 331.422 3.522 50 40 EHGB C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 17071396 ZRLHCRIYZQQBDS-UDWIEESQSA-N 341.411 3.917 50 40 EHGB Cc1cccn2c(/C=C(\C#N)c3nnc(-c4ccccc4)n3C)cnc12 98055989 SQKCPXVLFXHSIO-LFIBNONCSA-N 340.390 3.502 50 40 EHGB C/C(=C/[PH](c1ccccc1)(c1ccccc1)c1ccccc1)N1CC1 104191786 YUAORSMQYNVAQJ-VXPUYCOJSA-N 345.426 3.890 50 40 EHGB Cc1ccccc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 107728156 XEODIGSHKZGCRF-VCHYOVAHSA-N 339.376 3.882 50 40 EHGB Cc1ccc(C(=O)N/N=C/c2cccn2-c2ccc(N(C)C)cc2)cc1 408950511 FVRWHAJBYBUMHV-PXLXIMEGSA-N 346.434 3.616 50 40 EHGB C=CCc1ccccc1OCC(=O)N/N=C/c1ccccc1Cl 225695 NGRNVCMHLSQTSQ-UDWIEESQSA-N 328.799 3.598 50 40 EHGB N#CCC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1 1096116 CTLDWNIWFPAOQA-OEAKJJBVSA-N 343.386 3.783 50 40 EHGB CCOC(=O)c1ccc(NC(=O)[C@](C)(CCl)SCC)cc1 2272206 OOGUZTAZXOWLFT-HNNXBMFYSA-N 329.849 3.552 50 40 EHGB O=C(N/N=C/c1ccc(Cl)s1)c1ccccc1Br 5867208 SYPYSNQKOAQCTM-VIZOYTHASA-N 343.633 3.928 50 40 EHGB CC[C@@H](Br)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 61487904 KPBQMXOONPKIQX-GZMMTYOYSA-N 341.274 3.857 50 40 EHGB C[C@H]1Cc2cc(/C=N\NC(=O)c3cccc4ccccc34)ccc2O1 408710786 KJDHITZPIQANHB-CRRPLPBISA-N 330.387 3.927 50 40 EHGB O=C(N/N=C\c1cccn1-c1ccc(Cl)cc1)c1cccc(O)c1 408855460 NFEPFXMBTPASGT-NDENLUEZSA-N 339.782 3.600 50 40 EHGB O=C(N/N=C/c1ccc(-c2ccc(F)c(Cl)c2)o1)c1ccncc1 6220365 NLHICZVKSOPGEE-UFFVCSGVSA-N 343.745 3.898 50 40 EHGB NC(=O)NN=C1[C@H]2CCC[C@@H]1[C@H](c1ccccc1)N[C@H]2c1ccccc1 96436041 BNJXNKFPPJGIBR-RDGPPVDQSA-N 348.450 3.513 50 40 EHGB COc1cc(C)c(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1OC 409053047 WPPGNSFUDFRXRN-KEBDBYFISA-N 346.814 3.738 50 40 EHGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 260404 YOZDBWGZVMDHBP-CAOOACKPSA-N 338.150 3.666 50 40 EHGB C[C@]1(c2ccccc2)C[C@H]1C(=O)N/N=C/c1c(O)ccc2ccccc12 3140229 QVVOECLIGBHMMW-YCBLCKBMSA-N 344.414 3.973 50 40 EHGB C[C@@H](Cl)C(=O)Nc1nc2c(F)cc(Br)cc2s1 20131984 LABSAUFSBUHGAG-SCSAIBSYSA-N 337.601 3.764 50 40 EHGB CCOc1ccc2nc(NC(=O)[C@H](Br)CC)sc2c1 20132395 LLMHIAOOZGAMKT-SECBINFHSA-N 343.246 3.807 50 40 EHGB N#C/C(=C/NNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 32914613 ZOKLAAOZHAJWKK-RAXLEYEMSA-N 332.190 3.792 50 40 EHGB CCn1c(=O)c(/C=C(\C#N)c2nc3ccccc3[nH]2)cc2ccccc21 36625729 VHSNBEKIQNLEGR-FOWTUZBSSA-N 340.386 3.962 50 40 EHGB O=C(N/N=C/c1ccc(-c2ccc(F)c(Cl)c2)o1)c1cccnc1 39402869 YANGEUCNRQRIFC-UFFVCSGVSA-N 343.745 3.898 50 40 EHGB O=C(NN=C1CCCCCCC1)C(=O)Nc1cccc2ccccc12 59515803 XCAJETLCEZDAFN-UHFFFAOYSA-N 337.423 3.995 50 40 EHGB N#C/C(=C/c1ccc(Cl)s1)C(=O)Nc1cccc(C(=O)O)c1 408541823 GBPIVIOEISWOMF-YFHOEESVSA-N 332.768 3.645 50 40 EHGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)o1 408728424 MASOKVAGUOQFAF-VCHYOVAHSA-N 339.307 3.520 50 40 EHGB O=C(Nc1ccccc1C(=O)NNc1ccccc1)c1ccccc1F 64690 LTJCTIBFMFAESB-UHFFFAOYSA-N 349.365 3.835 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OCC 487297 MYAKCTSRLZWNNL-UDWIEESQSA-N 346.814 3.901 50 40 EHGB CN(C)CCOC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)o1 2272229 YJAHJIBLZYKERN-SDNWHVSQSA-N 344.798 3.612 50 40 EHGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)OC(C)(C)C 3173246 LTOCPHPUJIDJNN-VCHYOVAHSA-N 334.807 3.693 50 40 EHGB O=C(NNC(=O)c1cccc(Oc2ccccc2)c1)c1ccccc1 3369223 HMMUIJZOESYZST-UHFFFAOYSA-N 332.359 3.554 50 40 EHGB C/C(=N\NC(=O)CSc1nc2ccccc2[nH]1)c1ccc(C)cc1 50954815 LHCJGAZEBDJQDB-FYJGNVAPSA-N 338.436 3.504 50 40 EHGB Cc1cc(C)c(/C=N/NC(=O)c2ccc(Br)o2)c(C)c1 357882 MZCMXIMFRNCHGH-CAOOACKPSA-N 335.201 3.731 50 40 EHGB Cc1ccc(NCC(=O)N/N=C2\CCSc3ccc(F)cc32)cc1 7009422 DQECRWRPTWKLOZ-LTGZKZEYSA-N 343.427 3.562 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 7156695 YNJOSIXRHBEYBD-MHWRWJLKSA-N 336.391 3.866 50 40 EHGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OCC)c1OCC 408784701 RYJQDAKNLAKKCU-BOPFTXTBSA-N 342.439 3.644 50 40 EHGB O=C(N/N=C/c1ccccn1)[C@@H]1CC1(c1ccccc1)c1ccccc1 239254 NCDHKLTZQAFJOU-WEKPXBEKSA-N 341.414 3.538 50 40 EHGB ClC[C@@H](Cl)COC[C@@H]1CO[C@H](c2ccc(Cl)cc2)O1 6225807 CKAGUBYMMHRUIZ-UPJWGTAASA-N 325.619 3.617 50 40 EHGB N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)c1nc2ccccc2[nH]1 4742080 XCJCINAVMWNBDI-PTNGSMBKSA-N 348.381 3.603 50 40 EHGB C/C(CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O)=N/NC(N)=O 4856591 YPWULSVTTBGBFG-CEWBSGHFSA-N 337.508 3.804 50 40 EHGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(N(C)C)o1 408788223 JHTCAPWLUUNXJI-XYOKQWHBSA-N 329.787 3.853 50 40 EHGB C=CCn1cc(/C=N/NC(=O)CNc2ccc(C)cc2)c2ccccc21 408530606 MIWGIMYXNJVSHN-YDZHTSKRSA-N 346.434 3.698 50 40 EHGB CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c1O 223166865 YLHGIRVCXKCEHC-WJDWOHSUSA-N 336.391 3.953 50 40 EHGB C[C@H]1CN(C(=O)/C(C#N)=C/c2c(Cl)cccc2Cl)C[C@H](C)O1 98008819 ZRHOMLQOBJXPDV-NYDONADRSA-N 339.222 3.536 50 40 EHGB CC[C@@H](Nc1ccc(OC)cc1)C(=O)N/N=C(\C)c1ccc(C)cc1 5737229 NVGBOKGNNSZOAP-QTCOBDOFSA-N 339.439 3.735 50 40 EHGB CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OC 7893953 GQYGPIFPTPZITF-YBFXNURJSA-N 332.787 3.511 50 40 EHGB Cc1nc(-c2cccs2)sc1C(=O)NN(C)c1ccccc1 12813386 JJPMLXODSUZUFN-UHFFFAOYSA-N 329.450 3.961 50 40 EHGB CCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc(C#N)cc2)c1C 14140924 ZTIDLXVXFPOQGI-WOJGMQOQSA-N 333.391 3.899 50 40 EHGB Cc1cc(C)nc(Sc2ccc(C=C(C#N)C#N)cc2[N+](=O)[O-])n1 15019254 ZAJNMBUASYFWGI-UHFFFAOYSA-N 337.364 3.583 50 40 EHGB O=C(NNc1ccccc1[N+](=O)[O-])c1csc(-c2ccsc2)n1 52538785 UWLUEJPBUWCBJL-UHFFFAOYSA-N 346.393 3.537 50 40 EHGB COc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 107720713 MMYREZVKZNZXCH-QPEQYQDCSA-N 325.280 3.576 50 40 EHGB COc1ccc(C(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)c(O)c1 409392037 NGKXGEJQLMDEFS-FYJGNVAPSA-N 340.423 3.852 50 40 EHGB CCOC(=O)N/N=C/c1ccc(O[C@@H](C)c2ccccc2)c(OC)c1 4525964 VFILOSDWMCWLBW-ZXOFLVKFSA-N 342.395 3.915 50 40 EHGB COc1ccc(S(=O)(=O)/C(C#N)=C\Nc2cccc(Cl)c2)cc1 5489214 BHPDNBNLDWBPLC-WJDWOHSUSA-N 348.811 3.599 50 40 EHGB CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3ccc(O)cc32)cc1 5707784 VDTSDIJKBVWZFG-IBGZPJMESA-N 336.391 3.789 50 40 EHGB N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 8220740 ICBLVNQSBZXHOY-SDNWHVSQSA-N 337.766 3.788 50 40 EHGB CCc1cc(Br)cc2sc(NC(=O)CCl)nc12 20131795 LONYSROVDIFKIE-UHFFFAOYSA-N 333.638 3.799 50 40 EHGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cccc(O)c1 565763 SUQAKUQAHCEKSS-HYARGMPZSA-N 346.386 3.588 50 40 EHGB CNc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1[N+](=O)[O-] 6516565 MLMCOTKSNRZELY-UKTHLTGXSA-N 333.351 3.587 50 40 EHGB Cc1cc2c(cc1/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1)OCO2 408799987 MJNBPAXNIKHCPD-IREQLNLFSA-N 334.375 3.508 50 40 EHGB C#CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)NC1CCCC1 409193760 MCNWSXHPNXWPTD-VKAVYKQESA-N 344.414 3.818 50 40 EHGB Cc1ccc(OCC(=O)N/N=C/c2ccc3ccccc3c2)cc1C 50078 OFMBLCGZLJAQDO-LPYMAVHISA-N 332.403 3.986 50 40 EHGB Cc1ccc(OCC(=O)N/N=C/c2c(C)n(C)c3ccccc23)c(C)c1 3036437 UZYNZKLVFDXNKL-WSDLNYQXSA-N 349.434 3.633 50 40 EHGB COc1ccc(-c2csc(NC(=O)CCCCl)n2)cc1OC 6602980 BVQSZXAJJXJOMG-UHFFFAOYSA-N 340.832 3.785 50 40 EHGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1 15219783 DNKNZUXEZMQUKQ-RGEXLXHISA-N 333.435 3.756 50 40 EHGB N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)NC1CC1 17070690 VDBKTYDLFBLHQZ-LFIBNONCSA-N 336.366 3.590 50 40 EHGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1ccc(Cl)cc1 31776108 WVTFDWVYOVRJFH-XEQXHXIFSA-N 337.206 3.911 50 40 EHGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccsc1 567364 ALMUYFRLSOYXFB-VIZOYTHASA-N 333.463 3.600 50 40 EHGB COC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\C=C\c2ccccc2)c1C 16719293 UHYWANDEDCDFTR-CRWKAAGYSA-N 334.375 3.764 50 40 EHGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 15219906 XNVLWRYPYVQYEF-WJDWOHSUSA-N 336.391 3.948 50 40 EHGB COc1cccc(C(=O)N/N=C(\C)c2ccc(Br)cc2)c1 5621156 DGLLKEJBCODJMT-WOJGMQOQSA-N 347.212 3.612 50 40 EHGB Cc1ccc(/C=N/NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 130458 ZTVWNKLJCOLUQK-LPYMAVHISA-N 346.434 3.621 50 40 EHGB O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccco1 2676276 VLBAWQOWUDHOLR-VCHYOVAHSA-N 341.194 3.896 50 40 EHGB C[C@H](Cl)C(=O)Nc1ccc(Br)cc1Br 3379251 WVBWPKIHMJFYEA-YFKPBYRVSA-N 341.430 3.777 50 40 EHGB Cc1ccc(NC(=O)/C(C#N)=C2/C(=O)N(C(C)C)c3ccccc32)cc1 197831913 BPIZLYGGTJFXCI-HTXNQAPBSA-N 345.402 3.666 50 40 EHGB C/C(=N\NC(=O)CC1(C)SCCS1)c1ccc(Cl)cc1 409267367 VFCDNKGUMBBTGF-MHWRWJLKSA-N 328.890 3.767 50 40 EHGB C#CCn1c(C)c(/C=C(\C#N)C(=O)n2nc(C)cc2C)c2ccccc21 409380562 HBJUJVUEICPGAU-SFQUDFHCSA-N 342.402 3.644 50 40 EHGB Cc1noc2c1[C@@H](c1ccccc1)C(C#N)=C(N)[C@H]2c1cccc(O)c1 4639687 WHPMEJQKVSKNFA-RBUKOAKNSA-N 343.386 3.702 50 40 EHGB C/C(CC(=O)Nc1ccc(Cl)cc1C)=N\NC(=O)c1ccccc1 4713831 BXEAAESCDGPSOW-FYJGNVAPSA-N 343.814 3.783 50 40 EHGB N#C/C(=C\c1c(F)cccc1F)S(=O)(=O)c1ccc(Cl)cc1 13135441 ORQMQBFLDJGLBA-XYOKQWHBSA-N 339.750 3.957 50 40 EHGB O=C(N/N=C1/C[C@H]2CC=C[C@H]12)c1ccc(COc2ccccc2)cc1 13146883 RCGUBUHAAHJUQJ-AIHYEWLFSA-N 332.403 3.947 50 40 EHGB CC[C@H](NC(=O)c1c(C)nn(CCCl)c1C)c1ccc(OC)cc1 69900361 AMBGFEWULLXVOA-INIZCTEOSA-N 349.862 3.628 50 40 EHGB Cc1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)o1 408904320 HWSOOSQADDAOKH-PXNMLYILSA-N 336.189 3.815 50 40 EHGB N#CC(C(=O)c1ccc(Br)s1)=C1Nc2ccccc2N1 567832 KZYUYYZTJGMLSC-UHFFFAOYSA-N 346.209 3.966 50 40 EHGB Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)c(C)c1 3315860 OQPHBKWHRABZDN-GIJQJNRQSA-N 347.212 3.535 50 40 EHGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 33741512 XNDIDMLMHRRJHD-DEDYPNTBSA-N 339.395 3.585 50 40 EHGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2ccccc2)o1 408962599 ZPEIPAJHEBJNQZ-CIAFOILYSA-N 348.358 3.717 50 40 EHGB CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1ccn2ccnc2c1 1776011414 SGDIYJPXIBTYNR-UHFFFAOYSA-N 348.403 3.516 50 40 EHGB CCc1ccc(/C(C)=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 370702 WHYRQNUFMOOGIM-GZTJUZNOSA-N 331.397 3.681 50 40 EHGB C/C(=N\NC(=O)COc1ccccc1C)c1ccc2c(c1)CCCC2 4108864 VXWCMVXQIMTGJU-CJLVFECKSA-N 336.435 3.793 50 40 EHGB O=C(CCC1CCCCC1)NNC(=O)c1cc2c(s1)CCCC2 21969552 ICOCJAMNUDVUMV-UHFFFAOYSA-N 334.485 3.748 50 40 EHGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccccc1[N+](=O)[O-] 30789109 VSUHUDRIOYSDLG-NTUHNPAUSA-N 343.346 3.603 50 40 EHGB CO[Si](CCCCCCCCCCCOC(C)=O)(OC)OC 223871748 ORIHNABGMOPDJW-UHFFFAOYSA-N 334.529 3.939 50 40 EHGB CCOC(=O)/C(C#N)=C/c1cccc(Oc2nc(Cl)ncc2F)c1 409063936 OARDRORDWOQXKL-IZZDOVSWSA-N 347.733 3.531 50 40 EHGB COc1ccc(/C=N/NC(=O)c2ccc(CNc3ccccc3)o2)cc1 548951 QZKPMPVMZHKODS-LPYMAVHISA-N 349.390 3.664 50 40 EHGB O=C(Cc1ccccc1)N/N=C/[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl 4697604 AVKBQSAIFACIFT-LLAWBURQSA-N 347.245 3.919 50 40 EHGB CCOc1ccc(CC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 10475850 FLWBPBLANCECEI-HYARGMPZSA-N 348.402 3.637 50 40 EHGB N#C/C(=C/c1ccc(OCC(N)=O)cc1)c1ccc(C(F)(F)F)cc1 408904395 IVPWAFYCPGQNMB-ZROIWOOFSA-N 346.308 3.634 50 40 EHGB CCOc1ccccc1/C=N/NC(=O)c1cc2ccccc2nc1C 366248 WKIAGGFDFUYLNL-FYJGNVAPSA-N 333.391 3.706 50 40 EHGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(N2CCCCC2)o1 17067545 XRYUZVYHIWWEGC-DBBCOJJOSA-N 329.444 3.546 50 40 EHGB Cc1ccc(/C=C/C(=N\NC(=O)c2ccccc2)[C@@H](C)CN(C)C)cc1 17174743 UKCRSDLYVLZMKP-PRCQGMPOSA-N 349.478 3.992 50 40 EHGB O=C(/C=C/NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 59489079 YKCOJPYXNISWQQ-FOCLMDBBSA-N 342.398 3.985 50 40 EHGB N#C/C(=C\c1csc(-c2ccc3c(c2)OCO3)n1)c1ccccn1 96292700 SQYRXSZAHWZQKM-NTUHNPAUSA-N 333.372 3.998 50 40 EHGB Cc1cc2c(cc1/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1)OCO2 408799988 MJNBPAXNIKHCPD-VEJKBTLKSA-N 334.375 3.508 50 40 EHGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1 563148 PDGSFSRTOXQNDW-CAOOACKPSA-N 338.150 3.666 50 40 EHGB C[C@H](Cl)CN(C[C@@H](C)Cl)C(=O)Oc1ccccc1[N+](=O)[O-] 1763340 VKOHLMWYXVHOBR-AOOOYVTPSA-N 335.187 3.650 50 40 EHGB CC1=C(/C=C/C(C)=N/NC(=O)c2ccc[n+](C)c2)C(C)(C)CCC1 17041128 OTNFPJUOQLERLJ-UVTDRHCZSA-O 326.464 3.700 50 40 EHGB NNC(=O)/C=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 226333712 MKPRQDVKPQFEIJ-SOFGYWHQSA-N 337.206 3.576 50 40 EHGB O=C(N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 5741073 RISMGVMWTIYBQB-CPNJWEJPSA-N 349.350 3.541 50 40 EHGB O=C(Cc1coc2ccc3ccccc3c12)NNC(=O)c1ccccc1 7063028 QXWIGFGRWWZDAI-UHFFFAOYSA-N 344.370 3.590 50 40 EHGB Cc1ccc(NC(=O)[C@@H](Cl)C(=O)c2ccc([N+](=O)[O-])cc2)cc1C 8550707 TVQPYUWOSFOALS-HNNXBMFYSA-N 346.770 3.640 50 40 EHGB N#C/C(=C\c1ccc(OC(F)(F)F)cc1)c1nnc2n1CCCCC2 14180840 HUUPVKKESYGBAI-JLHYYAGUSA-N 348.328 3.967 50 40 EHGB N#CCOc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1Cl 59153544 KJYIRPZHFFYECZ-KEBDBYFISA-N 348.189 3.660 50 40 EHGB N#C/C(C(=O)c1ccc([N+](=O)[O-])s1)=C1\Nc2ccccc2S1 103003450 NMHZICCIWIYZPS-ZSOIEALJSA-N 329.362 3.792 50 40 EHGB N#C/C(=C\c1c(OCc2cccc(F)c2)ccc2ccccc12)C(N)=O 408890165 OYNQKZYHXFAKBO-LFIBNONCSA-N 346.361 3.950 50 40 EHGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2nccs2)cc1 3570678 URANZULPSFUKBW-SDNWHVSQSA-N 326.425 3.535 50 40 EHGB CCn1c(C)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1C 4740768 GYEGELZCIQAKGQ-UFFVCSGVSA-N 337.345 3.908 50 40 EHGB Cc1ccccc1NC(=O)/C(C#N)=C/c1c(Cl)nc2ccccn12 13137677 MFQQKDSJOOAXDI-JLHYYAGUSA-N 336.782 3.842 50 40 EHGB CCc1cccc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)c1 38654491 CWXRWJPAHXRLNI-UHFFFAOYSA-N 328.368 3.678 50 40 EHGB CC(C)c1ccc(NC(=O)C(=O)NN=C2CCCCCCC2)cc1 59515725 CXEOGQXVDLKSDL-UHFFFAOYSA-N 329.444 3.965 50 40 EHGB O=S(=O)(O[C@H]1C[C@@H]2c3ccccc3[C@@H]1[C@@H]2Cl)c1ccccc1 104091515 GTVHFIWBHNQNCG-LTIDMASMSA-N 334.824 3.653 50 40 EHGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc1 409384092 AJPVNSMKZKKHIH-AQTBWJFISA-N 336.439 3.628 50 40 EHGB O=C(NC(=O)C(Cl)Cl)Nc1ccc2c(c1)Cc1ccccc1-2 1722521 SQDGDSCEUXKCMP-UHFFFAOYSA-N 335.190 3.710 50 40 EHGB COc1ccccc1/C(C)=N/NC(=O)c1cc2c(s1)CCCC2 5975275 SZNFXGMRDBDEHU-XDHOZWIPSA-N 328.437 3.790 50 40 EHGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(Cl)cc1 11582366 WVTFDWVYOVRJFH-LLVKDONJSA-N 337.206 3.911 50 40 EHGB Cc1cccc(OCC(=O)N/N=C/c2c(C)[nH]c3ccccc23)c1C 13897811 VDBRYGMUOGRHJN-SRZZPIQSSA-N 335.407 3.622 50 40 EHGB C/C(=N\NC(=O)c1csc2ccccc12)c1ccc(C(=O)O)s1 17071859 JVZZFYJGUKDRAJ-RQZCQDPDSA-N 344.417 3.815 50 40 EHGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)s1 39327245 KARBYZGOVTUYAU-CYBMUJFWSA-N 334.828 3.852 50 40 EHGB N#C/C=C\c1ccc(N[C@@H](CCO)c2cccs2)c([N+](=O)[O-])c1 97323796 UPIVLQNWJYZFRJ-VXYRWZGASA-N 329.381 3.729 50 40 EHGB O=C(N/N=C\c1ccoc1)c1cc2cc(Br)ccc2o1 408956831 ZSDQCPUIJCJXCP-APSNUPSMSA-N 333.141 3.552 50 40 EHGB CCc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1 133517 ZVVIDRWXGZDCIS-WOJGMQOQSA-N 331.213 3.775 50 40 EHGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OC(C)=O 4149585 HZTBHYPHIGYLRT-XNTDXEJSSA-N 347.374 3.951 50 40 EHGB C/C(=N/NC(=O)c1cccc(C)c1)c1ccc(Br)cc1 15938099 HBJIFVNOQYZLJB-PDGQHHTCSA-N 331.213 3.912 50 40 EHGB CSc1cccc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)c1 38654535 PRKVZHMENFTTKI-UHFFFAOYSA-N 346.408 3.838 50 40 EHGB Cc1ccc(NC(=O)N/N=C\c2cccn2-c2ccc(O)cc2)c(C)c1 409014891 LXKIDDLOXHOHIK-BKUYFWCQSA-N 348.406 3.955 50 40 EHGB C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc(-n2ccnc2)cc1 5516951 JGFZXMVALBCPAR-OEAKJJBVSA-N 343.390 3.508 50 40 EHGB COC(=O)[C@@H](C#N)C1=C(C(SC)=C(C#N)C#N)[C@H](C)CC(C)(C)C1 5527952 SNAXQATUHXPAEC-RISCZKNCSA-N 343.452 3.716 50 40 EHGB CCOc1ccc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)cc1OCC 5654213 AUXSGANXTVQCTR-GVFZFRTBSA-N 344.455 3.760 50 40 EHGB Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)o1 16740136 DRFGDFGNXLVREU-FLIBITNWSA-N 331.169 3.896 50 40 EHGB O=C(CCCC[C@H]1CCSS1)N[C@H](C(=O)O)c1ccccc1 96221989 LSEZHTXSIOXYSY-ZFWWWQNUSA-N 339.482 3.643 50 40 EHGB biogenic c1ccc(P2(c3ccccc3)(c3ccccc3)OC[C@H]3C[C@@H]32)cc1 104194409 UJKFVUCNFVDYSE-GCJKJVERSA-N 332.383 3.850 50 40 EHGB NNC(=O)c1ccc(CC2CCCCC2)n1Cc1ccc(Cl)cc1 226024442 ILAYEHCCXIISKT-UHFFFAOYSA-N 345.874 3.916 50 40 EHGB CCN(CC)C(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 500669 AFNTWYBZSXDUCL-SDNWHVSQSA-N 339.351 3.630 50 40 EHGB Cc1nn(CC(C)C)c(C)c1CCC(=O)NNc1cccc(Cl)c1 39996372 PKNRVGUUJKWHII-UHFFFAOYSA-N 348.878 3.885 50 40 EHGB O=C(Cl)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95671169 KLAVPNKIYBZAOK-REOHCLBHSA-N 348.495 3.787 50 40 EHGB in-vitro CCN(CC)c1ccc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc1 216046130 SNUNGZJEWSKDJF-JCMHNJIXSA-N 337.467 3.842 50 40 EHGB NNC(=O)/C=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 216895945 XSIPOLHOTKJVCJ-FNORWQNLSA-N 337.206 3.576 50 40 EHGB COc1ccc(Cl)cc1/C=C(\C#N)C(=O)N[C@H]1CCCC[C@@H]1C 408818977 WBNIVNJFAJXQOT-BMKJPTANSA-N 332.831 3.950 50 40 EHGB Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccc(F)cc1 409002852 WVJOLVRKCKPDJE-RGVLZGJSSA-N 325.343 3.590 50 40 EHGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccnc2ccccc12 36200 IFQUAIUKDZLTRR-SFHVURJKSA-N 345.402 3.686 50 40 EHGB O=C(N/N=C/c1ccc(Cl)s1)c1cccc(Br)c1 5671002 MARDDEPJIDMAHM-VIZOYTHASA-N 343.633 3.928 50 40 EHGB Cc1ccc(/C=N/C(=N\NC(=O)c2ccccc2)c2ccccc2)o1 13304427 GCWGUSAGEYJIBJ-CDBPFAKTSA-N 331.375 3.799 50 40 EHGB O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(N2CCCC2)cc1 408676278 HCGCESCGZXVUBI-DEDYPNTBSA-N 327.815 3.704 50 40 EHGB CCOc1cc(Cl)c(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC 409191183 UKBOFTLCRRJRTQ-JYRVWZFOSA-N 348.830 3.713 50 40 EHGB Cc1nc(/C(C#N)=C\c2ccc(OCCC(=O)O)cc2)sc1C 584907082 CEQAPBBTBKBCHE-ZROIWOOFSA-N 328.393 3.678 50 40 EHGB N#C/C(=C\c1cc2c(O)cccc2s1)c1nnc2n1CCCCC2 585135954 KIQJGCIAGMRXCT-FMIVXFBMSA-N 336.420 3.989 50 40 EHGB CCCCc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1 2025963 DYVLFNFGYLULSH-UHFFFAOYSA-N 330.815 3.757 50 40 EHGB COc1ccc(OC)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1 72535380 ARNLMCJBYZRMJJ-JYRVWZFOSA-N 342.782 3.903 50 40 EHGB O=C(N/N=C\c1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1 408857382 UNVFPSQRGMZFOX-MOSHPQCFSA-N 327.815 3.704 50 40 EHGB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N/N=C/c1ccccc1F 243896 HYFHCAPEYFKGRX-HMASQMOLSA-N 334.778 3.705 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC 487295 DVZNTITVXROGAT-YBFXNURJSA-N 332.787 3.511 50 40 EHGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc(Cl)c1 3167544 ZMRUVUQVSRWPGJ-VURRPDKYSA-N 337.206 3.911 50 40 EHGB CCN(CC)CCCN(Nc1ccccc1)C(=O)c1ccccc1 5477029 VQCOHOPAXKKGOF-UHFFFAOYSA-N 325.456 3.888 50 40 EHGB COc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1O 7167005 GHMSHWOOVXUJMF-NTEUORMPSA-N 332.359 3.980 50 40 EHGB CCCCCCCCNC(=O)/C(C#N)=C/c1ccc2c(c1)OCCO2 8691253 HRNSEHHNROFQQR-GHRIWEEISA-N 342.439 3.841 50 40 EHGB N#C/C(=C\c1ccc(-c2ccccc2Br)s1)C(N)=O 23042649 RRDONOCEPXOSSG-VQHVLOKHSA-N 333.210 3.570 50 40 EHGB COc1ccc(Cl)cc1/C=C(/C#N)C(=O)NCc1ccccc1 53102225 UARDXJSRJDDMGE-DHDCSXOGSA-N 326.783 3.572 50 40 EHGB CCCCCCCCNC(=O)/C(C#N)=C\c1ccc2c(c1)OCCO2 102989962 HRNSEHHNROFQQR-LGMDPLHJSA-N 342.439 3.841 50 40 EHGB COc1ccc(C(=O)N/N=C/c2ccc3c4c(cccc24)CC3)cc1 408720111 SKKFRIZEYZNEEQ-LPYMAVHISA-N 330.387 3.711 50 40 EHGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)cc2)c1 408960348 LAZSRBMZLDPUOE-LGMDPLHJSA-N 347.418 3.841 50 40 EHGB Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1ccco1 409257374 OFYDZWVWXRUWKO-YBFXNURJSA-N 347.802 3.501 50 40 EHGB CNC(=O)OCCCCCCCCCCI 1577523 XRRZQENELMJQJV-UHFFFAOYSA-N 341.233 3.898 50 40 EHGB Cc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)s1 5119668 XYUTUYIAFJETKS-YBFXNURJSA-N 330.453 3.883 50 40 EHGB Cc1ccsc1/C=N/NC(=O)COc1cc(C)c(Cl)c(C)c1 5982084 XPIBKVMZWSWQRC-QGMBQPNBSA-N 336.844 3.856 50 40 EHGB Cc1ccc(OCCN(C)/C(=C/C#N)c2cccc([N+](=O)[O-])c2)cc1 72319288 XNTSPLUCCCXXMC-VXLYETTFSA-N 337.379 3.779 50 40 EHGB N#C/C(=C\Nc1ccccc1C(N)=O)c1nc(-c2ccccc2)cs1 508306 HUFXKMWDZMBDEF-SDNWHVSQSA-N 346.415 3.886 50 40 EHGB C[C@@H]1CCC/C(=N\NC(=O)COc2cccc(Br)c2)C1 5163153 SPOVDCHZRRBKBS-MUOMHZFWSA-N 339.233 3.510 50 40 EHGB C[C@H]1CN(C(=O)/C(C#N)=C/c2c(Cl)cccc2Cl)C[C@@H](C)O1 98008818 ZRHOMLQOBJXPDV-RUTDOZSZSA-N 339.222 3.536 50 40 EHGB O=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 314537 XRWRGRAHBSVNGW-DEDYPNTBSA-N 349.346 3.548 50 40 EHGB Cc1ccc2c(c1)Oc1ccc(NC(=O)CCCl)cc1C(=O)N2 4105280 AQJHJJDVPIFXAZ-UHFFFAOYSA-N 330.771 3.920 50 40 EHGB O=C(NN=C1C2CC3CC(C2)CC1C3)c1ccc(Br)o1 5945274 YYXPPWXJLYCCCK-UHFFFAOYSA-N 337.217 3.584 50 40 EHGB N#CCn1cc(/C=N\NC(=O)c2cc3ccccc3o2)c2ccccc21 408815888 STPKYMZEBXBEGM-UUYOSTAYSA-N 342.358 3.675 50 40 EHGB O=C(CCl)Nc1ccc(Cl)cc1C(=O)c1ccccc1F 1840991 JXGJTLQYJCMHKX-UHFFFAOYSA-N 326.154 3.887 50 40 EHGB Cn1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc21 5215056 ROXMJOHIXRAIGM-JLHYYAGUSA-N 346.346 3.632 50 40 EHGB COc1ccc(/C(C)=N/NC(=O)c2ccccc2Cl)c(OC)c1 12571524 ZIRXWZQWKVYMRU-YBFXNURJSA-N 332.787 3.511 50 40 EHGB N#C/C(=C/Nc1ccc(Cl)cc1C(=O)c1ccccc1)C(N)=S 100986120 YIYUUESIVADCJB-BENRWUELSA-N 341.823 3.676 50 40 EHGB Br[C@H]1C[C@@]23CC[C@]2(CSC3)C[C@H]1Br 104277109 JVPIKUYAMFZXQP-UTINFBMNSA-N 326.097 3.821 50 40 EHGB CC(C)(C)OC(=O)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 184409 UCNGVWLCURJONK-WOJGMQOQSA-N 346.408 3.826 50 40 EHGB CN(C)C(=S)SSC(=S)SSC(=S)N(C)C 1747615 OJNYHWVGCKXALV-UHFFFAOYSA-N 348.656 3.727 50 40 EHGB COc1cccc([C@H]2[C@H]3C[C@@H](C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 4729729 LWQBCYAGJBCXKH-IXDGSTSKSA-N 344.418 3.535 50 40 EHGB O=C1[C@H](c2c[nH]c3ccccc23)N(c2ccc([N+](=O)[O-])cc2)[C@@H]1Cl 5594166 PYJHBQWXRZSGTI-RDJZCZTQSA-N 341.754 3.771 50 40 EHGB Cc1ccc(C)c(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1 13140896 YVNFIKWKPKATAU-MHWRWJLKSA-N 334.375 3.620 50 40 EHGB O=C(NNc1ccccc1[N+](=O)[O-])c1ccccc1SC(F)F 32899396 SUQDMFYVNQDMQW-UHFFFAOYSA-N 339.323 3.666 50 40 EHGB C=CCOc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1 409223351 ZCWNRTKBGPTSIO-SILNSSARSA-N 346.430 3.907 50 40 EHGB CC(C)(C)OC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)OCCl 616568456 BPPUYCWZQCMMHK-KGLIPLIRSA-N 345.867 3.932 50 40 EHGB Cc1ccccc1/C=C(\C#N)c1nc(N)nc(Nc2ccccc2)n1 11296479 MMQHWYYZBJKFOA-RVDMUPIBSA-N 328.379 3.570 50 40 EHGB COc1cc(-c2nc3cc(C(=O)Cl)ccc3o2)cc(OC)c1OC 218719442 RAMJMOCLSVCRMS-UHFFFAOYSA-N 347.754 3.900 50 40 EHGB Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1ccccc1 408755824 FZWFCUQWCZQTAB-JCMHNJIXSA-N 331.419 3.787 50 40 EHGB C/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 262909 QVMPTNLBGQMUKV-FYJGNVAPSA-N 348.362 3.605 50 40 EHGB O=C(N/N=C/c1ccc(O)cc1)c1ccc(CNc2ccccc2)cc1 371377 AQDXHHFHBMFRDL-HZHRSRAPSA-N 345.402 3.768 50 40 EHGB O=C(Cn1ccc2ccccc21)N/N=C/c1ccc(C(F)(F)F)cc1 4676426 FVPBWMZVGSEQNX-SSDVNMTOSA-N 345.324 3.810 50 40 EHGB CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c1 8916613 YVRMQNNDODWOOU-LJQANCHMSA-N 336.391 3.789 50 40 EHGB N#CC(C(=O)c1ccccc1Br)=C1Nc2ccccc2N1 11617252 ICIGSDFVWHZLID-UHFFFAOYSA-N 340.180 3.905 50 40 EHGB O=C(O)[C@@H](c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 104117817 XELYXYFMIJHSCR-LJQANCHMSA-N 336.327 3.826 50 40 EHGB O=C(N/N=C/c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 222505 DZEVELIIBGSXCE-PXLXIMEGSA-N 343.386 3.703 50 40 EHGB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CCl 1465283 LOHQWMWMHVSUNS-UHFFFAOYSA-N 329.830 3.831 50 40 EHGB CC[C@@H](Nc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1C 2750333 NEBSQDLONQYJLK-XNHPLOEXSA-N 329.831 3.989 50 40 EHGB O=P(c1ccccc1)(c1ccccc1)[C@@H](O)C(Cl)(Cl)Cl 3156548 UQVWCJBHZNCXJS-CYBMUJFWSA-N 349.581 3.689 50 40 EHGB Cc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)cc1 6272712 ZPHFLZDZVUGWQQ-FYJGNVAPSA-N 347.374 3.604 50 40 EHGB COc1cc(OC)cc(C(=O)N/N=C(\C)c2ccc(Cl)cc2)c1 6685693 YQHAFFJIAVCAHA-YBFXNURJSA-N 332.787 3.511 50 40 EHGB COC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccs1 33709188 KVWGIKOMIGZPCH-RAXLEYEMSA-N 335.388 3.681 50 40 EHGB CCCCCCCCNC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1 102989968 RNDMUMLLPXFDMD-SSZFMOIBSA-N 329.400 3.978 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1Cl 172690938 LMCQBLQAKHKJNO-OQLLNIDSSA-N 326.783 3.572 50 40 EHGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)o1 408804655 ZISNAVYGQJMYCY-DGOXQSBWSA-N 341.455 3.872 50 40 EHGB N#Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3)o2)c(F)c1 408968582 XPHMOCADSSVEIP-WSDLNYQXSA-N 333.322 3.721 50 40 EHGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OC 6537675 SMWKZJQUEJCXSP-DRHRHSHTSA-N 342.439 3.696 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2ccccc2C)cc1OCC 9200818 QCJYNZGXRDOYOU-DEDYPNTBSA-N 326.396 3.556 50 40 EHGB O=C(c1cc(F)ccc1Cl)[C@H](Br)CBr 306388500 VKLIJPPAZDYNHJ-SSDOTTSWSA-N 344.405 3.820 50 40 EHGB CCn1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)c2ccccc21 409388642 VWSBDRQRQUXJKW-WJDWOHSUSA-N 332.407 3.757 50 40 EHGB C/C(=N/NC(=O)c1ccccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 5888508 ZRLHCRIYZQQBDS-NDENLUEZSA-N 341.411 3.917 50 40 EHGB Cc1ccc(/C=N/NC(=O)c2cccc(Cn3nc(C)cc3C)c2)cc1 130473 CVNASGUIPHEQOT-LPYMAVHISA-N 346.434 3.621 50 40 EHGB O=C(N/N=C/c1ccc(Br)o1)c1cc2ccccc2o1 573840 BMWJIPGGJBEHQE-LZYBPNLTSA-N 333.141 3.552 50 40 EHGB O=C(COc1ccc2c(c1)CCCC2)N/N=C/c1ccccc1Cl 4544358 RWZOXOPXZPDGDU-CIAFOILYSA-N 342.826 3.748 50 40 EHGB Cc1cc(SC#N)ccc1NS(=O)(=O)/C=C/c1ccccc1 7051376 BMBXYGKLMIIXOY-MDZDMXLPSA-N 330.434 3.981 50 40 EHGB COc1ccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)c(OC)c1 408579323 FQROGIAJZUUBAW-OQLLNIDSSA-N 325.364 3.785 50 40 EHGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)N[C@H](C)CC 408818222 NINHJDDGVPPCPZ-OVGFGYAMSA-N 332.403 3.673 50 40 EHGB CC(C)(C)C1=C(C#N)[C@H](c2ccc(Br)cc2)NC(=O)N1 409368046 MAAUZZWYQBBLIA-LBPRGKRZSA-N 334.217 3.627 50 40 EHGB N#CC1=C(N)OC2=C(CCCC2=O)[C@H]1c1ccccc1C(F)(F)F 125815 ACBGSTNSBCNUAA-CQSZACIVSA-N 334.297 3.520 50 40 EHGB O=C(N/N=C/c1cc(Br)cs1)c1c[nH]c2ccccc12 493461 WRVPLVXSLPSSJP-UBKPWBPPSA-N 348.225 3.756 50 40 EHGB COc1ccc(/C=C2\C(=O)c3ccccc3C2=C(C#N)C#N)c(OC)c1 5526742 ZUKGWPRMEXZRJG-NVMNQCDNSA-N 342.354 3.784 50 40 EHGB C=CCSc1nc2ccccc2n1C(=O)[C@@H](C)Br 5611410 DSKWAJVHVZHLKN-SECBINFHSA-N 325.231 3.738 50 40 EHGB O=C(NNC(=O)c1ccccc1F)c1cc2c(s1)CCCCCC2 8316142 CJFZVUFCZOQTPU-UHFFFAOYSA-N 346.427 3.621 50 40 EHGB O=S(=O)(N[C@@H]1CCCC[C@@H]1Cl)c1ccc(Cl)cc1Cl 8377175 ADCGQSSWGFRYNE-GXSJLCMTSA-N 342.675 3.822 50 40 EHGB Fc1c(F)c(C(F)(F)F)c(F)c(F)c1OCBr 14628549 AQZLLUWPHAEDTE-UHFFFAOYSA-N 326.993 3.993 50 40 EHGB Cc1cccc(N2C=C(C#N)S(=O)(=O)c3c(F)cccc32)c1C 38654578 IFDBMVLHXAVBGI-UHFFFAOYSA-N 328.368 3.733 50 40 EHGB O=C(N/N=C\c1ccco1)c1cc2cc(Br)ccc2o1 83252631 PIYTZYLWROKFID-PXNMLYILSA-N 333.141 3.552 50 40 EHGB CCOc1ccc(/C=N/NC(=O)CSCCc2ccccc2)cc1 408725702 GTHWXQBXZZCLEG-XSFVSMFZSA-N 342.464 3.511 50 40 EHGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3cccnc3)cc2)cc1 3335005 QTWAQLRPNVCHQK-YDZHTSKRSA-N 345.402 3.733 50 40 EHGB COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OC(C)=O 4595447 RJQIKLGATLKRSE-NTEUORMPSA-N 333.347 3.561 50 40 EHGB N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 4953718 ZQUHBDSZUHZWFJ-FMIVXFBMSA-N 327.727 3.794 50 40 EHGB CC(C)[C@H](Br)C(=O)Nc1nc2c(F)cccc2s1 20133533 GSOLZFGEMYGJAW-VIFPVBQESA-N 331.210 3.793 50 40 EHGB O=C(CCCC[C@@H]1CCSS1)Nc1ccc2nc[nH]c(=O)c2c1 69501603 UMXAFDFDTMSYAV-GFCCVEGCSA-N 349.481 3.576 50 40 EHGB biogenic N#C/C(=C\c1ccc(Br)o1)C(=O)Nc1ccccc1F 534923 MVKYUCOABPJWOW-VQHVLOKHSA-N 335.132 3.727 50 40 EHGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)o2)cc1 4280966 OVLDWNIUTPJXAN-UDWIEESQSA-N 349.346 3.927 50 40 EHGB CCC(CC)C(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccco2)cc1 4507195 SYNQBWXKSKJQNB-FYJGNVAPSA-N 341.411 3.808 50 40 EHGB CCc1ccccc1NC(=O)C/C(C)=N\NC(=O)c1cccc(F)c1 100028979 AKBWXSDACQPODT-XKZIYDEJSA-N 341.386 3.523 50 40 EHGB Cc1ccc(C(=O)N/N=C\c2ccc(-c3cccc(C(=O)O)c3)o2)cc1 195752249 AWPBJPBYDCWXHT-MTJSOVHGSA-N 348.358 3.717 50 40 EHGB CCCCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)CC)cc1OC 408806917 CDNSQCOCPGBXKH-DSQDWWTGSA-N 330.428 3.696 50 40 EHGB C#CCOc1cccc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)c1 408933556 ATUQECWSUPRXMT-PDGQHHTCSA-N 330.387 3.861 50 40 EHGB CCCc1[nH]nc2c1[C@H](c1ccc3ccccc3c1)C(C#N)=C(N)O2 5130805 FJHAAVBYMNMYOB-QGZVFWFLSA-N 330.391 3.734 50 40 EHGB CC/C(Cc1ccccc1)=N\NC(=O)[C@@H](C)Nc1ccccc1OC 15930918 NYKSTTPHHJWEMC-HDHZYAPQSA-N 339.439 3.621 50 40 EHGB C/C(=N\NC(=O)c1ccccc1F)c1ccc(Br)s1 17071335 DWQJGHQFYPDMMF-LZYBPNLTSA-N 341.205 3.804 50 40 EHGB CCOc1ccccc1OCC(=O)N/N=C/c1cccc2ccccc12 20100760 ZICNIKSHHHFSLQ-HYARGMPZSA-N 348.402 3.768 50 40 EHGB C/C(=N\NC(=O)c1ccccc1O)c1sc(C(C)(C)C)nc1C 41699615 ADOQCSUFYOGOMH-YBFXNURJSA-N 331.441 3.609 50 40 EHGB Cc1ccc(C(=O)NNC2=C(C(=O)C(F)(F)F)CCCCC2)cc1 59489000 BDAYAIOSDWGPDS-UHFFFAOYSA-N 340.345 3.579 50 40 EHGB CC[C@H](Br)C(=O)Nc1sc2c(c1C#N)CCCC2 61488429 JWKVZVBUSXPEQT-JTQLQIEISA-N 327.247 3.611 50 40 EHGB CC1=C(C#N)C(=O)N=C(O)/C1=C\Nc1ccc(SC#N)c(Cl)c1 100101170 YYMHSUICTSMGLN-WDZFZDKYSA-N 344.783 3.546 50 40 EHGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C(\C#N)c1nc2ccccc2[nH]1 100927399 CWHFDDFYBFKDPR-UKYUDJEDSA-N 341.374 3.509 50 40 EHGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1F 243879 GHTZLZQKGKPAEM-UFWORHAWSA-N 341.169 3.662 50 40 EHGB COc1cc(/C(C#N)=C/c2ccc(F)cc2)c([N+](=O)[O-])cc1OC 495087 QITOLPPTJAXYKE-KPKJPENVSA-N 328.299 3.815 50 40 EHGB CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C/c2ccc(O)cc2)cc1 4724491 JADDGTMWLWPGFM-NURUNYDYSA-N 336.435 3.944 50 40 EHGB COc1ccc2cc(/C(C)=N/NC(=O)c3ccc(O)cc3)ccc2c1 5163670 HSYNEAPEVGJKOV-FYJGNVAPSA-N 334.375 3.708 50 40 EHGB CC1=C(/C=C\C(C)=N\NC(=O)c2ccc[n+](C)c2)C(C)(C)CCC1 31949258 OTNFPJUOQLERLJ-CHZWLKHESA-O 326.464 3.700 50 40 EHGB C#CCn1c(C)c(/C=N/NC(=O)Cc2ccc(C)cc2)c2ccccc21 512010 BMUGHZFAEXECPF-HZHRSRAPSA-N 343.430 3.584 50 40 EHGB O=C(Nc1ccc(F)c(Cl)c1)[C@H](Cl)C(=O)c1ccccc1 5753077 JIZFXHQHMNYISC-CYBMUJFWSA-N 326.154 3.908 50 40 EHGB N#CC(C#N)=Cc1ccc(-c2ccccc2I)o1 16450629 UYPICMWMAUUESY-UHFFFAOYSA-N 346.127 3.982 50 40 EHGB COc1ccc(Cl)cc1/C=C\C=N\NC(=O)c1cccc(C)c1O 16923173 SUGXKZVTAOBFRX-MDZKDAFXSA-N 344.798 3.792 50 40 EHGB O=C(N/N=C/c1ccccc1Cl)c1cc(-c2ccc(F)cc2)n[nH]1 232722 BPIYYZWFVHETIX-KEBDBYFISA-N 342.761 3.633 50 40 EHGB N#C/C(=C\c1cccc(Br)c1)C(=O)NC1CCCCC1 561579 NUTLHLRKLABDMM-UKTHLTGXSA-N 333.229 3.805 50 40 EHGB Cc1cc(C)nc(NNC(=O)Nc2ccc(Cl)c(Cl)c2)n1 16500169 GOXHHVILHUFZCJ-UHFFFAOYSA-N 326.187 3.549 50 40 EHGB O=C(N/N=C\C(Br)=C\c1ccccc1)c1ccc(F)cc1 30822055 DDIIRZQBKNPUTJ-UGFKSEECSA-N 347.187 3.977 50 40 EHGB COc1cccc(-c2cc(C(=O)N/N=C\C=C\c3ccccc3)[nH]n2)c1 33929252 PKGZJIVVVQEFBT-MIAABOGCSA-N 346.390 3.514 50 40 EHGB COc1cc(/C=N/NC(C)=O)ccc1OCc1cccc2ccccc12 58822661 MNRMYJPLLVVFBY-LPYMAVHISA-N 348.402 3.897 50 40 EHGB C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)c1cccs1 100510110 JTPQJFOTVOUMPJ-VCHYOVAHSA-N 335.816 3.536 50 40 EHGB N#CC(C#N)=CN=c1ccn(Cc2ccc(Cl)cc2Cl)cc1 535155 ZNKZJFNZLZIBKB-UHFFFAOYSA-N 329.190 3.675 50 40 EHGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)O 2774114 IMVJSWZAAFAEJC-FMIVXFBMSA-N 326.739 3.584 50 40 EHGB CN1C(=O)N2C=CC=CC2=C(C#N)[C@@]1(c1ccccc1)C(F)(F)F 6551165 JFFZEDYUSHLTLQ-INIZCTEOSA-N 331.297 3.673 50 40 EHGB Cc1ccc(-c2[nH]ncc2/C=C(\C#N)C(=O)NC2CCCCC2)cc1 13111570 HHHXDQBIMDEZSR-LFIBNONCSA-N 334.423 3.741 50 40 EHGB CCCOc1ccc(/C=N\NC(=O)COc2cccc(CC)c2)cc1 31858888 WRYGXUPNGLSKPR-STZFKDTASA-N 340.423 3.567 50 40 EHGB N#C/C(C(=O)c1ccc2c(c1)OCCO2)=C1/Nc2ccccc2S1 100846666 RTAXXIJBDVTMIW-LDADJPATSA-N 336.372 3.593 50 40 EHGB COc1ccc2ccc(OC)c(/C=N\NC(=O)c3ccc(C)cc3)c2c1 409004543 ALAXXRAFHRQHKJ-XKZIYDEJSA-N 348.402 3.929 50 40 EHGB N#CCn1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c2ccccc21 409376340 XGGWFIKZHPNGAW-KAMYIIQDSA-N 344.349 3.850 50 40 EHGB COc1ccc2[nH]c(C(=O)N/N=C(\C)c3ccc(Cl)cc3)cc2c1 9095110 CQOXEPXZUOKUDL-SRZZPIQSSA-N 341.798 3.984 50 40 EHGB O=C(NN=C(c1ccccc1)c1ccccc1)[C@@H]1Cc2ccccc2O1 29471927 DXJQCFUBMQRARQ-FQEVSTJZSA-N 342.398 3.559 50 40 EHGB COc1ccc(/C=N\NC(=O)c2ccc(C)cc2)cc1Br 33328106 VDMDHSNICBJFFO-ZDLGFXPLSA-N 347.212 3.530 50 40 EHGB CNC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C 573833 GKRXITJYIZMFFC-ZSOIEALJSA-N 347.340 3.766 50 40 EHGB C=CCOc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1OC 7893962 ZMRGFNGRJNNGFN-UDWIEESQSA-N 344.798 3.677 50 40 EHGB CCOc1c(Cl)cc(/C=N/NC(=O)c2ccccc2)cc1OC 7930308 PNHVGSNZMHPARN-YBFXNURJSA-N 332.787 3.511 50 40 EHGB O=C(Cc1ccc2c(c1)OCO2)NN(c1ccccc1)c1ccccc1 69701664 PNNMVYNTYHPPRJ-UHFFFAOYSA-N 346.386 3.827 50 40 EHGB COc1cccc([C@@H]2[C@@H]3C[C@@H](C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 100670602 LWQBCYAGJBCXKH-BOFPYLFWSA-N 344.418 3.535 50 40 EHGB CCn1c(C)c(/C=N/NC(=O)CNc2ccc(C)cc2)c2ccccc21 408526669 CZSLKPROWSZMIQ-YDZHTSKRSA-N 348.450 3.840 50 40 EHGB C/C(=N\NC(=O)c1ccoc1C)c1ccc(Br)s1 369449 RYMHVTMFGBYGFD-VGOFMYFVSA-N 327.203 3.566 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)OCc2ccc(Cl)cc2)cc1 2888450 QHIMXJLOPHPOKX-XNTDXEJSSA-N 327.767 3.999 50 40 EHGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 12339029 AOOCURVXVIMUPJ-ZSOIEALJSA-N 340.335 3.685 50 40 EHGB Cc1ccc(CC(=O)N/N=C/c2cccc(Br)c2)cc1C 408566546 HPUJTXSGPYGIJK-YBFXNURJSA-N 345.240 3.759 50 40 EHGB C=CCn1c(C)c(/C=N/NC(=O)c2ccccc2O)c2ccccc21 409039787 DNGQGIMMXTXAEE-FYJGNVAPSA-N 333.391 3.605 50 40 EHGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)NC2CCCC2)c(OC)c1 409191631 JSHIEMPYPXFGAN-VBKFSLOCSA-N 341.455 3.507 50 40 EHGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 12403679 PLUTZZBLMSXHOX-DEDYPNTBSA-N 333.347 3.902 50 40 EHGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1cccnc1 59445190 XJJOBDOXQNGKAA-FSJBWODESA-N 349.365 3.564 50 40 EHGB C[C@H](C(=O)Nc1ccc(SC#N)cc1[N+](=O)[O-])c1ccccc1 95471096 WABRXMXYJQZMJT-NSHDSACASA-N 327.365 3.910 50 40 EHGB C/C(=N\NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccccc1O 409127571 NZXGTYIIHTVBSQ-NFECSFHCSA-N 328.437 3.722 50 40 EHGB C=CCn1cc(/C=C(\C#N)C(=O)Nn2c(C)ccc2C)c2ccccc21 409379797 ZNPCLOUDSDKFFL-SFQUDFHCSA-N 344.418 3.923 50 40 EHGB COc1ccc2cc(C(=O)N/N=C/c3cc(C)ccc3O)ccc2c1 227570 KNZHNGUDRZEDKU-CIAFOILYSA-N 334.375 3.626 50 40 EHGB O=C(CCCCc1cccs1)N/N=C/c1ccc([N+](=O)[O-])cc1 2728617 YZWDRHGBHKLYAT-SFQUDFHCSA-N 331.397 3.519 50 40 EHGB Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N/N=C/c1ccccc1O 3167154 MIBGPOABHPBNRO-VRCTWVPOSA-N 340.423 3.742 50 40 EHGB O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccc(O)cc1 3574552 FXXGGHWEHAALAU-KGENOOAVSA-N 332.359 3.948 50 40 EHGB N#CC1=C(S)N(c2ccc(Cl)cc2)[C@H](c2cccs2)NC1=O 4514002 RUHVAQQLGIFAKQ-CYBMUJFWSA-N 347.852 3.701 50 40 EHGB CN(NC(=O)CCCc1nc2ccccc2s1)c1ccccc1 10737559 KVBPIRHRGFWEMJ-UHFFFAOYSA-N 325.437 3.787 50 40 EHGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(OC)ccc1OC 67190151 QVKFTQFXBVSOLX-LFIBNONCSA-N 336.391 3.812 50 40 EHGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c2c(c1)C[C@@H](C)O2 96316198 SZDFACQABXWMHJ-IREQLNLFSA-N 348.402 3.873 50 40 EHGB COc1ccc(NC2=N[C@@H]3CCC[C@H](Br)[C@H]3S2)cc1 254815321 OOJRPMYTTWBFHT-YNEHKIRRSA-N 341.274 3.895 50 40 EHGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC(C)C)c(OC)c1 408805618 HJARPLAJLIHZRB-BRYYZUPOSA-N 330.428 3.552 50 40 EHGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)N[C@@H](C)CC 408818228 NINHJDDGVPPCPZ-XOAFGZPJSA-N 332.403 3.673 50 40 EHGB O=C(N/N=C\c1ccc(N2CCCC2)c(F)c1)Nc1ccccc1 409088387 LJIJBQUYXOCWIO-MOSHPQCFSA-N 326.375 3.582 50 40 EHGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccccn1 409235873 CYDFWNJMQGNQJK-AQTBWJFISA-N 348.450 3.845 50 40 EHGB O=C(N/N=C/c1ccccc1Cl)c1ccc(N2CCCC2)cc1 7384137 HFCBHHKHDVLUON-DEDYPNTBSA-N 327.815 3.704 50 40 EHGB C=CCc1cc(/C=N/NC(=O)c2ccc(C)cc2)cc(OCC)c1O 59249084 RHZPHNYZOHYTCD-FYJGNVAPSA-N 338.407 3.592 50 40 EHGB O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1ccc(Cl)cc1 409098842 MHZKZVUPXQEDTG-CIAFOILYSA-N 345.805 3.843 50 40 EHGB COC(=O)c1c(NC(=O)CCl)sc2c1CC[C@H](C(C)(C)C)C2 29083 LEXHZPQATFJOEJ-VIFPVBQESA-N 343.876 3.863 50 40 EHGB O=C(N/N=C/c1ccc(O)cc1O)c1sc2ccccc2c1Cl 585181 FYVIJSPXVSQFMY-QGMBQPNBSA-N 346.795 3.730 50 40 EHGB O=C(N/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 1679919 XTXXYGLJPLHYKV-VNIJRHKQSA-N 335.194 3.661 50 40 EHGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 3099969 RIKACHQKGJINAB-CAOOACKPSA-N 338.150 3.666 50 40 EHGB Cc1cccc(C)c1NC(=S)NNC(=O)c1ccc(Cl)cc1 5274172 WYUOGMXNDWLYMQ-UHFFFAOYSA-N 333.844 3.588 50 40 EHGB C=C(C)CN(CC)C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C 42706222 PCPZZCVWMGPTKD-MWJIIQFGSA-N 343.471 3.644 50 40 EHGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(N2CCCC2)o1 59138240 MGSRGCOMJHBUFJ-PXLXIMEGSA-N 347.418 3.726 50 40 EHGB N#CCC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 59447379 ZNBCPLGEDISKTM-OEAKJJBVSA-N 343.386 3.783 50 40 EHGB CC1(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)OCCO1 47283 XNHSMAZJKPEHAV-HYARGMPZSA-N 348.402 3.596 50 40 EHGB C[C@H](NC(=O)/C(C#N)=C/C1=Cc2ccccc2OC1)c1ccccc1 516891 NDXQVQJZEAQLLM-UZUMKDMXSA-N 330.387 3.790 50 40 EHGB COc1cccc(N2[C@@H](Cl)C(=O)[C@@H]2c2c[nH]c3ccccc23)c1 5550379 CDBNCKGMNLGJJQ-FUHWJXTLSA-N 326.783 3.872 50 40 EHGB NC(=O)N/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 7099541 VVUQMPKTJMYSDH-FSJBWODESA-N 342.402 3.845 50 40 EHGB C/C(=N/NC(=O)c1cc(-c2ccc(C)s2)n[nH]1)c1ccc(C)cc1 12447458 QAGYGVFONLLDNP-UYRXBGFRSA-N 338.436 3.909 50 40 EHGB O=C(Cc1ccccc1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 552139 FEFVLABKKMWIFD-DEDYPNTBSA-N 349.346 3.548 50 40 EHGB CC[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccs3)[C@H]2C1 809417 ISOIGZZSWATPCY-RVSPLBMKSA-N 334.448 3.978 50 40 EHGB CCCCC(=O)Oc1ccc(/C=C(\C#N)C(=O)OCC)cc1OCC 1911561 XZDVMRGVNNJXKK-RVDMUPIBSA-N 345.395 3.651 50 40 EHGB N#C/C(=C\c1c(O)ccc2ccccc12)c1nnc2n1CCCCC2 5739800 IYQHHNDMTDYSGZ-NTCAYCPXSA-N 330.391 3.927 50 40 EHGB COc1cc(C)c(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OC 8300814 AWDNNEXWPRMNIL-LPYMAVHISA-N 348.402 3.929 50 40 EHGB O=[N+]([O-])c1ccc(N/N=C2/c3ccccc3[C@H]2Cl)c([N+](=O)[O-])c1 13407777 ZVJYYXUDNBIUBA-CLBVAXQTSA-N 332.703 3.613 50 40 EHGB Cc1cc(C)nc(NNC(=O)Cc2coc3ccc4ccccc4c23)n1 22233525 WSDNXORLRLXMSG-UHFFFAOYSA-N 346.390 3.679 50 40 EHGB Cc1cccc(C(=O)[C@H](Br)CBr)c1Cl 306952236 HEDZRSMVMNAIRY-MRVPVSSYSA-N 340.442 3.990 50 40 EHGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 408567969 RCNDUOIBEYRQJZ-DEDYPNTBSA-N 339.395 3.585 50 40 EHGB Cc1nc2sccn2c1C(=O)N/N=C/c1ccc(C(C)(C)C)cc1 408997889 OXCMWVLHDGRNBA-YBFXNURJSA-N 340.452 3.766 50 40 EHGB C/C(=N\NC(=O)CNC1CCCCC1)c1ccc(C(C)(C)C)cc1 409371635 XPBYZSXLMSXFNS-PXLXIMEGSA-N 329.488 3.747 50 40 EHGB Cc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)c1C 1015044 OEPIORWHQRMJEO-KEBDBYFISA-N 330.815 3.794 50 40 EHGB COc1cccc(C(=O)NNc2nc3c(Cl)cccc3s2)c1 4121354 TXBRSVHNGMLCOD-UHFFFAOYSA-N 333.800 3.715 50 40 EHGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccccc2[N+](=O)[O-])cc1 5953643 HVUHOHMEJOMBMK-KAMYIIQDSA-N 337.335 3.539 50 40 EHGB N#C/C(C(=O)CCl)=C1\NC(C23CC4CC(CC(C4)C2)C3)=CS1 13145610 BUPPYIBXFZLFDJ-SSZFMOIBSA-N 334.872 3.924 50 40 EHGB CCC(CC)=NNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 58885713 QKVACOUBKZXTEV-UHFFFAOYSA-N 349.740 3.590 50 40 EHGB O=C(NNc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1Cl 59417529 FBSAGRKIXWLDGQ-UHFFFAOYSA-N 348.771 3.615 50 40 EHGB Brc1cccc2c(CCI)c[nH]c12 60247844 FYKINJWXGGNOEJ-UHFFFAOYSA-N 349.997 3.908 50 40 EHGB COc1ccc(NC(=O)/C(C#N)=C/c2c[nH]c3ccc(OC)cc23)cc1 61719059 ATCHDSSUYWNNMZ-UKTHLTGXSA-N 347.374 3.731 50 40 EHGB O=C(NNc1ccc(F)cc1F)c1occc1COc1ccccc1 65513599 LJQQCUJDSFWABQ-UHFFFAOYSA-N 344.317 3.894 50 40 EHGB c1ccc([PH](C[C@H]2CCCO2)(c2ccccc2)c2ccccc2)cc1 104086776 XMIZWATWBNAVCK-HXUWFJFHSA-N 348.426 3.892 50 40 EHGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)c3cccnc3)cc21 208455460 YQFZTMQXPBDWEX-YDZHTSKRSA-N 348.450 3.786 50 40 EHGB Cc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C/c1c[nH]c2ccccc12 56112 CZHLSALJZSAIFI-WSDLNYQXSA-N 343.390 3.630 50 40 EHGB C/C(=N\NC(=O)COc1cc(C)c(Cl)c(C)c1)c1ccccc1 345397 JPMULKFNLABEDY-XSFVSMFZSA-N 330.815 3.876 50 40 EHGB CC(=O)Nc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 3244793 MTOGQBBUDRWSRQ-GXDHUFHOSA-N 339.782 3.844 50 40 EHGB Cc1cccc2cc(/C=N/NC(=O)[C@H]3C[C@@H]3c3ccccc3)c(O)nc12 9290682 HJFCFRRCCLYGRB-FYNNQVSNSA-N 345.402 3.503 50 40 EHGB C/C(=N\NC(=O)Cc1c(C)[nH]c2c(C)cccc12)c1cccs1 12345934 YFHNHVAXFMCNIE-DEDYPNTBSA-N 325.437 3.929 50 40 EHGB N#C/C(=C/c1cccn1-c1ccc(O)cc1)C(=O)Nc1ccc(F)cc1 15227578 UFMPQHXMOSZQKT-OWBHPGMISA-N 347.349 3.868 50 40 EHGB O=C(N/N=C/C1=Cc2ccccc2OC1)c1cc(-c2ccccc2)on1 54294659 PDSNENFQRYICOR-CIAFOILYSA-N 345.358 3.533 50 40 EHGB CSc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1 408676125 FTBLFUCKDNPODS-XSFVSMFZSA-N 339.464 3.773 50 40 EHGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc2c(cc1Cl)OCO2 408797542 GPGVMOUIRBBPTI-LVAWLBJVSA-N 346.814 3.671 50 40 EHGB COc1cc(C)c(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)cc1C(C)C 409204569 AHOKLKKFSHEJIA-QMFLXTPQSA-N 349.434 3.885 50 40 EHGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 337258 UORUFPBHRVBJCG-YRNVUSSQSA-N 345.717 3.933 50 40 EHGB Cc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(Cl)ccc32)cc1 1320701 UWULEOCCZRJTAT-UHFFFAOYSA-N 333.778 3.996 50 40 EHGB N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)NC[C@@H]1CCCO1 1452442 HWKMQMOCNNBBNB-KZFLWGQDSA-N 348.402 3.681 50 40 EHGB CCCCCCCCCCNC(=O)CI 1576770 YSZAILKODPQVOU-UHFFFAOYSA-N 325.234 3.678 50 40 EHGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCc1ccccc1)[C@H]2Br 102780739 ZPRZTROVUOVYNM-XKQJLSEDSA-N 336.273 3.893 50 40 EHGB COc1cc(OC)c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(OC)c1 409218192 TTZQUUYBHJWQTP-JYRVWZFOSA-N 340.335 3.685 50 40 EHGB Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1C 18199504 CAEOQXNMEAYKIU-QGZVFWFLSA-N 344.370 3.628 50 40 EHGB N#C/C(=C\c1cccn1Cc1ccccc1)c1nnc2n1CCCCC2 96295376 DRYJFHLGNMINEP-NBVRZTHBSA-N 343.434 3.918 50 40 EHGB BrC(Br)C1[C@H]2CCC[C@H]1C2Br 100876706 DSNGPYDYZPFEEQ-HCRKAXIXSA-N 346.888 3.912 50 40 EHGB CCOc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1OC 101730715 PGUMYZQQBBWLIQ-VZUCSPMQSA-N 343.335 3.621 50 40 EHGB CC(C)NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(F)cc1 408777849 KGGAGGHTSYPJEL-BOPFTXTBSA-N 338.382 3.836 50 40 EHGB C/C(=N\NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccc2ccccc12 409048324 SMOUGYKQYOQBEE-UDWIEESQSA-N 349.346 3.608 50 40 EHGB Cn1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c2ccccc21 409229306 MYLOOIGNPAUNNU-JXAWBTAJSA-N 343.430 3.834 50 40 EHGB C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)c1cccs1 4713829 MJBMUWXTUNBJPV-VXLYETTFSA-N 349.843 3.844 50 40 EHGB NC(=O)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 107728512 NLHOYQIMGXWGKM-UFWORHAWSA-N 338.194 3.575 50 40 EHGB C/C(=N/NC(=O)CCc1ccccc1)c1cccc(NC(=O)C2CC2)c1 5381020 ZNKRHINOURDOMS-HAHDFKILSA-N 349.434 3.508 50 40 EHGB N#CC1=C(SCc2cccc(F)c2)NC(=O)C[C@H]1c1ccco1 409136773 ZLAQKATUBKXCHT-CYBMUJFWSA-N 328.368 3.691 50 40 EHGB COc1ccc(OC)c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)c1 122440 KDESEIQLCSQKIK-UKTHLTGXSA-N 342.782 3.903 50 40 EHGB O=C(N/N=C/c1c(F)cccc1Cl)c1ccc2ccccc2n1 3371836 RVEPKBOMDLHWHU-KEBDBYFISA-N 327.746 3.791 50 40 EHGB C/C(=N\NC(=O)c1ccc(C)cc1C)c1ccc(-n2ccnc2)cc1 4863618 XMGIVIDOEQWDQZ-CJLVFECKSA-N 332.407 3.643 50 40 EHGB C/C(=N\NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1ccc(C)cc1 9324621 QIDQNTHARGUGIJ-FYJGNVAPSA-N 336.370 3.678 50 40 EHGB CC(C)(C)OC(=O)N1C(=O)OC(=O)C[C@@H]1c1ccccc1Cl 32098803 WSUFTIKGKLZUFT-LLVKDONJSA-N 325.748 3.685 50 40 EHGB Cc1c(C(=O)NNc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] 68774715 XASVMRKWOQWRHB-UHFFFAOYSA-N 339.273 3.679 50 40 EHGB CCn1nc(C)c(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1C 96316170 DBKSDFSFKINNJF-UKTHLTGXSA-N 328.803 3.719 50 40 EHGB COc1ccc(/C=C/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1 409234919 ASILFKDBKKLKBJ-HGBDCSHLSA-N 346.430 3.907 50 40 EHGB NC(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2077308 FBEXJRMRYPCAML-UFWORHAWSA-N 338.194 3.575 50 40 EHGB O=C(N/N=C/c1cccc(Br)c1)c1cccc(Cl)c1 3093556 BAQYECMRTDDCLJ-RQZCQDPDSA-N 337.604 3.866 50 40 EHGB C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1ccc(C)cc1 4735278 JGVMMOWFRSVUDN-CPNJWEJPSA-N 345.240 3.840 50 40 EHGB O=C(N/N=C/c1ccccc1Br)c1ccccc1Cl 6672704 ZTHFEWUEPXGALE-RQZCQDPDSA-N 337.604 3.866 50 40 EHGB CC/C(=N\NC(=O)c1ccccc1C)c1ccc(OC)cc1OC 13595242 GWMKUWNLABXZPP-LVZFUZTISA-N 326.396 3.556 50 40 EHGB C/C(CCc1ccccc1)=N\NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 408784348 BCVBTNZBZYOMST-XDHOZWIPSA-N 345.786 3.987 50 40 EHGB O=C(N/N=C/c1ccccc1Cl)c1ccc(Br)cc1 257100 XNUOIPOSWVYHHV-RQZCQDPDSA-N 337.604 3.866 50 40 EHGB CSc1ccc(/C=N/NC(=O)COc2cc(C)ccc2C)cc1 566495 CMFLXJHAPDHHHX-YBFXNURJSA-N 328.437 3.554 50 40 EHGB C/C(=N\NC(=O)COc1ccccc1F)c1ccc2ccccc2c1 5164460 PPUVOEGXMXBSIG-HYARGMPZSA-N 336.366 3.898 50 40 EHGB O=C(CBr)c1c(Br)ccc(Cl)c1F 98210711 VIQIMEJKLUENCG-UHFFFAOYSA-N 330.378 3.819 50 40 EHGB CS/C(NCc1ccncc1)=C(/C#N)C(=O)c1ccc(Cl)cc1 100381872 ZOYFHKUGJXSZBF-ICFOKQHNSA-N 343.839 3.806 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)cc1 137998 CRTZYGFKZXHLNS-FYJGNVAPSA-N 349.390 3.813 50 40 EHGB CC(C)COc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1 536355 QQAUZFWKGSLJCS-WSDLNYQXSA-N 335.407 3.967 50 40 EHGB O=C(CCl)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 4204891 WCNGHJWXHCWDNG-QPJJXVBHSA-N 343.810 3.743 50 40 EHGB CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1ccsc1 4751949 OJMGWNRYMIEXPE-INIZCTEOSA-N 340.404 3.893 50 40 EHGB Cc1n[nH]c2c1[C@@H](c1ccc(-c3ccccc3)cc1)C(C#N)=C(N)O2 4904724 ARBYUFGFBRTZEE-SFHVURJKSA-N 328.375 3.603 50 40 EHGB CC(C)CC(=O)NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 24752056 RYDWZQWMOKIZFA-SFHVURJKSA-N 342.464 3.714 50 40 EHGB CNC(=O)/C(C#N)=C\c1cc2c(cc1Cl)N(C)C(C)(C)C[C@@H]2C 208238366 FGAFOOFZBCKRCB-RYPVXOHGSA-N 331.847 3.715 50 40 EHGB COC(=O)c1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1 408971145 MWVFMBZTNJPFSN-NTEUORMPSA-N 340.766 3.672 50 40 EHGB Cc1ccc2nc(Cl)c(/C=N/NC(=O)c3ccccc3O)cc2c1 2194524 RSIWUSHFTQTAFQ-KEBDBYFISA-N 339.782 3.666 50 40 EHGB COc1ccccc1C(=O)NNc1nc2c(Cl)cccc2s1 4121370 NABUNDXYTRHZKO-UHFFFAOYSA-N 333.800 3.715 50 40 EHGB CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccccc1 26967724 PSMFERSTHFXRGG-GHRIWEEISA-N 342.402 3.582 50 40 EHGB COC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 211341461 IKRIDIRVSCDVEW-TWGQIWQCSA-N 332.699 3.588 50 40 EHGB C=C1CC(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C1 408733386 HWKIYKWNVBSRIP-VXLYETTFSA-N 339.351 3.580 50 40 EHGB C/C(=N\NC(=O)c1cc(C2CC2)n[nH]1)c1cc(Cl)cc(Cl)c1 4677765 YGECQGYCZLJZDV-QGMBQPNBSA-N 337.210 3.748 50 40 EHGB CCN(CC)c1ccc(C(=O)N/N=C(\C)c2cccc(OC)c2)cc1 5119590 OAIKJZOOHJANQQ-RCCKNPSSSA-N 339.439 3.695 50 40 EHGB Cc1ccccc1COc1cccc(/C=N/NC(=O)c2ccncc2)c1 5884491 GEYJICCXFAVDAY-OEAKJJBVSA-N 345.402 3.733 50 40 EHGB C[C@H](Br)C(=O)Nc1sc2c(c1C#N)[C@H](C)CCC2 18195245 KVOARZXEXIECCW-SFYZADRCSA-N 327.247 3.781 50 40 EHGB CCCCCC(=O)NNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 24865984 FQQJWYLWWYDYMO-UHFFFAOYSA-N 345.418 3.575 50 40 EHGB O=C(NNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C2)c1sc2ccccc2c1Cl 100335378 LAZRVSMNESJTSW-CKYFFXLPSA-N 348.855 3.752 50 40 EHGB CCOc1ccccc1/C=N/NC(=O)c1ccc(Br)cc1 3468837 LXKQXWALRKCTHL-WOJGMQOQSA-N 347.212 3.612 50 40 EHGB Cc1cccc(/C=N/NC(=O)c2cc(C3CC3)nc3ccccc23)n1 4897943 PEYXKINTWJXPGN-CIAFOILYSA-N 330.391 3.580 50 40 EHGB C/C(=N/NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1 16789638 LXDKLAVZAGBVHS-NDENLUEZSA-N 338.798 3.884 50 40 EHGB CC[C@H](Br)C(=O)Nc1nc2c(F)cc(F)cc2s1 20132329 AWMZQOQTNONOBE-LURJTMIESA-N 335.173 3.687 50 40 EHGB Cc1cc(/C=N/NC(=O)c2ccccc2O)c(C)n1-c1ccccc1 58927441 GZBLAPPXHLOVSR-FYJGNVAPSA-N 333.391 3.564 50 40 EHGB C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)c1ccccc1F 100090240 FHVNYIABSXWOLT-SRZZPIQSSA-N 347.777 3.614 50 40 EHGB CCO[C@]1(c2ccccc2)C[C@H]1C(=O)N/N=C/[C@H](C)c1ccccc1 105310950 UIBFZWQDCJLLTE-NKYICGLYSA-N 336.435 3.844 50 40 EHGB CCO[C@@]1(c2ccccc2)C[C@H]1C(=O)N/N=C/[C@H](C)c1ccccc1 105310954 UIBFZWQDCJLLTE-LWIWNHJTSA-N 336.435 3.844 50 40 EHGB Cc1c(/C=N/NC(=O)c2ccccc2)c(Cl)nn1-c1ccccc1 408893306 LZBLKBCUDNJQDN-UDWIEESQSA-N 338.798 3.598 50 40 EHGB COc1ccccc1/C=N\NC(=O)c1cc2cc(Cl)ccc2o1 409022935 IJWWCDLTYUXQTO-GRSHGNNSSA-N 328.755 3.859 50 40 EHGB O=S(=O)(N[C@@H]1CCCC[C@H]1Cl)c1ccc(Cl)cc1Cl 8377182 ADCGQSSWGFRYNE-MWLCHTKSSA-N 342.675 3.822 50 40 EHGB Clc1ccc(CBr)cc1I 59268330 VMHYVBHSCYXWHM-UHFFFAOYSA-N 331.378 3.840 50 40 EHGB in-vitro O=C(COc1ccc2ccccc2c1)N/N=C\c1c[nH]c2ccccc12 66330632 BQFFRKSVMIPTBD-QRVIBDJDSA-N 343.386 3.850 50 40 EHGB O=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 97949849 CUPWBYQOIFVEGA-UHFFFAOYSA-N 332.496 3.855 50 40 EHGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccccc1F 320354 FXSZAHRZGGPMLZ-DJKKODMXSA-N 336.819 3.863 50 40 EHGB O=C1[C@@H](Cl)N(c2ccccc2[N+](=O)[O-])[C@@H]1c1c[nH]c2ccccc12 5594150 FOGCFESHGCMFAM-WBVHZDCISA-N 341.754 3.771 50 40 EHGB Cc1ccc(C)c(NC(=O)CCC(=O)N/N=C2/CCC[C@H](C)C2)c1 12403983 AICODQKDWKVNLT-JPDJOPTESA-N 329.444 3.704 50 40 EHGB COc1cc(/C=N\NC(=O)CSc2ccc(Cl)cc2)ccc1C 32926472 HTHYFPSGXJDASN-GRSHGNNSSA-N 348.855 3.899 50 40 EHGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC 213903071 BUJOTWUOLDEZQB-WJDWOHSUSA-N 336.391 3.948 50 40 EHGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2 408788457 DEEFFARIHLAXPB-AWNIVKPZSA-N 340.766 3.923 50 40 EHGB N#C/C(=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)C(N)=O 408868558 MWSUAUMURRMVHS-LFIBNONCSA-N 346.361 3.950 50 40 EHGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2ccncc2)cc1Cl 409019608 ZXBAWBNHVAXNDX-ZICWZVMQSA-N 331.803 3.676 50 40 EHGB N#C[C@H](C(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1 409207587 YASAGMJAXFHVOZ-ANKPHQHTSA-N 332.190 3.751 50 40 EHGB CC(C)(C)C1=C(C#N)[C@H](c2cccc(Br)c2)NC(=O)N1 409371459 IWMNNYHSRQWAMF-LBPRGKRZSA-N 334.217 3.627 50 40 EHGB Cc1cc(OCC(=O)N/N=C/c2c[nH]c3ccccc23)ccc1Cl 587229 CWIXOKPRBLOXJI-UFFVCSGVSA-N 341.798 3.659 50 40 EHGB Cc1ccc(NCC(=O)N/N=C/c2c(O)ccc3ccccc23)c(C)c1 588372 YLFAYEFIJCRICZ-FSJBWODESA-N 347.418 3.724 50 40 EHGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(F)cc1 4614954 YOHSCARYTFVKKY-MDWZMJQESA-N 325.299 3.588 50 40 EHGB CC(=C\c1ccco1)/C=C(\C#N)C(=O)NCCc1c[nH]c2ccccc12 5092871 OBVNCGAMONCIBT-NUWWJRQUSA-N 345.402 3.973 50 40 EHGB N#C/C(=C\c1cc([N+](=O)[O-])c(O)cc1Cl)c1nc2ccccc2[nH]1 5323676 NRNDIFMFCBWXOG-BJMVGYQFSA-N 340.726 3.894 50 40 EHGB N#C/C(=C/Nc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 5485799 PXDNWAMAPJYBRF-RAXLEYEMSA-N 336.775 3.730 50 40 EHGB O=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccccc1O 5868586 QFVJHYPEYPPEOO-UHFFFAOYSA-N 344.414 3.963 50 40 EHGB O=C(N/N=C(\c1ccccc1)c1cccnc1)[C@@H]1C[C@@H]1c1ccccc1 5947861 QJWSRPGCTHQLEV-OJMCFHKUSA-N 341.414 3.754 50 40 EHGB CCN(CCO)c1ccc(/C=C(\C#N)C(=O)c2ccccc2)c(C)c1 6545231 MFYJGGPWJXKPGO-XMHGGMMESA-N 334.419 3.604 50 40 EHGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccccn3)cc21 208203865 OTTSOVLYUQZXRN-KOUDTOEKSA-N 336.439 3.568 50 40 EHGB COC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 210595385 JFJLIDLVSIYGRJ-TWGQIWQCSA-N 332.699 3.588 50 40 EHGB O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccccc1[N+](=O)[O-] 257075 JJEJQINYBOJFLO-CAOOACKPSA-N 338.150 3.666 50 40 EHGB Cc1oc(C)c2c(=O)ccc3c(c12)OC(N)=C(C#N)[C@@H]3c1ccccc1 2193885 MXUJAKDFMUGPHN-LJQANCHMSA-N 344.370 3.628 50 40 EHGB COc1cccc(/C(C)=N/NC(=O)CCSc2ccccc2)c1 4509051 QPVFQCNQNCYLRM-XMHGGMMESA-N 328.437 3.718 50 40 EHGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4953644 QUTNNMDJBZWEJW-YRNVUSSQSA-N 345.717 3.933 50 40 EHGB C/C(=N\NC(=O)c1ccc(Br)cc1)c1ccc(C)cc1 5362874 GTQQAHNYWMMCAL-LDADJPATSA-N 331.213 3.912 50 40 EHGB N#C/C(=C/c1c[nH]c2ccccc12)C(=O)NCCCc1ccccc1 213739241 ADDRCTWFIIQMCL-LGMDPLHJSA-N 329.403 3.824 50 40 EHGB COc1cccc(/C=C(/C#N)c2ccc(F)cc2)c1O[C@H](C)C(=O)O 409240193 FUFUMYHNRLGBHD-DYTQJMLRSA-N 341.338 3.750 50 40 EHGB C/C(=N/NC(=O)[C@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 268142 JPRMBGGINQSRFU-SMLKNPDNSA-N 337.206 3.567 50 40 EHGB CCOC(=O)c1c(NC(=O)N/N=C/CC(C)C)sc2c1CCC2 3958815 DYWNTVOKUOAKEY-RQZCQDPDSA-N 337.445 3.567 50 40 EHGB O=C(N/N=C\c1c2ccccc2cc2ccccc12)c1cnccn1 4646760 OXVCGZGKFNMBGD-FMCGGJTJSA-N 326.359 3.547 50 40 EHGB C/C(=N/NC(=O)c1ccc(C(C)(C)C)cc1)c1cc(O)ccc1O 4673415 GAROSAFEDUICFV-NDENLUEZSA-N 326.396 3.549 50 40 EHGB CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1OC 7158008 HNUNXPRXXQGFHE-BQVPINLBSA-N 342.439 3.696 50 40 EHGB CCc1ccccc1/C=C(\C#N)C(=O)NCCc1c[nH]c2ccccc12 8088030 WDUHYIIGUKHPFB-CPNJWEJPSA-N 343.430 3.996 50 40 EHGB O=C(N/N=C\c1cccc(Br)c1)c1cc2ccccc2o1 83252670 IBGUUWGDJIJYOQ-ZDLGFXPLSA-N 343.180 3.959 50 40 EHGB NC(=O)NN=C1[C@H]2CCC[C@@H]1[C@H](c1ccccc1)N[C@@H]2c1ccccc1 96436040 BNJXNKFPPJGIBR-SEXKYXSUSA-N 348.450 3.513 50 40 EHGB CSc1ccc(/C=N/NC(=O)COc2c(C)cccc2C)cc1 491585 DOTSUCXNPAOVFS-YBFXNURJSA-N 328.437 3.554 50 40 EHGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1O 15219519 RQSVSHOGASGGGV-YBEGLDIGSA-N 336.391 3.953 50 40 EHGB O=C(CCl)N(Cc1cccnc1)c1cccc2c(O)cccc12 199754806 KEVBCQCTKVMQBV-UHFFFAOYSA-N 326.783 3.712 50 40 EHGB N#C/C(=C/c1ccccc1Br)C(=O)Nc1ccc(O)cc1 409376208 VYMATPGPFZEECB-XFXZXTDPSA-N 343.180 3.700 50 40 EHGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OC)c1 141975 WPEBTTMOXQGIEQ-HXUWFJFHSA-N 349.434 3.760 50 40 EHGB C[C@H]1CN(c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)C[C@H](C)O1 4134675 GBWJTTGKDHSPMT-CAMKDYJDSA-N 348.406 3.834 50 40 EHGB C/C(=N\NC(=O)c1ccccc1Br)c1ccc(F)cc1 5159537 JCKKYNIPYHHYFI-VCHYOVAHSA-N 335.176 3.742 50 40 EHGB CC1=C[C@@H](C)[C@H]2CO[C@H](c3ccccc3)[C@@H]1[C@@H]2COC(=O)CCl 35360909 WDVFWRCDJREHFA-UZTWOCRJSA-N 334.843 3.985 50 40 EHGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)o1 39127430 FYPNXOZAXNGUFT-QBFSEMIESA-N 327.359 3.811 50 40 EHGB CC(C)Oc1ccccc1/C=C(/C#N)C(=O)c1ccc2c(c1)OCO2 48345515 ICTVPPLPTNJHPR-SXGWCWSVSA-N 335.359 3.992 50 40 EHGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cccc(Br)c1 100176913 ILBXUJRFLDGOKY-SUBNYSPWSA-N 335.245 3.726 50 40 EHGB O=C(Nc1ccccc1-c1nc(-c2ccncc2)no1)C(Cl)Cl 101632842 JQGILWTVXMEWTO-UHFFFAOYSA-N 349.177 3.541 50 40 EHGB C[C@@H]1[C@@H](C)[N+]1=P(c1ccccc1)(c1ccccc1)c1ccccc1 104116549 HCQAUQFRBXWIJO-RTBURBONSA-N 332.407 3.967 50 40 EHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(CC)cc2)cc1 213128535 WSRJRXMBWPWETD-AQTBWJFISA-N 348.402 3.971 50 40 EHGB N#CC1=C(c2ccc(Cl)cc2)c2ccc3cccnc3c2O[C@@H]1N 226758302 LVQCARGHSVGTGU-IBGZPJMESA-N 333.778 3.891 50 40 EHGB N#C/C(=C\c1c(Cc2cccc(F)c2)ccc2ccccc12)C(N)=O 408868948 QBWVBGJXHHDMKF-SFQUDFHCSA-N 330.362 3.962 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(O)c1 408894679 KJPMOZQTJUQMPJ-MDWZMJQESA-N 342.782 3.908 50 40 EHGB Cc1ccc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)c(C)c1 2620482 IDYMEZMESHNQQB-UHFFFAOYSA-N 348.855 3.510 50 40 EHGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc2c(c1)COC2 100947982 CKTDTCIPONBGHU-SOFYXZRVSA-N 340.386 3.725 50 40 EHGB CN(Cc1ccccc1)C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1 6343639 FADHWBZYAXAZHD-WJDWOHSUSA-N 342.345 3.854 50 40 EHGB C[C@@H](/C=N/NC(=O)CC1CCCCC1)Cc1ccc2c(c1)OCO2 4614630 DOHHCSLZWYVKOK-MQMKENTISA-N 330.428 3.666 50 40 EHGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\C=C\c1ccccc1[N+](=O)[O-] 585145703 BAWPPOCLJNFCOX-ZJQQMOMZSA-N 339.395 3.753 50 40 EHGB COc1cccc(/C=N/NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c1 4381069 QBVRRSXUBBQXFZ-ZMSUCUHFSA-N 341.238 3.737 50 40 EHGB COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1O 184443 UOMYUIVWFJEXAV-IBGZPJMESA-N 344.370 3.772 50 40 EHGB Cc1cc(C)c2nc(NNC(=O)c3ccc(N(C)C)cc3)sc2c1 4061274 JAIKTPFTEHCBTK-UHFFFAOYSA-N 340.452 3.736 50 40 EHGB COc1cc(C(=O)N/N=C2/C[C@@H](C)CC(C)(C)C2)cc(OC)c1OC 8240535 VJKBRMQTBWQOSP-KMCFQHSYSA-N 348.443 3.644 50 40 EHGB Cc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c(C)n1C1CCCC1 8334230 IJDKBFFXSHQGBT-RXULLKCLSA-N 348.450 3.978 50 40 EHGB C=CCOc1ccc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)cc1 48332174 BHZUREWJMKXJMN-YBEGLDIGSA-N 333.343 3.770 50 40 EHGB O=C(CCCC[C@H]1CCSS1)NCCn1cnc2ccccc21 79489842 VJTDRROBRMNLQI-AWEZNQCLSA-N 349.525 3.867 50 40 EHGB N#C/C(=C/c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 98005737 WGNJOADXYCCTNE-WQLSENKSSA-N 327.727 3.794 50 40 EHGB Cc1cc(Cl)ccc1C(=O)[C@H](Br)CBr 307273997 LLEMOWAFZRHNHT-SECBINFHSA-N 340.442 3.990 50 40 EHGB C=CCOc1cccc(/C=N/NC(=O)CSc2ccc(C)cc2)c1 408833253 XBQUNMVQTCMIFP-DEDYPNTBSA-N 340.448 3.802 50 40 EHGB O=C(CSc1ccccc1)N/N=C/c1ccccc1C(F)(F)F 408859606 ODPGMLBRIFYUHX-KEBDBYFISA-N 338.354 3.948 50 40 EHGB CCOc1cccc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)c1O 5874682 OPSGNCLQARQLRI-VXLYETTFSA-N 332.787 3.517 50 40 EHGB CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\C=C\c1ccccc1 16806578 IBHOUFPZEUXZJC-DQBOXZGESA-N 332.403 3.778 50 40 EHGB N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(=O)Nc1ccccc1F 408802798 HOSSLHGEKGIFML-VZUCSPMQSA-N 344.729 3.753 50 40 EHGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC)c2)o1 408814890 GQMRGZJICMBKDL-KAMYIIQDSA-N 339.395 3.680 50 40 EHGB Cn1c(CCl)ns/c1=N\C(=N/c1ccccc1)c1ccccc1 12504973 OMAJUAIZNYQVBQ-DUQSFWPASA-N 342.855 3.900 50 40 EHGB COC(=O)[C@@H](C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97976223 MEWCABWAYWMDNW-GOSISDBHSA-N 349.390 3.542 50 40 EHGB O=C(N/N=C/c1ccc(Br)cc1)c1ccccc1Cl 485115 CSYSFRDVOXMQAG-RQZCQDPDSA-N 337.604 3.866 50 40 EHGB CCOc1ccc(/C(C)=N/NC(=O)COc2ccc(Cl)cc2)cc1 6047910 CWAZFSAMRSHKGY-DEDYPNTBSA-N 346.814 3.658 50 40 EHGB Cc1ccc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)c(C)c1 15952121 KGAKDPHZVCFPJM-UHFFFAOYSA-N 349.390 3.629 50 40 EHGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C2\CC(=O)CC(C)(C)C2)c1 18143504 PCXBRVIUNZBHQQ-RCCKNPSSSA-N 344.455 3.749 50 40 EHGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC#N 208787499 DXRATWZTGIRCIT-RVDMUPIBSA-N 344.374 3.928 50 40 EHGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)ccc1C 408807945 ILWRNECMCCBLIY-MHWRWJLKSA-N 336.391 3.866 50 40 EHGB O=C(N/N=C/c1cccc(OC2CSC2)c1)c1cccc(Cl)c1 408828293 JKWLGWHFLGWOBB-DJKKODMXSA-N 346.839 3.598 50 40 EHGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 409116009 LFOPHAGJZUHHSO-NPRIEWAGSA-N 341.480 3.692 50 40 EHGB O=C(NC(=O)C(Cl)Cl)Nc1ccc2c(c1)-c1ccccc1C2 1722522 UFMSBBUOTUDGRZ-UHFFFAOYSA-N 335.190 3.710 50 40 EHGB N#C/C(=C/c1ccc(N2CCCC2)cc1)C(=O)NCc1ccccc1 4498541 DZQVNWKYHWGDQI-RGEXLXHISA-N 331.419 3.510 50 40 EHGB N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ccc(C(=O)O)cc1 6258397 LEOZEIROXBMOSJ-UKTHLTGXSA-N 326.739 3.584 50 40 EHGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1 48251485 CCYQIGDKWLBVOU-QPEQYQDCSA-N 342.782 3.903 50 40 EHGB CC1(C)Cc2cc(/C=C(\C#N)C(=O)NCc3ccccc3)ccc2O1 408710857 QDLCLMZHMTXPKX-WOJGMQOQSA-N 332.403 3.623 50 40 EHGB COC(=O)[C@H](c1ccccc1)[C@H](Br)C(=O)c1ccccc1 1669457 NHCIONQNUCGXOA-CABCVRRESA-N 347.208 3.590 50 40 EHGB COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 1735906 HQUZEVHAMSZKCG-MDWZMJQESA-N 325.280 3.576 50 40 EHGB COc1ccc(C(=O)NNc2nc3c(Cl)cccc3s2)cc1 4121355 KFPMAWPRGYDKRS-UHFFFAOYSA-N 333.800 3.715 50 40 EHGB N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl 5131057 NPEYDHAPVHERRH-FMIVXFBMSA-N 327.727 3.794 50 40 EHGB C/C(=N\NC(=O)c1csc2ccccc12)c1ccc2c(c1)OCO2 5725396 JYZGETUZSGMFGL-YBFXNURJSA-N 338.388 3.784 50 40 EHGB COc1ccccc1/C=C/C=N/NC(=O)c1ccc2ccccc2n1 20926679 OFCBUXOVPLVICA-XJYRWHQTSA-N 331.375 3.672 50 40 EHGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC 408790220 VFFBXKHUVSFFQQ-SFQUDFHCSA-N 346.386 3.561 50 40 EHGB O=C(N/N=C/c1cc(Cl)ccc1O)c1sc2ccccc2c1O 227576 PEJMVICULMPKCV-QGMBQPNBSA-N 346.795 3.730 50 40 EHGB N#C/C(=C\c1ccc(Br)cc1)C(=O)NC1CCCCC1 1103791 VRNWIWGSVXAPLC-JLHYYAGUSA-N 333.229 3.805 50 40 EHGB CCCOc1ccc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1 5310715 DBURMPQGPOPHBM-XSFVSMFZSA-N 326.396 3.638 50 40 EHGB Cc1c(C(=O)NN(C)c2ccccc2)oc2c1C(=O)CC(C)(C)C2 45007242 LOIGHYSXHWQHMJ-UHFFFAOYSA-N 326.396 3.524 50 40 EHGB CC(C)N1CCC(=NNC(=O)c2cc(Cl)ccc2Cl)CC1 55075777 MRBVFVALJIPWSZ-UHFFFAOYSA-N 328.243 3.583 50 40 EHGB CN(C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 59333550 RRIFOWWLYQWQPA-YRNVUSSQSA-N 345.742 3.503 50 40 EHGB O=C(CCl)/N=c1/sccn1Cc1ccc(Cl)cc1Cl 100404770 OYYOBWASUAPCJB-FOWTUZBSSA-N 335.643 3.571 50 40 EHGB Cn1c(SCCCCl)nnc1-c1cccc(Br)c1 228926135 JLGSZTOHBOYHOH-UHFFFAOYSA-N 346.681 3.966 50 40 EHGB COc1ccc(CCn2c(C)cc(C(=O)CCl)c2C)cc1OC 3408013 GTRXJYISJOBLEB-UHFFFAOYSA-N 335.831 3.786 50 40 EHGB N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 12321009 UZVBXQDHMVRALQ-OXQOHEQNSA-N 342.398 3.895 50 40 EHGB Cc1ccccc1N(Cc1cc(=O)[nH]c2ccccc12)C(=O)CCl 13770029 YCMKUUSZXJGCLL-UHFFFAOYSA-N 340.810 3.609 50 40 EHGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 34911007 AFMMGHPLZMBJJR-UDWIEESQSA-N 341.411 3.917 50 40 EHGB C=CCn1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c2ccccc21 408965765 ILJMWYHBKZSFED-FSJBWODESA-N 346.365 3.602 50 40 EHGB COC(=O)CCc1c[nH]c2ccc(N(CCCl)CCCl)cc12 1752344 UJMUCMMVMLXILD-UHFFFAOYSA-N 343.254 3.558 50 40 EHGB Cc1cc(Cl)ccc1OCCCC(=O)N/N=C1\C[C@H]2C=CC[C@H]12 6796703 MBBDAZBEWAXJNN-BZLVTBTQSA-N 332.831 3.876 50 40 EHGB Cc1cc(C)nc(NNC(=O)c2cccc(Oc3ccccc3)c2)n1 11333896 KXJWABZBWHESRV-UHFFFAOYSA-N 334.379 3.643 50 40 EHGB N#C/C(=C/c1ccc2c(c1)OCCO2)C(=O)c1c[nH]c2cc(F)ccc12 40139945 KYJQNKQTKNWQGU-QPEQYQDCSA-N 348.333 3.868 50 40 EHGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Br)o2)c1 408744411 FMFAMVADBGDMHG-FLIBITNWSA-N 331.169 3.896 50 40 EHGB CC(C)(C)OC(=O)N1CCC(=O)[C@H](O[Si](C)(C)C(C)(C)C)C1 721324810 WOIIDTCHTCGVFO-CYBMUJFWSA-N 329.513 3.587 50 40 EHGB COc1ccccc1N(C(=O)CCCl)[C@H](C#N)c1ccccc1 2027536 VEQLLCVIXHXZFT-MRXNPFEDSA-N 328.799 3.922 50 40 EHGB COCCOC(=O)/C(C#N)=C\c1ccc(N(C)c2ccccc2)cc1 3233821 HIUHTSDIDZCMFQ-VKAVYKQESA-N 336.391 3.551 50 40 EHGB O=C(N/N=C/c1ccccc1Cl)c1ccccc1Br 4735462 ANGPMGSAGXKEOQ-RQZCQDPDSA-N 337.604 3.866 50 40 EHGB Cc1cccc(C(=O)N/N=C\c2ccc(-c3cccc(C(=O)O)c3)o2)c1 408973570 YZAKWYRFXLMVBK-MTJSOVHGSA-N 348.358 3.717 50 40 EHGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1 497659 XDUTVEQONFALLJ-UDWIEESQSA-N 349.346 3.927 50 40 EHGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 5671430 WGNJOADXYCCTNE-XYOKQWHBSA-N 327.727 3.794 50 40 EHGB Nc1ccccc1C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 5740930 PWXOHRIHJXECRE-SRZZPIQSSA-N 339.782 3.946 50 40 EHGB N#C/C(=C\Nc1ccccc1Br)C(=O)Nc1ccccc1 57414020 RHRKYBFFUZUWRH-VAWYXSNFSA-N 342.196 3.907 50 40 EHGB C[C@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1ccccc1Cl 245241906 SZGKDDFPNZWKOH-NSHDSACASA-N 337.206 3.911 50 40 EHGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(C)s3)cc2c1 409187990 WEQUKJIKFDLOPW-ZDLGFXPLSA-N 328.393 3.965 50 40 EHGB N#C/C(=C\c1ccco1)C(=O)Nc1ncc(Cc2ccccc2)s1 63484 DXTRVXSFNWXMBM-GXDHUFHOSA-N 335.388 3.873 50 40 EHGB COc1ccc(/C=C2\C(=O)c3ccccc3C2=C(C#N)C#N)cc1OC 77990 PZNGQHOAEXXOHT-MFOYZWKCSA-N 342.354 3.784 50 40 EHGB ClC[C@H]1CN(c2ccccc2)[C@]2(O1)SCCN2c1ccccc1 974686 ONQZXIGOGHWSKK-ZWKOTPCHSA-N 346.883 3.995 50 40 EHGB O=C(CSCc1ccccc1)NNc1c(F)c(F)cc(F)c1F 2650783 VQVHAOKELGEGIS-UHFFFAOYSA-N 344.333 3.620 50 40 EHGB O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc(Cl)s1 8734039 UMQKEAHVHRGPQT-UHFFFAOYSA-N 344.823 3.558 50 40 EHGB CCn1c(C)nc2cc(C(=O)N/N=C3/CCCc4ccccc43)ccc21 38198490 ZZYDJQBTWKSEPP-NKFKGCMQSA-N 346.434 3.835 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)c2ccccc12 59534005 JKNODYQKOXHBMD-RVDMUPIBSA-N 332.359 3.665 50 40 EHGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccccc1[N+](=O)[O-] 100194976 VSUHUDRIOYSDLG-QPEQYQDCSA-N 343.346 3.603 50 40 EHGB N#CSCC(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 216858182 MNFNBSVBJKYJFX-UHFFFAOYSA-N 344.783 3.696 50 40 EHGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1Cl 54716 FUYQDQUAZLLTHE-UHFFFAOYSA-N 343.597 3.722 50 40 EHGB Cc1cc(OCC(=O)N/N=C/[C@@H](C)c2ccccc2)ccc1Cl 8183384 AXAWUAFAGSGSRL-XLTHYULKSA-N 330.815 3.933 50 40 EHGB O=C(N/N=C/c1ccc(N2CCCC2)o1)c1cccc2ccccc12 59138299 LUTIUIUVGGDJDD-KGENOOAVSA-N 333.391 3.797 50 40 EHGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)NCc1ccco1 408817939 MLOFMILQZQUXDG-MDWZMJQESA-N 330.771 3.555 50 40 EHGB CCCCOc1ccc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1 408886839 JEKRXJAUWQULDJ-KGENOOAVSA-N 340.423 3.946 50 40 EHGB C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1cccs1 5638651 COXCBVNWHNPICR-MHWRWJLKSA-N 337.242 3.594 50 40 EHGB CCOC(=O)[C@@H](C#N)C1=C(C(SC)=C(C#N)C#N)CCCCC1 5717227 AVGZNBOBYYDKGM-HNNXBMFYSA-N 329.425 3.614 50 40 EHGB CC(C)C/C(=N\NC(=O)c1ccncc1)c1cc(Cl)ccc1O 16970877 RKYOOFYXWKNEDT-HMMYKYKNSA-N 331.803 3.621 50 40 EHGB CCOc1ccc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)cc1 38654519 MVIBXRNYGZXPDU-UHFFFAOYSA-N 344.367 3.515 50 40 EHGB NNC(=O)c1ccc2nc(-c3cc(Cl)ccc3Cl)sc2c1 73635302 FHVKCQRDFWVJKK-UHFFFAOYSA-N 338.219 3.874 50 40 EHGB N#C/C(=C/c1ccc2c(c1)OCCO2)c1ccc(C(F)(F)F)cn1 96993462 PHQAGGYPHWSXIE-GHXNOFRVSA-N 332.281 3.936 50 40 EHGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc([N+](=O)[O-])c2)cc1 104195629 BGEPRZIWUYKVPZ-UVTDQMKNSA-N 337.335 3.539 50 40 EHGB CSc1ccc(/C=N/NC(=O)c2ccc(Br)o2)cc1 70319 PDAZIOMQZXCYEK-OVCLIPMQSA-N 339.214 3.528 50 40 EHGB Cc1ccc(NCC(=O)N/N=C/c2cccc(Cl)c2Cl)cc1 439118 GZNVRAXQZJYOQJ-AWQFTUOYSA-N 336.222 3.864 50 40 EHGB CO[P@@](=O)(CCl)OCCCCO[P@](=O)(CCl)OC 1581007 MEOUAEMQHKPNLB-ROUUACIJSA-N 343.080 3.871 50 40 EHGB CSc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1 5515316 ZVZDNDKERHYDIE-LICLKQGHSA-N 349.253 3.935 50 40 EHGB N#CC(C#N)=C(CBr)c1ccc(Br)cc1 5894063 HZRQZDCJEXYYBU-UHFFFAOYSA-N 325.991 3.645 50 40 EHGB C[C@@H](C(=O)Nc1ccc(SC#N)cc1[N+](=O)[O-])c1ccccc1 95471097 WABRXMXYJQZMJT-LLVKDONJSA-N 327.365 3.910 50 40 EHGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(F)cc2)c1 354516 ATQKJIYKZFGRNG-SRZZPIQSSA-N 328.387 3.787 50 40 EHGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cccc(Cl)c1 546882 PSWNMHCZOOVETO-GIJQJNRQSA-N 345.811 3.724 50 40 EHGB CCOC(=O)c1ccccc1P(c1ccccc1)c1ccccc1 101469841 FRVBNDJKPAYVRP-UHFFFAOYSA-N 334.355 3.622 50 40 EHGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl 408794407 IFFLHDWRYGCLFJ-UKTHLTGXSA-N 342.782 3.990 50 40 EHGB C[C@H](NC(=O)/C(C#N)=C/c1cc(Cl)ccc1O)c1ccccc1 408800829 PQRZSIMFTJQOAA-DGGAMASNSA-N 326.783 3.830 50 40 EHGB Cc1cc(NC(=O)N/N=C\c2ccc(O)cc2)ccc1Br 408904115 DZWITLFQWCGVAF-MFOYZWKCSA-N 348.200 3.619 50 40 EHGB CO[C@H]1CN(C(=O)/C(C#N)=C/C(C)C)CC[C@@H]1Cc1ccc(C)cc1 585290564 YEUCSJYEHJFJJL-BIBGJXTNSA-N 340.467 3.507 50 40 EHGB COc1ccccc1NC(=O)/C(C#N)=C/c1cn(C)c2ccccc12 141714 CJEARCWBDTZGRU-SDNWHVSQSA-N 331.375 3.733 50 40 EHGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccccc2)o1 512024 GAUXYBBJJZHONH-UDWIEESQSA-N 349.346 3.927 50 40 EHGB O=C(N/N=C1/C(O)=Nc2ccc(Cl)cc21)c1c[nH]c2ccccc12 7982997 JPRLMYBWYVXHFE-UHFFFAOYSA-N 338.754 3.557 50 40 EHGB BrC(Br)C1[C@@H]2CCC[C@H]1C2Br 97951636 DSNGPYDYZPFEEQ-DPTVFECHSA-N 346.888 3.912 50 40 EHGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCC#N 408744584 YQXFQHMQJOJIGU-VBKFSLOCSA-N 347.374 3.533 50 40 EHGB CCCOc1ccccc1/C=N/NC(=O)COc1ccccc1Cl 408916087 URCZGDSEUCNHKF-UDWIEESQSA-N 346.814 3.658 50 40 EHGB N#C/C(=C\c1ccccc1O)C(=O)Nc1cccc(C(F)(F)F)c1 567953 UITYZQYAXQFAFO-XYOKQWHBSA-N 332.281 3.957 50 40 EHGB COC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccccc1 6179349 FKYUQGVWPIRDCZ-VBKFSLOCSA-N 329.359 3.619 50 40 EHGB N#C/C(=C/c1ccc(Br)s1)C(=O)NCc1ccccc1 16157356 HNXBVSGTYSXLOD-WQLSENKSSA-N 347.237 3.734 50 40 EHGB O=C(NNC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1 26507202 XMAPCCDGKRJAJY-UHFFFAOYSA-N 339.182 3.852 50 40 EHGB C[C@@H]1CN(C(=O)/C(C#N)=C\c2c(Cl)cccc2Cl)C[C@@H](C)O1 40152409 ZRHOMLQOBJXPDV-OYHMZJHOSA-N 339.222 3.536 50 40 EHGB O=C(N/N=C\c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1Cl 83312112 MEJPTJCDLQJXRA-UUASQNMZSA-N 344.179 3.727 50 40 EHGB CC(C)c1cc(/C=N/NC(=O)c2ccccn2)cc(C(C)C)c1O 408854558 IGURUIIAAVMIBL-SRZZPIQSSA-N 325.412 3.798 50 40 EHGB Cc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c1 409259560 ASJRYAIRNPFLSE-CIAFOILYSA-N 348.358 3.717 50 40 EHGB CCC(=O)Nc1ccc(C(=O)N/N=C2\CCCc3ccccc32)cc1 358111 SWWDJBUVPVHNSG-RELWKKBWSA-N 335.407 3.506 50 40 EHGB CCOc1cc(/C=N/NC(=O)Nc2ccc(Cl)cc2)ccc1O 367959 CYNOUVRWOYIFJM-VCHYOVAHSA-N 333.775 3.600 50 40 EHGB Cc1ccc(C(=O)NNC(=O)/C=C/c2cccc3ccccc23)cc1 587272 CKHCVYUHRADTRU-BUHFOSPRSA-N 330.387 3.623 50 40 EHGB CCc1cccc2c(C=C(C#N)C#N)cn(CC(=O)N3CCCCC3)c12 798078 ZXTNHQIQZMJFKM-UHFFFAOYSA-N 346.434 3.647 50 40 EHGB CCOc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1 3184287 NTGSCAFMEIHHNA-WOJGMQOQSA-N 347.212 3.612 50 40 EHGB N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)NCc1cccnc1 5338157 ZSWRMEYFUKKKJJ-AWNIVKPZSA-N 332.190 3.612 50 40 EHGB O=C(N/N=C\c1ccc(N2CCCC2)cc1)c1cc2ccccc2o1 408947681 QSWDHXSYVZJYPO-STZFKDTASA-N 333.391 3.797 50 40 EHGB Cc1ccc(CC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1C 409180536 WOFIKLHLHRHIJA-LPYMAVHISA-N 332.403 3.855 50 40 EHGB C/C(=N/NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1cccs1 229752 AUBWDQWJMZTTCB-ZDLGFXPLSA-N 344.827 3.946 50 40 EHGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(C)c2O)cc1 1319662 YRVMHXVATCQLEZ-OMBDHMDGSA-N 340.423 3.743 50 40 EHGB C/C(=N\NC(=O)CCC(=O)Nc1cccc(Cl)c1C)c1ccco1 4394090 DEIAQVNJTCIVBH-UDWIEESQSA-N 347.802 3.501 50 40 EHGB CCO[C@]1(c2ccccc2)C[C@@H]1C(=O)N/N=C/[C@@H](C)c1ccccc1 4844421 UIBFZWQDCJLLTE-TXCQNSHASA-N 336.435 3.844 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl 408794279 HYEFXMLRUZNNPR-XYOKQWHBSA-N 328.755 3.600 50 40 EHGB COc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 242720 LSDVQEYEDQRERF-AYPRBGQRSA-N 346.814 3.575 50 40 EHGB N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1ccc(F)cc1)Sc1ccccc12 275208 DIFAFERPPRKVEI-QGZVFWFLSA-N 346.390 3.964 50 40 EHGB O=C(N/N=C(\c1ccccc1)c1ccncc1)[C@H]1C[C@H]1c1ccccc1 5488373 ZBQFQKWHCDKTIV-JWVLWVHESA-N 341.414 3.754 50 40 EHGB Cc1cccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)CCl)c1 13759662 OHJAABPTLPKFBQ-UHFFFAOYSA-N 340.810 3.609 50 40 EHGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1cccc2cc[nH]c12 83328860 UEDMXNWLRPBWOM-WSDLNYQXSA-N 329.359 3.791 50 40 EHGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1 408746886 XJAMTCQJBWLWJI-LGMDPLHJSA-N 346.386 3.643 50 40 EHGB CCOC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(C#N)cc1 408922340 DDSLVQYZSDQWMB-WOJGMQOQSA-N 332.359 3.607 50 40 EHGB Cc1ccccc1C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 296365 OLJWGVZDJNBBTI-UHFFFAOYSA-N 344.414 3.588 50 40 EHGB C[C@@H](Cl)CN(C[C@@H](C)Cl)C(=O)Oc1ccc([N+](=O)[O-])cc1 1763337 XYXLCCMWUNABBI-NXEZZACHSA-N 335.187 3.650 50 40 EHGB COc1cccc(N/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 7572385 GKTLKVILFNVORR-LFIBNONCSA-N 348.811 3.599 50 40 EHGB CC[C@H]1CCc2sc(C(=O)N/N=C/c3csc(C)n3)cc2C1 8525835 YHBUMURMWYPUQS-CPWFCVNUSA-N 333.482 3.792 50 40 EHGB C#CCOc1ccc(/C=C(/C#N)c2nnc(-c3ccccc3)n2C)cc1 58265713 OOZUBYWSCARHEN-JXAWBTAJSA-N 340.386 3.558 50 40 EHGB Cc1ccc(/C=N/NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 59515248 DQXXKFURCYYSNO-FYJGNVAPSA-N 337.423 3.744 50 40 EHGB Cc1cc2c(cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1)OCO2 408985564 MZAJPSFIAUPXKV-AWNIVKPZSA-N 340.766 3.923 50 40 EHGB CCOC(=O)c1cc(C(F)(F)F)c(CBr)cc1C#N 575342560 PPGGNJNYESGQLD-UHFFFAOYSA-N 336.107 3.649 50 40 EHGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1O 3547036 VTXVVBRVPDOFLA-IZZDOVSWSA-N 346.745 3.739 50 40 EHGB CCCCc1ccc(NC(=S)NNC(=O)c2cccs2)cc1 3766217 QHJOJGFXICGMPP-UHFFFAOYSA-N 333.482 3.722 50 40 EHGB Cc1noc2c1[C@H](c1ccccc1)C(C#N)=C(N)[C@H]2c1cccc(O)c1 4639681 WHPMEJQKVSKNFA-RTBURBONSA-N 343.386 3.702 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1OC 4815553 DNCVITRPJJBRDS-RGVLZGJSSA-N 346.814 3.820 50 40 EHGB Cc1cc(C)cc(O[C@@H](C)C(=O)NN=Cc2ccc(Cl)cc2)c1 9082781 OIRLXQYPHSURRP-AWEZNQCLSA-N 330.815 3.874 50 40 EHGB COc1ccc(/C(C)=N/NC(=O)c2ccccc2Br)cc1 4526383 JMOUTCFNTLNEPT-WOJGMQOQSA-N 347.212 3.612 50 40 EHGB CCOc1ccc(/C=N/NC(=O)CSc2ccc(C)cc2)cc1 8515602 OPCWDYYCTUHOMA-XDHOZWIPSA-N 328.437 3.636 50 40 EHGB COc1ccc(NC(=O)NN(c2ccccc2)c2ccccc2)cn1 48019162 HAZUVUDZZZDJLW-UHFFFAOYSA-N 334.379 3.965 50 40 EHGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NCc1ccccc1)[C@H]2Br 102780743 ZPRZTROVUOVYNM-JQFCIGGWSA-N 336.273 3.893 50 40 EHGB NNC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 226332520 XLTQSRXLMQLSRX-FPYGCLRLSA-N 337.206 3.576 50 40 EHGB O=C(NN=C(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCO2 219272 WZSSTSRRAJMBIN-UHFFFAOYSA-N 344.370 3.598 50 40 EHGB C=CCn1c(C)c(/C=N/NC(=O)c2cccc(OC)c2)c2ccccc21 561483 CBWXQXLUMIRVKG-HYARGMPZSA-N 347.418 3.908 50 40 EHGB CNc1ccccc1C(=O)NN=C1c2ccccc2-c2ccccc21 1574642 ODIXJNXPRNHIMS-UHFFFAOYSA-N 327.387 3.891 50 40 EHGB CC1(C)[C@H](CBr)CC[C@@]1(C)C(=O)NNc1ccccc1 3845904 CXYGIFJYNOBCOE-LRDDRELGSA-N 339.277 3.967 50 40 EHGB biogenic CC(C)=C[C@@H]1[C@H](C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)C1(C)C 24714004 LJACUKPTNBTUQE-VTZXFWRVSA-N 344.499 3.589 50 40 EHGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 59133283 AWLBWKADBHPOOC-YRNVUSSQSA-N 345.717 3.933 50 40 EHGB C=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)CNc2ccc(OC)cc2)C1 96501766 BXQBYUSXWKCGDR-BAOKRACBSA-N 327.428 3.512 50 40 EHGB C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)CNc2ccc(OC)cc2)C1 96501768 BXQBYUSXWKCGDR-XAIYEJPOSA-N 327.428 3.512 50 40 EHGB Cc1cc(/C=C(\C#N)C(=O)O)c(C)n1-c1ccc(Br)cc1 3887122 QDQMGHVOSSWKGS-MDWZMJQESA-N 345.196 3.848 50 40 EHGB Cc1ccc(/C=C\C(=N\NC(=O)c2ccccc2)[C@@H](C)CN(C)C)cc1 5759136 UKCRSDLYVLZMKP-WNMNIRTISA-N 349.478 3.992 50 40 EHGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 408869615 STIRPDWVARSNPI-OQMPAEFTSA-N 335.791 3.525 50 40 EHGB ClCCCCc1nnnn1[C@H]1CC[C@H](OCc2ccccc2)CC1 604970589 OMZLTMKDYUJXTQ-QAQDUYKDSA-N 348.878 3.935 50 40 EHGB CCOc1ccccc1[C@@H]1[C@@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 135390 MRKJHEIPOFKYRM-BEFAXECRSA-N 344.418 3.679 50 40 EHGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1O 1095235 UODYATDDBINYIW-NTUHNPAUSA-N 342.782 3.908 50 40 EHGB CC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1cccc(C(F)(F)F)c1 4730717 BZIVRSWKZBKFAV-AWEZNQCLSA-N 338.354 3.920 50 40 EHGB Cc1sccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 5818115 LFSCVZLOPHQBIR-CQSZACIVSA-N 334.404 3.665 50 40 EHGB N#CC1=C(SCC(=O)c2ccccc2)NC(=O)C[C@H]1c1ccccc1 40486348 KFYYIXGINRBYRH-INIZCTEOSA-N 348.427 3.641 50 40 EHGB CCOc1ccc(/C=N/NC(=O)Cc2cccs2)c2ccccc12 409195825 QWOQJULCUYQXFA-DEDYPNTBSA-N 338.432 3.993 50 40 EHGB CC12CC3(C)CC([C@H](Cl)C(=O)O)(C1)CC([C@@H](Cl)C(=O)O)(C2)C3 5412124 USTSJYGYDXSYRI-YUQXTFBQSA-N 349.254 3.737 50 40 EHGB O=C(NNC1=C(C(=O)C(F)(F)F)CCCC1)c1cccc(Cl)c1 5671118 NYDUKHMXSDMIQD-UHFFFAOYSA-N 346.736 3.534 50 40 EHGB CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccs1 26967717 RHVNYRQLZXNSRE-SDNWHVSQSA-N 348.431 3.644 50 40 EHGB C/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 27232285 ABRMBMKNBMUPDD-ODLFYWEKSA-N 337.206 3.913 50 40 EHGB C/C(=N\NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(F)cc1 58915911 SBGPOHQOWCXAOY-GNUZOCDUSA-N 330.428 3.988 50 40 EHGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NC(C)C)cc1OCC 408786200 GVPOEIOTGNNGMY-ZSOIEALJSA-N 348.830 3.735 50 40 EHGB CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@@](CO)(OO)C3 2332242402 OIWDBCFCWVUPFM-ITDKPELASA-N 336.472 3.819 50 40 EHGB CCOC(=O)/C(C#N)=C/c1ccc(Oc2nc(Cl)ncc2F)cc1 2312014 VQEZVKSEOOPSEB-YRNVUSSQSA-N 347.733 3.531 50 40 EHGB C/C(=N/NC(=O)c1ccc2c(c1)OCO2)C12CC3CC(CC(C3)C1)C2 4156395 JEVUVBCAXSHKTF-MTJSOVHGSA-N 340.423 3.737 50 40 EHGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(C)cc2O)cc1 4815583 AEBNZXAYXSZFLU-RANIVTSPSA-N 340.423 3.743 50 40 EHGB CCOC(=O)c1c(-c2cccs2)csc1NC=C(C#N)C#N 6847855 XZNCYUPZUISUDF-UHFFFAOYSA-N 329.406 3.996 50 40 EHGB C/C(=N\NC(=O)CCc1ccccc1)c1cccc(Br)c1 13964437 ZFUIWPMOVRTDMS-CPNJWEJPSA-N 345.240 3.922 50 40 EHGB CCOC(=O)/C(C#N)=C\c1cccc(OCCOc2ccccc2)c1 15011829 HTOJEMIUEDWVBP-LGMDPLHJSA-N 337.375 3.614 50 40 EHGB COc1ccc2c(c1O)-c1cccc3c1[C@H](C2)N(CCCl)CC3 25971615 MIIXMAVYCIYXOG-HNNXBMFYSA-N 329.827 3.762 50 40 EHGB O=C1OC(=O)[C@@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]12 100186516 GFTXOYOWCPVIJK-XNFNUYLZSA-N 328.367 3.620 50 40 EHGB O=C(CCl)N(Cc1ccncc1)c1cccc2ccc(O)cc12 199754949 ILMHYDVKMPJWAY-UHFFFAOYSA-N 326.783 3.712 50 40 EHGB C#CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c1 408940863 VJVAEKMMKPUVEZ-PDGQHHTCSA-N 330.387 3.861 50 40 EHGB CN1C(N)=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)C2=C1CCCC2=O 409136131 SNHZUFPVWCGNKQ-OAHLLOKOSA-N 348.233 3.723 50 40 EHGB Nc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 573269 JGUQKUIMVOBHDW-OEAKJJBVSA-N 345.402 3.612 50 40 EHGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 260381 SZJOUMLVFMYUNC-CAOOACKPSA-N 338.150 3.666 50 40 EHGB C#CCn1cc(/C=N/NC(=O)c2cc3ccccc3o2)c2ccccc21 510283 JZQIDSLXLXCION-LPYMAVHISA-N 341.370 3.785 50 40 EHGB Cc1cc(OCC(=O)N/N=C/c2ccco2)c(C(C)C)cc1Cl 5447490 ATNPKIHFCCRMQN-DJKKODMXSA-N 334.803 3.894 50 40 EHGB Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(C)c1O 6825863 HXSFUKWROGFEBK-GIJQJNRQSA-N 347.212 3.535 50 40 EHGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)cc1 59333873 DIDLZMUZLPETRY-WJDWOHSUSA-N 340.810 3.914 50 40 EHGB CC(C)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1 108047594 MAQOQBFHILFNHH-WJDWOHSUSA-N 336.391 3.973 50 40 EHGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccco2)o1 408723215 REDUFIUDAVKGHV-VCHYOVAHSA-N 339.307 3.520 50 40 EHGB COc1ccc(/C=N/NC(=O)c2cc(C3CC3)nc3ccccc23)cc1 174553 KFYHFZLSNJALPQ-LPYMAVHISA-N 345.402 3.885 50 40 EHGB Cc1cc(Cl)ccc1OCCCC(=O)N/N=C1\C[C@@H]2C=CC[C@@H]12 17068478 MBBDAZBEWAXJNN-UPQQWNPYSA-N 332.831 3.876 50 40 EHGB C#CCn1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c2ccccc21 408812070 NMPOLDOCXSABLE-QINSGFPZSA-N 343.361 3.959 50 40 EHGB C#CCOc1cccc(/C=N/NC(=O)Cc2cccc3ccccc23)c1 6295431 QBKBKPDBEUFTPU-XQNSMLJCSA-N 342.398 3.545 50 40 EHGB C=CCOc1ccc(/C(C)=N/NC(=O)[C@@]2(C)CC2(Cl)Cl)cc1 17071341 JROBTOAHFJEHFZ-SKCQWOFPSA-N 341.238 3.676 50 40 EHGB C/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1ccccc1O 18044973 JODIHDBUJFHAGA-RCCKNPSSSA-N 340.423 3.743 50 40 EHGB C=CCN/C(SC)=C(\C#N)c1nc(-c2ccc(Cl)cc2)no1 101953973 WKHSKKZKJDMBGI-QINSGFPZSA-N 332.816 3.721 50 40 EHGB Cc1cccc(C(=O)N/N=C/c2coc3ccc(Cl)cc3c2=O)c1 2755305 QCFOIHIFMUIQIZ-AWQFTUOYSA-N 340.766 3.519 50 40 EHGB CCCC(=O)NNc1nc(-c2ccc(NC(=O)CCC)cc2)cs1 8306399 DZRFVMBTYICQLR-UHFFFAOYSA-N 346.456 3.792 50 40 EHGB Cc1cccc(C(=O)N/N=C/c2c[nH]nc2-c2ccc(Cl)cc2)c1 8558858 LOAZCTUDMZEJGW-SRZZPIQSSA-N 338.798 3.802 50 40 EHGB C/C(=N/NC(=O)c1cc(-c2ccc(Cl)s2)[nH]n1)c1ccco1 13618350 GIDBADRWWVRIIL-PXNMLYILSA-N 334.788 3.539 50 40 EHGB N#CSCC(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 216855962 ABEZOCJAXMXPLX-UHFFFAOYSA-N 327.340 3.787 50 40 EHGB CCCC[C@@H](C(=O)NN)N1c2cc(C)c(C)cc2[C@H](C)CC1(C)C 260621871 PJYISFIADJDPHZ-WBVHZDCISA-N 331.504 3.944 50 40 EHGB N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 409138165 YMQMRDLRWGAVKN-WJDWOHSUSA-N 326.346 3.866 50 40 EHGB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2cccs2)C(C#N)=C(S)N1 495437 BLGSLHFFXHEZOR-CYBMUJFWSA-N 334.466 3.716 50 40 EHGB CC(C)(C)OC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 3574792 GPEWBBYWTNELJG-LICLKQGHSA-N 331.328 3.713 50 40 EHGB O=C(N/N=C/c1ccc(Br)cc1)C1[C@@H]2CCC=CCC[C@@H]12 3897798 YRDYROPTOFWUKW-OCQBMUCISA-N 347.256 3.892 50 40 EHGB N#CC1=C(S)N(c2ccc(Cl)cc2)[C@@H](c2cccs2)NC1=O 4514004 RUHVAQQLGIFAKQ-ZDUSSCGKSA-N 347.852 3.701 50 40 EHGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc(Br)o1)c1ccccc1 4544469 HOZBTLUHOANXBF-VSXLWIIGSA-N 345.196 3.826 50 40 EHGB Cc1cc(C(=O)N/N=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)[nH]n1 8026435 JMVTUAOIEOYZCH-UFWORHAWSA-N 346.749 3.535 50 40 EHGB Cc1cc(/C=N/NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccccc1 8158782 IEWYTJBHAICTEU-OEAKJJBVSA-N 349.409 3.926 50 40 EHGB O=C(CCl)Nc1nc2c(Cl)cc(Br)cc2s1 20131775 OCQHFNPSYCWGKY-UHFFFAOYSA-N 340.029 3.890 50 40 EHGB NNC(=O)c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 226322103 SXIPAKHTSLJZEV-UHFFFAOYSA-N 345.613 3.829 50 40 EHGB O=C(c1ccc(F)cc1Cl)[C@H](Br)CBr 306491052 VPNSHULRWBIHBD-SSDOTTSWSA-N 344.405 3.820 50 40 EHGB CCN(CC)c1ccc(/C=N/NC(=O)CSCc2ccccc2)o1 408999703 XKLUNBVGNBWQTE-XDHOZWIPSA-N 345.468 3.509 50 40 EHGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(F)cc1 7894211 FLACJQVGKSGBOY-OEAKJJBVSA-N 346.361 3.755 50 40 EHGB Cc1ccc(C(=O)NNC(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 29327480 VGUUHIVOMFBPSH-SFHVURJKSA-N 339.439 3.726 50 40 EHGB CCCCCCOc1ccccc1/C=N/NC(=O)c1cccnc1 33349725 HDUZXPKLUDZXET-RCCKNPSSSA-N 325.412 3.805 50 40 EHGB C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1ccccc1F 31137 SEIOYUYDQQEUHI-KOUDTOEKSA-N 335.382 3.930 50 40 EHGB COc1ccc2c(c1C)CCC/C2=N/NC(=O)c1cccc(F)c1 100309032 UUVGFJQSUBRZAN-FXBPSFAMSA-N 326.371 3.613 50 40 EHGB O=C(CCc1c[nH]c2ccccc12)N/N=C/c1ccc(Cl)cc1 3149512 ZNUPUKDFAMSJJV-SRZZPIQSSA-N 325.799 3.904 50 40 EHGB CCCCOc1ccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)cc1 6651052 DXNCYVIKGISWLR-QTCOBDOFSA-N 335.407 3.623 50 40 EHGB Cc1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1[N+](=O)[O-] 106110387 AGHPXXSOIHLBEL-RGVLZGJSSA-N 349.346 3.526 50 40 EHGB O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1ccc(O)cc1 408993981 DZXXBIYBPWGCCY-XDHOZWIPSA-N 338.388 3.900 50 40 EHGB O=C(CSc1cccc2cccnc12)N/N=C/[C@H]1CC=CCC1 77056 ZYRCUHKSOIAGLI-PVGUKEHMSA-N 325.437 3.785 50 40 EHGB O=P(C(=S)NCc1ccco1)(c1ccccc1)c1ccccc1 159182 CFKUHVICFCTHIV-UHFFFAOYSA-N 341.372 3.668 50 40 EHGB C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)o1 2284280 MWWRPKZSVLGNLZ-COTYYPEISA-N 336.347 3.647 50 40 EHGB O=C(N/N=C/c1ccccc1Br)c1c[nH]c2ccccc12 3210692 CICJELHBJRWKPX-DJKKODMXSA-N 342.196 3.694 50 40 EHGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccccc2F)cc1 3234634 CUTJOPJRELZJOZ-CIAFOILYSA-N 328.387 3.652 50 40 EHGB C/C(=N/NC(=O)Cc1ccccc1)c1ccc(Br)cc1 33299744 VGDRYCPWILJJCH-PDGQHHTCSA-N 331.213 3.532 50 40 EHGB N#C/C(=C/c1ccc(N2CCCC2)o1)C(=O)Nc1ccc(F)cc1 33305202 JXBNQHCLGYKEOZ-QBFSEMIESA-N 325.343 3.565 50 40 EHGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)cc1 59503426 MOQGOHQOASVCOJ-RGVLZGJSSA-N 343.814 3.552 50 40 EHGB Cc1ccc(COc2ccc(/C=C(\C#N)C(N)=O)cc2Cl)cc1C 408866200 GKXOLNNGKWNSTB-LZYBPNLTSA-N 340.810 3.928 50 40 EHGB CCc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccccc3)[nH]n2)cc1 4995224 KXTXMCHHBAHUDS-STZFKDTASA-N 332.407 3.793 50 40 EHGB C/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1ccc2ccccc2c1O 6021547 UGOBISDFPSSAJT-HYARGMPZSA-N 347.418 3.765 50 40 EHGB CC(=O)N/N=C/c1cccc(OCCCOc2cc(C)cc(C)c2)c1 6825770 VQXHAUTWZVJFGW-KGENOOAVSA-N 340.423 3.621 50 40 EHGB N#C/C(=C\c1cc(Br)cs1)C(=O)NCc1ccccc1 13141401 SRJISJZRTZBRAC-WUXMJOGZSA-N 347.237 3.734 50 40 EHGB O=C(CCl)N(Cc1ccccn1)c1cccc2c(O)cccc12 199754780 SVIUGMDCZYFJRN-UHFFFAOYSA-N 326.783 3.712 50 40 EHGB C=CCOc1cccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c1 408589937 NMYIVWBCNYLPNH-DEDYPNTBSA-N 328.799 3.598 50 40 EHGB CCOc1ccc(/C(C)=N/NC(=O)CNc2ccc(Cl)cc2)cc1 409362829 KGXVFERTHWZGOI-FYJGNVAPSA-N 345.830 3.691 50 40 EHGB Br[C@H]1CCCCCC[C@@H](Br)C12OCCO2 40483 CPWLQKKKZJUKKB-AOOOYVTPSA-N 342.071 3.611 50 40 EHGB Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C#N)c(C)c1 2398966 MOSRHVJIPBZTIU-UHFFFAOYSA-N 342.358 3.534 50 40 EHGB CO[C@@H](C(=O)N/N=C/c1ccccc1C(F)(F)F)c1ccccc1 5356555 IVSUDRFBGHKJIJ-UGVMZYNRSA-N 336.313 3.543 50 40 EHGB CC/C(=N\NC(=O)c1ccncc1)c1ccc2cc(OC)ccc2c1 7892564 WJAXKIVTANASNH-ZBJSNUHESA-N 333.391 3.788 50 40 EHGB C=CCOc1ccc(/C=N/NC(=O)c2ccccc2C)cc1OCC 13586194 BRVLTIMUJLKJTO-KGENOOAVSA-N 338.407 3.722 50 40 EHGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2O)cc1 20197804 LRLVJARZOWABKM-YBFXNURJSA-N 332.787 3.598 50 40 EHGB CC(C)N1CCC(=NNC(=O)C(c2ccccc2)c2ccccc2)CC1 55008983 HGEHUVVUYWEGBV-UHFFFAOYSA-N 349.478 3.795 50 40 EHGB CC(C)(C)c1ncc(C(=O)NNc2ccc(F)c(F)c2F)s1 58314244 FVJGGIYCOHDJKJ-UHFFFAOYSA-N 329.347 3.615 50 40 EHGB COc1ccc(/C(C)=N/NC(=O)CSCc2ccc(C)cc2)cc1 59473397 OTVDSQRCQWZJLT-HMMYKYKNSA-N 342.464 3.777 50 40 EHGB O=C(N/N=C\C=C\c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 4775433 JRBCEJKUQONKSG-QXEVTIDZSA-N 329.743 3.677 50 40 EHGB N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccccn1 6644628 YHOKAXNKKIFNHY-GHXNOFRVSA-N 332.190 3.612 50 40 EHGB CCOc1ccc(Cl)cc1/C=N\NC(=O)Cc1ccc(C)cc1 409358960 HZKDUECXNHXITA-NDENLUEZSA-N 330.815 3.740 50 40 EHGB COc1ccccc1NC(=O)NNc1ccc(OC(F)(F)F)cc1 12902102 KDURAXUAUQANSO-UHFFFAOYSA-N 341.289 3.742 50 40 EHGB COc1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1Cl 35145400 GRPCVYYAXVOIPO-DHDCSXOGSA-N 347.823 3.995 50 40 EHGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)O)cc1 71793186 TZAFGBQJVOLJIF-WJDWOHSUSA-N 329.359 3.839 50 40 EHGB in-vitro O=C(N/N=C\c1ccccc1)c1cc2cc(Br)ccc2o1 83252629 KABRYMJXSZIVKI-ZDLGFXPLSA-N 343.180 3.959 50 40 EHGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccco1 409149026 WAVYJRARZCZACM-REZTVBANSA-N 343.235 3.970 50 40 EHGB CC(C)n1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c2ccccc21 564307 NVAATMUVGOAGOZ-FOKLQQMPSA-N 348.381 3.997 50 40 EHGB CN(C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2)cc1 206240425 BDBNNRQOCKQOKQ-KAMYIIQDSA-N 325.799 3.952 50 40 EHGB N#CSCC(=O)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 216855865 DKXAHOUPTASFOM-UHFFFAOYSA-N 327.340 3.787 50 40 EHGB C[C@@H](Cl)C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 4079130 CVFYPMXXIVSLOL-HALIQOIHSA-N 325.865 3.572 50 40 EHGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCc1ccccc1)[C@@H]2Br 4387202 ZPRZTROVUOVYNM-XYPHTWIQSA-N 336.273 3.893 50 40 EHGB Cc1ccc(SC[C@H](Cl)CSc2nc(C)cc(=O)[nH]2)cc1 36724545 OXFSUSDJHSOJGB-LBPRGKRZSA-N 340.901 3.879 50 40 EHGB CC(C)Cc1nc(NC(=O)CCCC[C@@H]2CCSS2)n[nH]1 79501438 LZVPPJABMLYFFC-LLVKDONJSA-N 328.507 3.656 50 40 EHGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Br)o2)c1 252484023 FMFAMVADBGDMHG-DHZHZOJOSA-N 331.169 3.896 50 40 EHGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccccc1C(=O)O 408925602 SGOSVKBUUJQEFQ-UKTHLTGXSA-N 340.766 3.892 50 40 EHGB COc1ccc(Cl)cc1NC(C#N)=C1C(=O)c2ccccc2C1=O 102344 RQTUXFPGOLVLAA-UHFFFAOYSA-N 338.750 3.617 50 40 EHGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCO2 3570757 BIULEWQOKVEAQH-UKTHLTGXSA-N 340.766 3.657 50 40 EHGB O=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccccn1 5019983 FEJDETLRUNTAMK-UHFFFAOYSA-N 329.403 3.653 50 40 EHGB C/C(=N\NC(=O)COc1ccccc1-c1ccccc1)c1cccnc1 5164317 GLXGADWMDJXCIJ-XQNSMLJCSA-N 345.402 3.668 50 40 EHGB CCOc1ccccc1OCC(=O)N/N=C/C(C)=C/c1ccccc1 5467256 QJKAIJVBKDVDIJ-PDHZICCSSA-N 338.407 3.670 50 40 EHGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 5771328 KFSDYBIRDFHTQL-CAOOACKPSA-N 338.150 3.666 50 40 EHGB COc1ccc(/C=N\NC(=O)C23[C@@H]4CCC[C@@H]2C43c2ccccc2)cc1 101027951 KPWKKTIPZJAQLH-LQVDPFNESA-N 346.430 3.513 50 40 EHGB CSc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1 408541533 GPAQZQSIQDNXCY-ZROIWOOFSA-N 338.388 3.652 50 40 EHGB C/C(CC(=O)Nc1cccc(C)c1C)=N\NC(=O)C1CCCCC1 4690948 KATULXFAROBLLD-KGENOOAVSA-N 329.444 3.704 50 40 EHGB CCCc1cc(C(=O)N/N=C(\CC)c2ccc(O)cc2O)cs1 17068359 VYTGMCMSGYBWQN-OBGWFSINSA-N 332.425 3.656 50 40 EHGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cccnc3)cc21 208203367 LZXVGQZYJLEWQY-OFJBCHTGSA-N 336.439 3.568 50 40 EHGB COc1cc(C(=O)Cl)ccc1OC(=O)c1ccc(Cl)cc1 218728153 WOALSRBKTOIANJ-UHFFFAOYSA-N 325.147 3.947 50 40 EHGB COc1ccc(SCC(=O)N/N=C\c2ccc(Cl)s2)cc1 408965549 IQTQQEHUKBZGFX-PXNMLYILSA-N 340.857 3.653 50 40 EHGB COc1cc(/C=C(/C#N)c2ccc(F)cc2)ccc1O[C@@H](C)C(=O)O 409011579 NSJBMYDXKVYVJG-ZENNRRHLSA-N 341.338 3.750 50 40 EHGB O=C(CCl)Nc1ccc(Cl)cc1C(=O)NCc1cccs1 152675 KABYEHBMDCBWAB-UHFFFAOYSA-N 343.235 3.509 50 40 EHGB O=C(N/N=C/c1ccccc1)[C@H](Oc1ccccc1)c1ccccc1 1699201 MHHWUHZTOXRQSE-JFLDFIPSSA-N 330.387 3.957 50 40 EHGB C[C@H]1CCC/C(=N\NC(=O)COc2cccc(Br)c2)C1 5163156 SPOVDCHZRRBKBS-ZDQRYUTBSA-N 339.233 3.510 50 40 EHGB COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1C 8336387 SQZKGNQWFVPMAA-VXLYETTFSA-N 348.855 3.899 50 40 EHGB CC(C)(Oc1ccc(F)cc1)C(=O)NNc1nc2ccccc2s1 72311540 LNYHGYJPIBQFEE-UHFFFAOYSA-N 345.399 3.736 50 40 EHGB C[C@@H](NC(=O)/C(C#N)=C\C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 72535346 HBDFVKVTIUNYEY-WYISHOMFSA-N 347.374 3.935 50 40 EHGB Cc1ccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1 408526197 AYPOILBNGBZTPT-LSHDLFTRSA-N 335.329 3.576 50 40 EHGB COc1ccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c2ccccc12 409205708 FFZZAPGBYSJVSN-IXOWOOARSA-N 343.386 3.606 50 40 EHGB COc1ccc2oc(C(=O)c3ccccc3)c(NC(=O)CCl)c2c1 178797 GZPHGESPNJLTLS-UHFFFAOYSA-N 343.766 3.850 50 40 EHGB CC(C)C(=O)NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 1750078 FRGCBMXRXIKOMQ-UHFFFAOYSA-N 348.487 3.583 50 40 EHGB COc1cc(/C=C(\C#N)C(=O)NC(C)C)cc(Cl)c1OC(C)C 6545274 XMOCLHUAXHHSTH-AWNIVKPZSA-N 336.819 3.567 50 40 EHGB N#C/C(=C\c1c[nH]nc1-c1ccccc1)c1nc(O)c2ccccc2n1 16779061 LSKPYHGOERCRKL-GXDHUFHOSA-N 339.358 3.790 50 40 EHGB Cc1cc(Cl)ccc1OCc1cc(/C=N/NC(N)=O)sc1C 1421837 RBGAUSOBOIGWOD-CNHKJKLMSA-N 337.832 3.600 50 40 EHGB CC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1cccc(C(F)(F)F)c1 4391380 BZIVRSWKZBKFAV-CQSZACIVSA-N 338.354 3.920 50 40 EHGB CCc1ccc2nc(NC(=O)[C@H](Br)CC)sc2c1 20132359 MVCNIFHMAOCEGX-SECBINFHSA-N 327.247 3.971 50 40 EHGB COc1cccc(OC)c1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 408970865 LKPIEYBTQDTXHZ-FMIVXFBMSA-N 342.782 3.903 50 40 EHGB COc1ccc(CC(=O)N/N=C/c2ccc(C(C)C)cc2)cc1OC 4735447 LCQMYRWBFLGPLM-FYJGNVAPSA-N 340.423 3.520 50 40 EHGB COc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1OC(C)C 5633331 SKUBHFMMGARIGA-KGENOOAVSA-N 340.423 3.565 50 40 EHGB COc1ccc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1 18271801 KWVDDBVJSTWDAD-OVCLIPMQSA-N 328.375 3.704 50 40 EHGB CC(/C=N\NC(=O)Cn1c(C)nc2ccccc21)=C\c1ccccc1 33299822 JISNCSCWBDGERG-NQNNONOWSA-N 332.407 3.550 50 40 EHGB N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccccc1)Sc1ccccc12 495251 WFRGAJSHSLBCNP-KRWDZBQOSA-N 328.400 3.825 50 40 EHGB biogenic O=C(NN=C1CCCC1)c1ccc(N(CCCl)CCCl)cc1 4821896 WNRHNLUFGLCZPE-UHFFFAOYSA-N 342.270 3.630 50 40 EHGB CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(F)cc2)cc1 5952673 BXWYWHSTNDTSQS-PTNGSMBKSA-N 339.322 3.515 50 40 EHGB N#C/C(=C/c1cn(CC(N)=O)c2ccccc12)c1ccc(Cl)cc1 6045775 KTUJHBHVRKQHFC-ZROIWOOFSA-N 335.794 3.844 50 40 EHGB C/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(C)o1 33690703 ZWICPZTUAJSYKD-ZDLGFXPLSA-N 341.194 3.814 50 40 EHGB N#C/C(=C\c1cccc(-c2ccncc2)c1)C(=O)NCc1ccco1 96435651 IUYZWZHXZNSXEL-LDADJPATSA-N 329.359 3.565 50 40 EHGB N#CC1=C(N2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)CC2=C1CCCCC2 100754800 MJDSUSKSMGMFIX-LSDHHAIUSA-N 342.826 3.946 50 40 EHGB C[C@H](N(Cc1ccc(F)cc1)C(=O)CBr)C(F)(F)F 1776010767 FABWVULTPLISJB-QMMMGPOBSA-N 342.130 3.500 50 40 EHGB C/C(=N/NC(=O)[C@@H]1COc2ccccc2O1)c1ccc2ccccc2c1 349025 OROBFNQISHPKIT-ALFKQNEGSA-N 346.386 3.520 50 40 EHGB COc1ccc(/C(C)=N/NC(=O)c2cc(C)nc3ccccc23)cc1 547755 QCIQRSHHJLVXIL-HYARGMPZSA-N 333.391 3.706 50 40 EHGB O=[P@@](CCl)(OCCCCl)N(CCCl)CCCl 2043646 GMPTYZFCGCJKND-INIZCTEOSA-N 331.007 3.801 50 40 EHGB C[PH](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 104157701 OEBPLVXAHUNUMA-UHFFFAOYSA-N 332.305 3.760 50 40 EHGB F[C@@H](C(F)(F)F)C(F)(F)OC[C@H](Br)C(F)(F)F 1083807970 LXKFPDAJPPGHIR-HRFVKAFMSA-N 342.983 3.822 50 40 EHGB CC1(C)[C@@H](C(=O)N/N=C/c2ccccc2F)[C@@H]1C=C(Cl)Cl 217973 FKTAOUGCEILMEG-MFXKRIOJSA-N 329.202 3.867 50 40 EHGB CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1cccc(F)c1 265008 HJCCFFFWSXIQCY-KRWDZBQOSA-N 347.349 3.659 50 40 EHGB C/C(=N\NC(=O)c1oc2ccccc2c1C)c1ccc(N(C)C)cc1 8125586 KAEZPZDOLUBQQP-KGENOOAVSA-N 335.407 3.961 50 40 EHGB COc1ccc(/C(C)=N/NC(=O)CNc2ccc3ccccc3c2)cc1 12362314 ZLSYDRRONHXKRA-HZHRSRAPSA-N 347.418 3.801 50 40 EHGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OC(F)F 32752490 OXFQPDYYCMZWNE-UKTHLTGXSA-N 344.317 3.842 50 40 EHGB C#CCn1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)c2ccccc21 33659877 SLZMHIXBPGGWBN-OEAKJJBVSA-N 343.430 3.584 50 40 EHGB Cc1cc(/C=C(/C#N)C(N)=O)c(C)n1-c1cc(Cl)cc(Cl)c1 34782162 RHPVKDKIJDOUHE-QCDXTXTGSA-N 334.206 3.793 50 40 EHGB O=C(c1cc(F)ccc1Cl)[C@@H](Br)CBr 306388505 VKLIJPPAZDYNHJ-ZETCQYMHSA-N 344.405 3.820 50 40 EHGB N#C/C(=C\c1cc(Cl)ccc1OCC(N)=O)c1ccc(Cl)cc1 408579347 GAPFZSQGJYQLGF-NTUHNPAUSA-N 347.201 3.922 50 40 EHGB Cc1cccc(-n2nc(C(=O)NN)cc2-c2cccc3ccccc23)c1 408723957 BDWSNTRQSYDOJN-UHFFFAOYSA-N 342.402 3.604 50 40 EHGB CCCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccn2)cc1 5130180 OCZBDDGDCUSZHS-ZXOFLVKFSA-N 343.452 3.501 50 40 EHGB COc1ccc(/C(C)=N/NC(=O)[C@H](C)SCc2ccccc2)cc1 5362318 PRUCRNYBUPMETG-AUQXIXNCSA-N 342.464 3.857 50 40 EHGB Cc1ccccc1C(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 13586167 ORJJKCZQDDBHEC-CIAFOILYSA-N 348.358 3.717 50 40 EHGB O=C(NNc1ccccc1C(F)(F)F)c1ccccc1-n1cccn1 45080321 JIYVYRRTHBNPTM-UHFFFAOYSA-N 346.312 3.648 50 40 EHGB O=C(CNCc1ccc(F)cc1)NN(c1ccccc1)c1ccccc1 57945386 RSQGWDXNMOYPPR-UHFFFAOYSA-N 349.409 3.785 50 40 EHGB O=P(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 103662638 VSJZSGXKNZYQPR-UHFFFAOYSA-N 332.261 3.743 50 40 EHGB COc1ccccc1/C=N/NC(=O)CCSc1ccc(C)cc1 409142439 KJZUBJBRTFNILK-CPNJWEJPSA-N 328.437 3.636 50 40 EHGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(Br)o2)c1 5745980 XVGWDVOTDWCBKQ-YFHOEESVSA-N 347.168 3.596 50 40 EHGB C/C(=N\NC(=O)Cc1c[nH]c2ccccc12)c1nc2ccccc2s1 21923311 VMLWQKURQSPMDX-WSDLNYQXSA-N 348.431 3.861 50 40 EHGB N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1cccs1 1428249 RXYIPWZHPLDAEL-CYBMUJFWSA-N 338.413 3.541 50 40 EHGB CCCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2cccc(CC)c2)C1=O 5021828 KYGWGMPSRBIBPD-AQTBWJFISA-N 337.423 3.554 50 40 EHGB CC/C(=N\NC(=O)c1ccccc1Br)c1ccccc1O 15938566 QHPRJZHLSDBCAU-NBVRZTHBSA-N 347.212 3.699 50 40 EHGB CCCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 33344648 RTONBJBLNVZFTK-STZFKDTASA-N 348.406 3.629 50 40 EHGB CCOc1cc(/C=C(\C#N)C(N)=S)ccc1OCc1ccccc1 34719663 RMZBTHFIZGWVNE-MHWRWJLKSA-N 338.432 3.857 50 40 EHGB Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1ccccc1F 408996875 FHMSMMZTWGEYMZ-UCQKPKSFSA-N 349.409 3.926 50 40 EHGB CC/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 17072040 OOGRWLITFNWFBZ-KNTRCKAVSA-N 345.786 3.721 50 40 EHGB C[C@H]1CCCc2sc(NC(=O)[C@@H](C)Br)c(C#N)c21 18195247 KVOARZXEXIECCW-JGVFFNPUSA-N 327.247 3.781 50 40 EHGB CCC[C@@H](Br)C(=O)Nc1nc2ccc(F)cc2s1 20132594 BONVELXEUSYIJA-MRVPVSSYSA-N 331.210 3.938 50 40 EHGB Cc1ccc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)c(F)c1 44167154 YGZTYGWDFCZBPY-UHFFFAOYSA-N 332.331 3.564 50 40 EHGB CCOc1cc(/C=C(\C#N)C(N)=O)ccc1Cc1ccccc1Cl 408871800 ZTLLWJJLVDYJIH-CXUHLZMHSA-N 340.810 3.722 50 40 EHGB C#CCn1c(C)c(/C=N/NC(=O)c2cccc(C)c2)c2ccccc21 409253239 WOKNDNDELZEKAX-HYARGMPZSA-N 329.403 3.655 50 40 EHGB CCOc1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)cc1 60495 PXUCIYACDQQNQY-OEAKJJBVSA-N 347.418 3.801 50 40 EHGB O=C(NNC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1F 15933963 SFYXDXHHUPEIDK-UHFFFAOYSA-N 349.365 3.959 50 40 EHGB Cc1cc(NC(=O)/C(C#N)=C/c2c[nH]c3cccc(Cl)c23)no1 44920374 XAMAXMUOWGDLMI-UXBLZVDNSA-N 326.743 3.663 50 40 EHGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2F)cc1 209221358 WOHBGZSCUGXVNZ-BOPFTXTBSA-N 338.382 3.836 50 40 EHGB Cc1ccc(NC(=O)N/N=C\c2cccn2-c2ccc(O)cc2)cc1 409017573 MLUISYKSEJSCEF-MOSHPQCFSA-N 334.379 3.647 50 40 EHGB CN(C)CCCN(C(=O)c1ccc(Cl)cc1)N(C)c1ccccc1 5535345 IMBNMIPZOFYXMO-UHFFFAOYSA-N 345.874 3.785 50 40 EHGB OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccc2ccccc2c1 222963124 NJKCFLBYPCPLOS-UHFFFAOYSA-N 337.187 3.617 50 40 EHGB Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3ccccc3C)cc2)n1 130499 YQYNVRHTJRCXNM-LPYMAVHISA-N 346.434 3.621 50 40 EHGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccco2)c(OC(C)C)c1 1105667 KUILTEKNVFUEIT-YBFXNURJSA-N 330.384 3.618 50 40 EHGB Cc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)Cc1cccc2ccccc12 4402412 BAYBELAHDVOSHG-FYJGNVAPSA-N 347.374 3.749 50 40 EHGB Cc1cc(/C=N/NC(=O)Cc2cccs2)c(C)n1C1CCCC1 8334225 PMGIJCICZSRCLN-XDHOZWIPSA-N 329.469 3.974 50 40 EHGB O=S(=O)(O[C@@H]1C[C@@H]2c3ccccc3[C@@H]1[C@@H]2Cl)c1ccccc1 104091509 GTVHFIWBHNQNCG-WCXIOVBPSA-N 334.824 3.653 50 40 EHGB COc1ccc2ccccc2c1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 95536 JXPBWQUYCPTIMI-UDWIEESQSA-N 349.346 3.521 50 40 EHGB O=C(N/N=C\c1ccncc1)[C@H]1CC1(c1ccccc1)c1ccccc1 33388950 UXTGPKGCECPZGV-VMTJQQBPSA-N 341.414 3.538 50 40 EHGB N#C/C(=C\c1csc(-c2ccco2)n1)c1nnc2n1CCCCC2 96310929 XIWOEDPMRGHFPC-FMIVXFBMSA-N 337.408 3.785 50 40 EHGB COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Cl 408792152 ITEYVCGRIJPHNH-MDWZMJQESA-N 342.782 3.903 50 40 EHGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OC 408813123 OECGKCGHVBYSJC-BKUYFWCQSA-N 334.375 3.934 50 40 EHGB N#C/C(=C/c1cc(Br)cs1)C(=O)Nc1ccc(O)cc1 409379317 WSLQDWFXPOETFY-UITAMQMPSA-N 349.209 3.762 50 40 EHGB O=C(NN=C1CCCCCC1)C(=O)Nc1ccc(Cl)c(Cl)c1 4699474 KMGSGVLPDTZZCC-UHFFFAOYSA-N 342.226 3.758 50 40 EHGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(N(C)C)cc1 5330300 SJCBAZJXSHUHBZ-NPRIEWAGSA-N 341.480 3.525 50 40 EHGB Cc1c(/C=C(/C#N)C(=O)NCc2ccccc2)c2ccccc2n1C 13372246 PNAXRBCRZVRBAY-ATVHPVEESA-N 329.403 3.710 50 40 EHGB CC(C)[C@@H](Br)C(=O)Nc1nc2ccc(F)cc2s1 20133347 SBBUKKLBHZDLSP-SNVBAGLBSA-N 331.210 3.793 50 40 EHGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)o2)cc1 59335038 YIEQUGZFZOCANY-DHZHZOJOSA-N 331.169 3.896 50 40 EHGB CCOc1ccc(C(=O)NN)cc1COc1ccccc1C(C)(C)C 224506417 QMMLNRRUTMXQAX-UHFFFAOYSA-N 342.439 3.565 50 40 EHGB CO[C@H]1CCCN(C(=O)/C(C#N)=C/C(C)C)[C@H]1Cc1ccc(C)cc1 585290100 RWLOOHCVCCJMOA-DSFUBLQRSA-N 340.467 3.650 50 40 EHGB Cc1cccc(N[C@H](C)C(=O)N/N=C/c2c(O)ccc3ccccc23)c1 234694 POUQKRCSIOCIHA-IKMPRTQCSA-N 347.418 3.805 50 40 EHGB Cc1ccccc1NC(=O)CCC(=O)N/N=C/c1ccccc1Cl 1960306 MZHNBFXBUKHLEC-UDWIEESQSA-N 343.814 3.517 50 40 EHGB O=C(NNc1ccccc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 4863742 RTWQTGCMSRWXGR-UHFFFAOYSA-N 340.261 3.762 50 40 EHGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 12403623 KZQGLRJDZNPZGM-DEDYPNTBSA-N 333.347 3.902 50 40 EHGB O=C1C=C(NNC(=O)c2cccc(Cl)c2)C[C@H](c2ccccc2)C1 408751546 XBQVOEHMUSFEJA-HNNXBMFYSA-N 340.810 3.605 50 40 EHGB CCOc1ccccc1/C=N/NC(=O)COc1ccc(C(C)C)cc1 516746 ZLCQDGBWEQDXJJ-FYJGNVAPSA-N 340.423 3.738 50 40 EHGB CCn1c(C)cc2c(c1=O)[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 2435088 NHYSSRKAQNBDNU-SFHVURJKSA-N 349.434 3.518 50 40 EHGB CCn1c(/C(C#N)=C/c2ccc(C(=O)OC)cc2)nc2ccccc21 4535860 OAHSSEDAPUOEDP-FOWTUZBSSA-N 331.375 3.907 50 40 EHGB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N=C(O)C(C#N)=C3C)o2)cc1 4680720 KNGOHZSJNAXLKY-SXGWCWSVSA-N 346.342 3.869 50 40 EHGB COCc1ccc(C(=O)NNc2ccc(Cl)c(Cl)c2)cc1 32675663 OMVLHHWZUSHLAT-UHFFFAOYSA-N 325.195 3.897 50 40 EHGB COC(=O)CC1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1 79481342 XMDCHCNHGWOKAO-CQSZACIVSA-N 345.530 3.502 50 40 EHGB CCOC(=O)c1c(NC(=O)NN=CCC(C)C)sc2c1CCC2 245241455 DYWNTVOKUOAKEY-UHFFFAOYSA-N 337.445 3.567 50 40 EHGB N#C/C(=C\c1ccccc1OCC(N)=O)c1ccc(Cl)cc1Cl 408580350 OSIKEKXWUJEWSQ-KPKJPENVSA-N 347.201 3.922 50 40 EHGB C/C(CCc1ccccc1)=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1 408770870 BSMLMTOOFYVKTB-XMHGGMMESA-N 325.368 3.642 50 40 EHGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccccc1O 36545 VXOFUWSVZANLCT-WOJGMQOQSA-N 334.828 3.678 50 40 EHGB Br[C@@H]1CCCCCC[C@@H](Br)C12OCCO2 40484 CPWLQKKKZJUKKB-NXEZZACHSA-N 342.071 3.611 50 40 EHGB CSc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1 2737789 MXFGYDRSWYDJAH-LICLKQGHSA-N 349.253 3.935 50 40 EHGB C/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccc2c(c1)OCO2 17072076 RUQMJBRTNQOTKB-HYARGMPZSA-N 346.386 3.651 50 40 EHGB COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1 33413113 KWGFEJSDLNRYPU-BOPFTXTBSA-N 334.375 3.636 50 40 EHGB COC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1 4525972 CTDYEISVCIQJEQ-VXLYETTFSA-N 348.786 3.618 50 40 EHGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OC 4827534 QPJALEKWAQRYBT-RGVLZGJSSA-N 346.814 3.820 50 40 EHGB CC(=O)N(/N=N/c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 5383039 MRPNXDMCMAMBHD-FOCLMDBBSA-N 329.272 3.555 50 40 EHGB Oc1c(Br)cc(CBr)cc1Br 32267045 VAYGTMNZLZAUDL-UHFFFAOYSA-N 344.828 3.812 50 40 EHGB O=C(/C=C/c1nccs1)NN=C(c1ccccc1)c1ccccc1 71818795 NWUGYHDDSCGHFQ-VAWYXSNFSA-N 333.416 3.725 50 40 EHGB Cc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc1[N+](=O)[O-] 408720226 WGXAAMFJQNYWEJ-FHXOWUIVSA-N 343.408 3.534 50 40 EHGB COc1ccc(CC(=O)N/N=C(\C)c2cccc3ccccc23)cc1 409316655 MTQKYNGMIPDPKZ-PXLXIMEGSA-N 332.403 3.931 50 40 EHGB C/C(=N\NC(=O)c1ccccc1C)c1cccc(Br)c1 4144959 OSOUVAMGLVVNQX-LDADJPATSA-N 331.213 3.912 50 40 EHGB CN(C)C(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12 4705360 IOWJOVVJSATBQE-SFQUDFHCSA-N 329.403 3.685 50 40 EHGB Cc1ccc(SCC(=O)NNC(=O)CCC2CCCCC2)cc1 6428952 VJRBSPATMFGSAN-UHFFFAOYSA-N 334.485 3.595 50 40 EHGB CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\c2ccc(O)cc2)cc1 30802702 JADDGTMWLWPGFM-PAFYXOFSSA-N 336.435 3.944 50 40 EHGB COC(=O)/C(C#N)=C\c1ccc(-c2ccccc2Br)o1 211341955 MNHMDHAGVPIXOG-NTMALXAHSA-N 332.153 3.789 50 40 EHGB Cn1c(SCCCCl)nnc1-c1ccc(Cl)c([N+](=O)[O-])c1 228979237 GAQWADLSVJERPL-UHFFFAOYSA-N 347.227 3.765 50 40 EHGB O=C(N/N=C/c1ccc(-c2ccccc2C(=O)O)o1)Nc1ccccc1 408719970 IEJCPPSFRIMYGU-UDWIEESQSA-N 349.346 3.800 50 40 EHGB CCOc1cc(/C=N/NC(C)=O)ccc1OCc1ccc(Cl)cc1 408720084 RRPLZWFYFBZYHB-RGVLZGJSSA-N 346.814 3.788 50 40 EHGB Cc1ccc(-n2nc(C(=O)NN)cc2-c2cccc3ccccc23)cc1 408727429 WVIJJFYXAPKIJZ-UHFFFAOYSA-N 342.402 3.604 50 40 EHGB CCCOc1cccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c1 1788450 MAVDCYYTBFJBEM-QGOAFFKASA-N 327.405 3.814 50 40 EHGB CC(C)[C@@H](C(=O)NNC(=O)c1ccccc1F)c1ccc(Cl)cc1 2651386 MOYWBZJPFBWKPD-MRXNPFEDSA-N 348.805 3.680 50 40 EHGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc2sc(=O)oc12 4453827 OFBMCMDIKFOYQM-IZZDOVSWSA-N 349.371 3.804 50 40 EHGB C/C(=N\NC(=O)c1cc(C)n(-c2ccccc2)c1C)c1ccc(N)cc1 7063796 SYQUEYAQFIMQBV-HZHRSRAPSA-N 346.434 3.830 50 40 EHGB O=C(CSc1ccccc1)N/N=C/c1ccc(Br)cc1 59166369 KXFLOLBUZCKSBE-LICLKQGHSA-N 349.253 3.692 50 40 EHGB CCN(CC)C(=O)/C(C#N)=C\c1cccn1-c1ccc(Cl)cc1 59248107 QFJQAJFQBGOZND-OWBHPGMISA-N 327.815 3.906 50 40 EHGB CO[C@H](C(=O)N/N=C/c1ccc(OCC(C)C)cc1)c1ccccc1 408720238 WPRFTJVOVZFXCT-IOVUBPJKSA-N 340.423 3.559 50 40 EHGB Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1ccccc1F 408777506 AVUFQGFVYNKEQH-YBEGLDIGSA-N 325.387 3.665 50 40 EHGB O=C(CSc1ccccc1)N/N=C/c1cccc(Br)c1 59167525 QGNOCZRRUUKUEH-LICLKQGHSA-N 349.253 3.692 50 40 EHGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)C(C)(C)C)c1C 5211248 USUOBHUHEIZTRG-MHWRWJLKSA-N 330.428 3.580 50 40 EHGB COc1ccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@H](C)C[C@H]32)cc1 19853235 HTOYCAGQFXFQLG-CRFBAAHOSA-N 344.418 3.535 50 40 EHGB C[C@H](NC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccccc1)c1ccccc1 13120465 CKFLUYPNIJYQSN-BRFSQIRFSA-N 342.402 3.861 50 40 EHGB CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1 6489694 DZIPVJODAFSAIX-KAMYIIQDSA-N 337.335 3.539 50 40 EHGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc2c1 366199 OFBSFFNWJQIYTL-RGVLZGJSSA-N 348.362 3.524 50 40 EHGB COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 12367940 HQUZEVHAMSZKCG-JYRVWZFOSA-N 325.280 3.576 50 40 EHGB Cc1ccc(OCC(=O)N/N=C\c2c(F)cccc2Cl)c(C)c1 13955375 DWNJBRKOSOAYAJ-UKWGHVSLSA-N 334.778 3.625 50 40 EHGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccccc1 59334746 RSXZXPZOCIGANB-ZHZULCJRSA-N 346.430 3.989 50 40 EHGB O=C(CCc1nc(CCl)no1)Nc1nc(-c2ccccc2)cs1 95470275 DLMWGOFCBHAICM-UHFFFAOYSA-N 348.815 3.503 50 40 EHGB Cc1ccc(CC(=O)N/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 216045932 NPISVGRMPPOUFF-GRSHGNNSSA-N 345.786 3.558 50 40 EHGB CCc1cc(C(=O)c2cccc(F)c2)c(NC(=O)CCl)s1 414591 XHXPUUNGARWAQS-UHFFFAOYSA-N 325.792 3.858 50 40 EHGB CC1(CC(=O)N/N=C/c2c(O)ccc3ccccc23)SCCS1 1105635 IXPVHZGEGKBMHA-WOJGMQOQSA-N 346.477 3.582 50 40 EHGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)C[C@@H](C)O3)c1 2435097 DSEXMRLNRVGMFB-BVTUPMQUSA-N 334.375 3.564 50 40 EHGB CN1NC(c2ccc(Cl)cc2)=C(C#N)C(=O)C[C@H]1c1ccccc1 5886845 BDIHQYSGYOKIER-KRWDZBQOSA-N 337.810 3.725 50 40 EHGB C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1ccc(O)c(Cl)c1 20195400 XJJWRCAHRVVPJS-DEDYPNTBSA-N 330.815 3.745 50 40 EHGB O=C(N/N=C1/CCCc2ccccc21)c1ccccc1Br 101928848 VJHFHVPVPMMMIR-MNDPQUGUSA-N 343.224 3.920 50 40 EHGB CCCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccccc1N 208921522 QPGVYUGZQHZILL-UCQKPKSFSA-N 347.418 3.975 50 40 EHGB CCOc1ccccc1/C=N/NC(=O)c1cc(C)nc2ccccc12 33064 NXDPDQVFOYLPEI-FYJGNVAPSA-N 333.391 3.706 50 40 EHGB CC(C)(C)OC(=O)N/N=C/c1cccc(OC(=O)c2cccs2)c1 23410896 DNYPRPAVZARORW-WOJGMQOQSA-N 346.408 3.826 50 40 EHGB Cc1cccc(C)c1N[C@H](C)C(=O)N/N=C\c1c[nH]c2ccccc12 30726594 WFDIHXSEPFIFFS-SRMCNWIXSA-N 334.423 3.735 50 40 EHGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3C#N)o2)cc1 409007585 PKARSWYXNSPXHZ-LPYMAVHISA-N 345.358 3.591 50 40 EHGB O=C(N/N=C/c1ccc(-c2cccc(F)c2)o1)c1ccc(F)cc1 409011275 FWUUAMRPUCVZAG-SRZZPIQSSA-N 326.302 3.989 50 40 EHGB N#CC1=C(S)N(c2ccccc2)[C@H](c2ccccc2Cl)NC1=O 550836 SCKUHIRIFRLZKJ-OAHLLOKOSA-N 341.823 3.640 50 40 EHGB N#CC1=CCN(C(=O)c2ccc(C3SCCCS3)cc2)CC1 95452993 DCGXZYXPCLGNAB-UHFFFAOYSA-N 330.478 3.851 50 40 EHGB CC(C)(C)c1ccc(C(=O)NNC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 103057601 NUCQJBBTGVZAIE-FVQBIDKESA-N 328.456 3.571 50 40 EHGB Cn1c(SCCCCl)nnc1-c1ccc(-n2cccc2)cc1 228930952 UFUGMFJUICLGQK-UHFFFAOYSA-N 332.860 3.994 50 40 EHGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC 409190186 MHCUMCDZYAMTFE-VQCBNXJZSA-N 342.439 3.838 50 40 EHGB O=C(N/N=C(\c1ccccc1)c1ccncc1)[C@H]1C[C@@H]1c1ccccc1 3098634 ZBQFQKWHCDKTIV-INFINQIGSA-N 341.414 3.754 50 40 EHGB O=C(COc1ccc(OCc2ccccc2)cc1)NN=C1CCCC1 5020058 YKNXHXYSSWHJIH-UHFFFAOYSA-N 338.407 3.691 50 40 EHGB CCC[C@H](Br)C(=O)Nc1nc2c(F)cccc2s1 20132819 UDHSKJDXMKKUDU-ZETCQYMHSA-N 331.210 3.938 50 40 EHGB COc1ccccc1/C=N\NC(=O)C(c1ccccc1)c1ccccc1 33306374 LBYHTRPUTZVCMX-KQWNVCNZSA-N 344.414 3.977 50 40 EHGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)C[C@H](C)O3)cc1 408710681 FCGZFEAPGFMWRS-RERGGYADSA-N 334.375 3.564 50 40 EHGB Cn1c(=O)oc2cc(N/C=C(\C#N)c3nc4ccccc4s3)ccc21 16363990 GUCPDKLCNVYTAR-ZHACJKMWSA-N 348.387 3.718 50 40 EHGB N#C/C(=C/c1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1 33700839 RRIBEDFYPWSTDI-SXGWCWSVSA-N 328.780 3.550 50 40 EHGB Cc1ccc(/C=N\NC(=O)c2cc3ccccc3cc2O)cc1[N+](=O)[O-] 38198334 FMHBEGHPJLBJEV-JAIQZWGSSA-N 349.346 3.526 50 40 EHGB O=C(NNc1ccccc1C(F)(F)F)c1ccc(O)c(Cl)c1 40047609 QWCRNUZRYTTXIH-UHFFFAOYSA-N 330.693 3.821 50 40 EHGB O=C(CCCCBr)Nc1ccc(Br)cc1 71256242 DEBXWAMSKVXSKM-UHFFFAOYSA-N 335.039 3.953 50 40 EHGB Cc1ccc2cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)c(=O)[nH]c2c1 4864331 BKBWRQOBJSCZLO-MHWRWJLKSA-N 331.331 3.809 50 40 EHGB O=C(CCl)N(Cc1cccnc1)c1ccc(C(F)(F)F)cc1 199755902 AXGCWDMPHUXWSC-UHFFFAOYSA-N 328.721 3.872 50 40 EHGB O=C1c2cccc3cccc(c23)C(=O)N1CCCCBr 4288692 BVEQCSSYYLIIHY-UHFFFAOYSA-N 332.197 3.611 50 40 EHGB C/C(=N\NC(=O)C1[C@@H]2CCCC[C@@H]12)c1ccc(Br)cc1 100025845 KRDBWWMPMKJBMX-DTVMNVQKSA-N 335.245 3.726 50 40 EHGB O=C(CCl)Nc1ccccc1Sc1nccc(C(F)(F)F)n1 152442 WKMMJMSBXXPLGD-UHFFFAOYSA-N 347.749 3.824 50 40 EHGB O=C(O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1Br 1712182 HYAYFCQYLQCRPU-CKUJCDMFSA-N 329.193 3.742 50 40 EHGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(N)=S 3277753 HCHZLEZLQKPBIP-PTNGSMBKSA-N 330.416 3.732 50 40 EHGB CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 101640352 AYMDFCDLGUDIPV-LMPBZQOYSA-N 339.439 3.599 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(O)c1 408897596 YSOWPOILOZEDTO-XYOKQWHBSA-N 328.755 3.600 50 40 EHGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 6820008 ORQNQHGTLLSYGW-RVDMUPIBSA-N 349.346 3.705 50 40 EHGB CC(C)Oc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3)[nH]n2)cc1 18144161 NVKYSUKICQLCGI-FYJGNVAPSA-N 348.406 3.628 50 40 EHGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)NC3CC3)cc2)c1 59133222 GQFHVPJAIKDFTI-LDADJPATSA-N 332.403 3.760 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1OCC 408856468 HIPXGSDAQSSCDV-UDWIEESQSA-N 346.814 3.901 50 40 EHGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1cccnc1Cl 165707 KMAALPABMOYMGI-CNHKJKLMSA-N 328.586 3.806 50 40 EHGB N[C@H](CSSC[C@H](N)Cc1ccccc1)Cc1ccccc1 1635081 HMGPKVXXJNKEBR-HDICACEKSA-N 332.538 3.508 50 40 EHGB CCC/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(C)s1 5792039 GLOHTOMNLSYKAL-QGOAFFKASA-N 330.409 3.719 50 40 EHGB O=C(N/N=C\c1ccccc1O)C(c1ccccc1)c1ccccc1 59515941 TUXCXXLSSHUCAE-JCMHNJIXSA-N 330.387 3.674 50 40 EHGB CCN1c2ccc(/C=N/NC(=O)c3cccnc3)cc2C(C)=CC1(C)C 208508694 REDKJSLZFAKFDJ-YDZHTSKRSA-N 348.450 3.867 50 40 EHGB CC(C)(C)OC(=O)NN[C@H](c1ccc(N)cc1)c1ccc(F)cc1 228971714 OEXKABWGQZWWDI-INIZCTEOSA-N 331.391 3.527 50 40 EHGB Cc1cccc(-n2c(C)cc(/C=N\NC(=O)c3cccc(O)c3)c2C)c1 408765205 ZYYZFMJVMUMZKN-XKZIYDEJSA-N 347.418 3.872 50 40 EHGB COc1ccc([C@H](O)P(=O)(c2ccccc2)c2ccccc2)cc1 159097 SYYQNCCGNQDEMF-HXUWFJFHSA-N 338.343 3.700 50 40 EHGB COc1ccc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)cc1O 257067 VFKBXPADMYCZGJ-HYARGMPZSA-N 346.386 3.832 50 40 EHGB CCOc1cc(C=C(C#N)C#N)ccc1OCC(=O)Nc1ccccc1 411808 UNDQGRRWEGIGFN-UHFFFAOYSA-N 347.374 3.533 50 40 EHGB Cc1cc(Cl)ccc1NC(=O)C(=O)NN=C1CCCCCCC1 5540638 KJYDJFQMLPWPNS-UHFFFAOYSA-N 335.835 3.803 50 40 EHGB N#CC1=CN(c2ccc(Cl)cc2)c2cc(F)ccc2S1(=O)=O 38654560 KAQVPOKZJIZOMI-UHFFFAOYSA-N 334.759 3.769 50 40 EHGB CNC(=O)/C(C#N)=C\c1cc2c(cc1Cl)N(C)C(C)(C)C[C@H]2C 208238326 FGAFOOFZBCKRCB-PZHUPROXSA-N 331.847 3.715 50 40 EHGB COc1cc(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c1O 408819773 RTNKACFEWQFLOJ-WDZFZDKYSA-N 346.745 3.739 50 40 EHGB O=C(CSc1cccc2cccnc12)N/N=C/[C@@H]1CC=CCC1 77049 ZYRCUHKSOIAGLI-MQMKENTISA-N 325.437 3.785 50 40 EHGB CCCCCC[C@@H]1/C(=N\NC(=O)c2ccccc2)CC[C@H]1C(=O)OC 5164547 BATQKXRPAFSNEO-IVPDVRGISA-N 344.455 3.942 50 40 EHGB COc1ccc(C(=O)N/N=C\c2ccc(C)c(Br)c2)cc1 33511528 CVMLWPDXKZEGOB-ZDLGFXPLSA-N 347.212 3.530 50 40 EHGB CCOc1ccc(Cl)cc1/C=N/NC(=O)CNc1ccc(C)cc1 408526151 ANWMSXFJRNEOQG-SRZZPIQSSA-N 345.830 3.609 50 40 EHGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])o1 408862798 MJIXSEJYGVWVKH-JXMROGBWSA-N 331.715 3.695 50 40 EHGB Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)c1 409365156 QEMGQSFFLMYOFF-GRSHGNNSSA-N 345.786 3.558 50 40 EHGB CC1=CC[C@@H](/C(C)=N/NC(=O)c2cccc(N3CCCC3=O)c2)CC1 333798 BSVMMRQBZOAQBN-GXPOEHQZSA-N 339.439 3.666 50 40 EHGB CCOC(=O)[C@H](Br)Cc1cccc(Cl)c1Cl 3178294 SIGDZXDGPOBXLP-MRVPVSSYSA-N 326.017 3.863 50 40 EHGB C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccc(C)o1 4616477 NZBGYAKNQDEYEN-WOJGMQOQSA-N 345.449 3.830 50 40 EHGB COc1ccc(S(=O)(=O)/C(C#N)=C/Nc2ccc(Cl)cc2)cc1 17887924 HMRHMKQNPRNNPU-LFIBNONCSA-N 348.811 3.599 50 40 EHGB COc1cc(C=C(C#N)C#N)ccc1OCc1cccc([N+](=O)[O-])c1 113833574 WPHASQOYTOLJMP-UHFFFAOYSA-N 335.319 3.613 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1OCC 562564 OPYWUNBJQMHGMM-DEDYPNTBSA-N 326.396 3.556 50 40 EHGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C/c2ccc(O)cc2)cc1 4724492 JADDGTMWLWPGFM-AKVUPHRLSA-N 336.435 3.944 50 40 EHGB N#C/C(C(=O)c1cccc2ccccc12)=C1\NC(=O)c2ccccc2N1 13150290 HPELAIODSVQRGG-LVZFUZTISA-N 339.354 3.613 50 40 EHGB CC(/C=N/NC(=O)COc1cccc(Cl)c1)=C\c1ccccc1 16136537 RYSGHYMWBSRTIG-LRTDHGKOSA-N 328.799 3.924 50 40 EHGB CCOc1ccc(Cl)cc1/C=N/NC(=O)Cc1ccc(F)cc1 409236341 FAVHZSHMULYQDI-RGVLZGJSSA-N 334.778 3.571 50 40 EHGB CC(C)(C)C1=C(C#N)[C@@H](c2ccc(Br)cc2)NC(=O)N1 409368043 MAAUZZWYQBBLIA-GFCCVEGCSA-N 334.217 3.627 50 40 EHGB CCCCSC1=C(C#N)[C@@H](c2ccc(OC)c(OC)c2)CC(=O)N1 12276338 DGGDXAQPAFKYKV-CYBMUJFWSA-N 346.452 3.576 50 40 EHGB O=C(Cc1ccccc1)N/N=C\c1ccc(OCc2ccccc2)cc1 33322894 ALPJCAATKMTQHK-KQWNVCNZSA-N 344.414 3.958 50 40 EHGB CCOc1ccc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc1OCC 408975636 BQPUAPUAAWPAAT-MHWRWJLKSA-N 339.395 3.545 50 40 EHGB CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(Cl)c1O 409369283 AMGBTEKAAQNJSL-AWNIVKPZSA-N 345.786 3.505 50 40 EHGB C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)CNc2ccc(OCC)cc2)C1 358220 XDWWVBAOSPJCAM-UFIXSJTLSA-N 341.455 3.902 50 40 EHGB COC(=O)[C@@H](C#N)C1=C(C(SC)=C(C#N)C#N)[C@@H](C)CC(C)(C)C1 5529101 SNAXQATUHXPAEC-FZMZJTMJSA-N 343.452 3.716 50 40 EHGB CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1O 5953762 UYPFAWXUOULXPZ-FYJGNVAPSA-N 334.375 3.708 50 40 EHGB Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)o1 573561 JREUZODRNHIOOO-FYJGNVAPSA-N 334.375 3.931 50 40 EHGB CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OCC)cc2)c1C 3200323 DVHCYXUOUXACFK-SFQUDFHCSA-N 338.407 3.963 50 40 EHGB CCCCOC(=O)N/N=C/c1c[nH]c2ccc(Br)cc12 18192184 KMQURZCUHOEWRR-RQZCQDPDSA-N 338.205 3.791 50 40 EHGB CC(C)[C@H](Br)C(=O)Nc1nc2c(F)cc(F)cc2s1 20133384 GORCJDYDZPSSPS-VIFPVBQESA-N 349.200 3.933 50 40 EHGB Cc1ccc(Cl)cc1NC(=O)C(=O)NN=C1CCCCCCC1 59434264 FSGFDXKGCXDUEB-UHFFFAOYSA-N 335.835 3.803 50 40 EHGB O=C(CCCC[C@H]1CCSS1)Nc1cccc(-c2nnn[nH]2)c1 73578396 JZXXCHIKHIGZSF-ZDUSSCGKSA-N 349.485 3.519 50 40 EHGB CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1 408779083 QNMVAAFKSFUMHX-FYJGNVAPSA-N 338.407 3.673 50 40 EHGB CNC(=O)/C(C#N)=C\c1cn(Cc2cccc(C)c2)c2ccccc12 408996473 PKDGGDGQGSCMSA-BOPFTXTBSA-N 329.403 3.651 50 40 EHGB CC(C)COC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 2669726 NBGJJUUQBBSMAO-NTEUORMPSA-N 340.335 3.961 50 40 EHGB O=C(N/N=C1/CCCc2ccccc21)c1ccc(Br)o1 101087808 WEBIPNXOERHLBP-ATVHPVEESA-N 333.185 3.513 50 40 EHGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2O)cc1 408745850 PNWKBETWQKWWOO-WQLSENKSSA-N 328.755 3.600 50 40 EHGB COc1ccccc1/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1 148339 VYNLPCDPUHBIEE-XNTDXEJSSA-N 333.796 3.687 50 40 EHGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(N)=O 331726 JCRDUXHSDKQEKC-NTEUORMPSA-N 335.794 3.735 50 40 EHGB C[C@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 4306496 QODBGVPQLWXHRB-HCYMMDDMSA-N 337.335 3.857 50 40 EHGB CC/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc(O)cc1 4499068 QJUFNLCXNJGXNF-DYTRJAOYSA-N 334.375 3.795 50 40 EHGB COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OC 4503314 JRLOZCPXVUJSGG-FYJGNVAPSA-N 334.375 3.621 50 40 EHGB O=[P@@]1(NCCCl)OC(c2ccccc2)=CCN1CCCl 6574905 XXTCGJILQQNSSP-FQEVSTJZSA-N 335.171 3.535 50 40 EHGB C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)CNc2ccc(OC)cc2)C1 12404045 BXQBYUSXWKCGDR-GALDBLJUSA-N 327.428 3.512 50 40 EHGB Cc1cc(N2CCCC2)ccc1/C=C(/C#N)C(=O)NC1CCCCC1 15227548 JNBOVCYURJWRQE-JXAWBTAJSA-N 337.467 3.951 50 40 EHGB CCCCOc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1OCC 192556932 RPZHXJQGKVNMFQ-GHRIWEEISA-N 342.439 3.794 50 40 EHGB NNC(=O)/C=C/c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 252486112 HHHVQCITSPRGBD-ZZXKWVIFSA-N 330.693 3.622 50 40 EHGB C[C@H]1Cc2cc(/C=N\NC(=O)c3cccc(C(F)(F)F)c3)ccc2O1 408710763 JOUMIEDFUDVGCZ-NQWZYWRBSA-N 348.324 3.793 50 40 EHGB COc1cc(C=C(C#N)C#N)ccc1Oc1nc(Cl)ncc1F 2315430 VQIHNCDHWGPXPW-UHFFFAOYSA-N 330.706 3.501 50 40 EHGB O=C(CCl)Nc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 2641192 WNTQWVSLHGBDEF-UHFFFAOYSA-N 329.762 3.856 50 40 EHGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C[C@@H]2C=CC[C@H]12 4155796 HRBVLWOKJJRCCI-JZHSVURXSA-N 339.222 3.829 50 40 EHGB O=C(N/N=C/c1cccc(Br)c1)c1c[nH]c2ccccc12 5685496 JDRZHDVQSGVQAS-DJKKODMXSA-N 342.196 3.694 50 40 EHGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)ccc2OC)cc1 67190155 KGGNJPQHHVUIFL-LFIBNONCSA-N 336.391 3.812 50 40 EHGB C=CCOC(=O)C1=C(C)NC(SC)=C(C#N)[C@H]1c1cccs1 95207657 OEJPXQQXGOUZEV-AWEZNQCLSA-N 332.450 3.536 50 40 EHGB CC(C)(C)OC(=O)N1CCC(=O)C[C@@H]1CO[Si](C)(C)C(C)(C)C 203639433 HDJGUCSZJYEJMC-CYBMUJFWSA-N 343.540 3.977 50 40 EHGB Cc1cc(C)c(OCC(=O)N/N=C/c2ccc(Cl)cc2)c(C)c1 356766 RNWXYHCYTIORSO-KEBDBYFISA-N 330.815 3.794 50 40 EHGB O=C(O)CC/C(=N\NC(=O)Nc1cccc(Cl)c1)c1ccccc1 4037047 FEDTXGXAFMZPML-HMMYKYKNSA-N 345.786 3.731 50 40 EHGB N#CC(C#N)=Cc1ccc(-c2ccc(Br)cc2C(=O)O)o1 16384363 XRDWOZPVONFDQI-UHFFFAOYSA-N 343.136 3.838 50 40 EHGB Cc1cc(C)nc(NNC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 40049264 RYYMAYJNOBENAP-UHFFFAOYSA-N 344.846 3.702 50 40 EHGB Cc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)c(C)n1C 408776484 ZTAAQDONWADOEB-LPYMAVHISA-N 348.450 3.813 50 40 EHGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1 408789854 SALLORKQKHXKMN-RVDMUPIBSA-N 336.778 3.898 50 40 EHGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc2ccccc2c1 220759 ZXNCVXQKMVELHE-LPYMAVHISA-N 332.403 3.986 50 40 EHGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(-n3ccnc3)cc2)cc1 19635025 CVUVEYGBFHEGMB-OEAKJJBVSA-N 346.434 3.934 50 40 EHGB O=C(N/N=C/C=C/c1ccccc1)c1cc(Br)ccc1O 23382886 KDAYXAPGPXDCBN-UOMISXDJSA-N 345.196 3.584 50 40 EHGB Cc1cccc(CNS(=O)(=O)c2ccc(CCCCl)cc2)c1 60348960 HLURDHGUNSMNBI-UHFFFAOYSA-N 337.872 3.645 50 40 EHGB Cc1cc2nc3c(nc2cc1C)N(C)C1=C(N=N[C@H](Cl)C1=O)S3 103742050 KMBHMVVLDGEEQI-LBPRGKRZSA-N 345.815 3.557 50 40 EHGB O=C(CCn1c2c(c3ccccc31)CCCC2)NN=Cc1ccco1 245238196 FXXQMJXQESCTGB-UHFFFAOYSA-N 335.407 3.654 50 40 EHGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1c(Cl)cccc1Cl 405752 KDFCLRRMHUFBRS-CQSZACIVSA-N 333.174 3.917 50 40 EHGB Cc1ccc(/C=C/C(=O)NNC(=O)c2oc3ccccc3c2C)s1 7898459 DWLMKRNJQWVDOL-MDZDMXLPSA-N 340.404 3.586 50 40 EHGB Cc1ccc(C(=O)NN(C)c2ccccc2)cc1NC(=O)c1ccco1 15133484 VVRUYVGHZUIKES-UHFFFAOYSA-N 349.390 3.622 50 40 EHGB CC(=O)c1cc(C(=O)NN(Cc2ccccc2)c2ccccc2)n(C)c1 52989145 MKOXHGKFXUWRKI-UHFFFAOYSA-N 347.418 3.579 50 40 EHGB O=S(=O)(c1ccc(Cl)c(Cl)c1)C(F)(F)[C@@H](F)Cl 91252542 SULJUMQWQLVKIZ-SSDOTTSWSA-N 327.538 3.894 50 40 EHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3N)c2C)cc1 408589844 NBXGIFMZICTKCQ-YDZHTSKRSA-N 346.434 3.749 50 40 EHGB CCOc1cc(/C=N/NC(=O)/C=C/c2ccc(Cl)cc2)ccc1O 409072717 RZAOBYASKOAPGK-UPINRHINSA-N 344.798 3.608 50 40 EHGB C/C(CCc1ccccc1)=N\NC(=O)c1c(C)nc2ccc(C)cn12 59444065 WVWBGOHFPMFAKM-PXLXIMEGSA-N 334.423 3.690 50 40 EHGB C/C(=N\NC(=O)c1ccccc1O)c1c[nH]c2ccc(Cl)cc12 62772217 DRRMKPYEDGWIBJ-KEBDBYFISA-N 327.771 3.681 50 40 EHGB O=C1OC(=O)c2ccccc2/C1=N/Nc1cc(Cl)cc(Cl)c1 95749421 JCPMZTNOHLMTQV-UYRXBGFRSA-N 335.146 3.507 50 40 EHGB CC[C@H](C)Oc1ccccc1/C=N/NC(=O)c1ccc(OC)cc1 408604260 UOLVNPZYSRPVST-ZXOFLVKFSA-N 326.396 3.636 50 40 EHGB O=C1[C@@H](Cl)N(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1c[nH]c2ccccc12 5594144 PYJHBQWXRZSGTI-WBVHZDCISA-N 341.754 3.771 50 40 EHGB CCCN1CCC(=NNC(=O)C(c2ccccc2)c2ccccc2)CC1 5793344 ATIJUDGWSGEWIB-UHFFFAOYSA-N 349.478 3.797 50 40 EHGB O=C(NNC(=O)C1CCCCC1)Nc1ccc(Cl)c(Cl)c1 370862 IBTSJMMAUVASEE-UHFFFAOYSA-N 330.215 3.726 50 40 EHGB COc1cc(C=C(C#N)C#N)ccc1OC(=O)c1ccc(Cl)cc1 3170346 GMUWUHLZMDRXNV-UHFFFAOYSA-N 338.750 3.998 50 40 EHGB O=C(CCl)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 4204480 XWRHQDCSYNDPNC-ZDUSSCGKSA-N 328.755 3.942 50 40 EHGB CC/C(Cc1ccccc1)=N\NC(=O)[C@H](C)Nc1ccccc1OC 15930920 NYKSTTPHHJWEMC-GBPUDXIESA-N 339.439 3.621 50 40 EHGB O=C(N/N=C/c1ccc(N2CCCC2)o1)c1ccc2ccccc2c1 59138235 LFAOIYMFQPCRNM-KGENOOAVSA-N 333.391 3.797 50 40 EHGB COc1ccc(C/C(O)=C(\C#N)c2nc3ccccc3[nH]2)cc1OC 101958703 FBYGCGWLXQVYGW-SSZFMOIBSA-N 335.363 3.615 50 40 EHGB CCN(CC)C(=S)SC/C(O)=C(\C#N)c1nc2ccccc2[nH]1 103395453 OWQCNKOJSCLYSG-KAMYIIQDSA-N 346.481 3.715 50 40 EHGB COc1ccc(NC2=N[C@@H]3CCC[C@@H](Br)[C@H]3S2)cc1 254815320 OOJRPMYTTWBFHT-JHJVBQTASA-N 341.274 3.895 50 40 EHGB C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)o1 4888769 MWWRPKZSVLGNLZ-XFRGYXEISA-N 336.347 3.647 50 40 EHGB CC/C(=N\NC(=O)c1ccccc1Cl)c1ccc(OC)c(OC)c1 6377922 DNJFYHRJHHQBAW-HMMYKYKNSA-N 346.814 3.901 50 40 EHGB CC(C)c1ccc(OCC(=O)NN=Cc2ccc(Cl)cc2)cc1 20010793 RWQWNBSVVCPBMA-UHFFFAOYSA-N 330.815 3.993 50 40 EHGB Cn1c(CCl)ns/c1=N\C(=N\c1ccccc1)c1ccccc1 102268714 OMAJUAIZNYQVBQ-YZXPOQMXSA-N 342.855 3.900 50 40 EHGB C/C(=N\NC(=O)COc1ccc2ccccc2c1)c1ccc(C)cc1O 104873602 OVLYITSYJMNSNG-PXLXIMEGSA-N 348.402 3.773 50 40 EHGB Cc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)cc1C 370506 XLPJXBBZANCYGB-UPAIAECRSA-N 348.402 3.817 50 40 EHGB N#Cc1ccccc1-c1ccc(/C=N/NC(=O)Cc2ccccc2)o1 562652 ZODFFLULMFUETR-HYARGMPZSA-N 329.359 3.511 50 40 EHGB COc1ccccc1/C=C/C=C(\C#N)S(=O)(=O)c1ccc(C)cc1 574625 XPUPMYMVXDGUEV-FFEFAENFSA-N 339.416 3.898 50 40 EHGB C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 4587720 PDNRYESCJRFIBM-DEDYPNTBSA-N 333.347 3.902 50 40 EHGB O=C(Cc1ccccc1)N/N=C/[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl 4697606 AVKBQSAIFACIFT-ZZMGYYNLSA-N 347.245 3.919 50 40 EHGB Cc1cc(Cl)ccc1OCCCC(=O)N/N=C1/C[C@H]2C=CC[C@H]12 6270161 MBBDAZBEWAXJNN-HMFAPSLPSA-N 332.831 3.876 50 40 EHGB CN(C)C(=O)/C(C#N)=C\c1cn(Cc2ccccc2)c2ccccc12 15225930 IOWJOVVJSATBQE-ATVHPVEESA-N 329.403 3.685 50 40 EHGB COc1ccc(Cl)cc1C(=O)N/N=C1/CCCc2ccccc21 32579197 PCGQKCUQAUFKPI-SILNSSARSA-N 328.799 3.819 50 40 EHGB Cc1n[nH]c(C)c1/C=C(\C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 40114073 TZOZZTMLJNJIDR-XCVCLJGOSA-N 335.194 3.879 50 40 EHGB Cn1cccc1C(=O)N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21 84321697 HIIBRHVOUHKWAG-KTXUMSRNSA-N 345.402 3.683 50 40 EHGB N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(O)cc1 409374901 BFWVGJYWYPZIPF-WQLSENKSSA-N 332.281 3.957 50 40 EHGB CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)C(C#N)=C(N)O2 479995 JERSNIAHVSINMB-SFHVURJKSA-N 342.402 3.653 50 40 EHGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc1 5712732 PWJJJFABFKHCJT-FOWTUZBSSA-N 336.391 3.948 50 40 EHGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1c(O)ccc2ccccc12 14003056 XZRVBXQAPXMIHQ-CIAFOILYSA-N 338.794 3.892 50 40 EHGB C#CCOc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OC 33797360 JTYIYABBXYDPMI-YBEGLDIGSA-N 334.331 3.680 50 40 EHGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 100230644 IHXGFANIUKFPRF-KZGGJNJNSA-N 335.791 3.525 50 40 EHGB CCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)NCc1ccccc1 409108929 YWNTTXFKWPWSQH-YBEGLDIGSA-N 340.810 3.962 50 40 EHGB N#CC1=C(SCc2ccccc2F)NC(=O)C[C@@H]1c1ccco1 409131091 NATUVVGQURFEEA-LBPRGKRZSA-N 328.368 3.691 50 40 EHGB Cc1ccc(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1C 59093 BRFYTSXWHBAALG-WSDLNYQXSA-N 348.402 3.691 50 40 EHGB O=C(N/N=C/c1cccs1)c1ccc(NC(=O)c2ccccc2)cc1 262852 ISHRPEAYVQOFNO-DEDYPNTBSA-N 349.415 3.764 50 40 EHGB O=C(CI)Oc1ccc(-c2ccccc2)cc1 1621400 KOSIHVMIIKTIQO-UHFFFAOYSA-N 338.144 3.694 50 40 EHGB O=C(Oc1ccccc1)Oc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1737508 UCYYAMUWHLLTME-UHFFFAOYSA-N 338.659 3.734 50 40 EHGB C[C@H](NC1CCCCC1)C(=O)NN=C(c1ccccc1)c1ccccc1 4650798 RKMCCWUZWZLIOF-KRWDZBQOSA-N 349.478 3.866 50 40 EHGB Cc1noc(C)c1CCC(=O)NNc1ccnc2cc(Cl)ccc12 9117662 VASBUYJWTGDILG-UHFFFAOYSA-N 344.802 3.569 50 40 EHGB CCc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)NC2CCCCC2)cc1 20212505 IAVSLRNYSAKJDH-SFQUDFHCSA-N 348.450 3.995 50 40 EHGB C/C(=N\NC(=O)CNc1ccc(Cl)cc1)c1ccc(C)c(C)c1 409366887 ZZXXBCUBKVOJLE-KGENOOAVSA-N 329.831 3.909 50 40 EHGB C/C(=N/NC(=O)CSc1nc2ccccc2o1)c1cccs1 523511 KHORKPJIUVDDSE-YVLHZVERSA-N 331.422 3.522 50 40 EHGB N[C@H](CSSC[C@@H](N)Cc1ccccc1)Cc1ccccc1 1635083 HMGPKVXXJNKEBR-ROUUACIJSA-N 332.538 3.508 50 40 EHGB C/C(=N\NC(=O)c1ccc(C)cc1Cl)c1cccc([N+](=O)[O-])c1 13842634 UNORWFXGGCRPMW-WOJGMQOQSA-N 331.759 3.711 50 40 EHGB COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1 16736007 PQFIMJHRTUWGCQ-UKTHLTGXSA-N 342.782 3.903 50 40 EHGB Cc1cc(C(=O)NNc2ncccn2)c(C)n1-c1cccc(C(C)C)c1 48326692 IVWLPQBVXLHFLQ-UHFFFAOYSA-N 349.438 3.764 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cccc(C)c23)cc1O 97152329 FSBDRYCQTQSXRZ-RIYZIHGNSA-N 332.359 3.980 50 40 EHGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCC(=O)O 222396909 HKIBYAOLDQQSFY-LICLKQGHSA-N 337.375 3.921 50 40 EHGB CCn1c(C)cc(/C=N/NC(=O)c2ccccc2Br)c1C 409075894 YYWFOXLXBSZCOD-VCHYOVAHSA-N 348.244 3.651 50 40 EHGB N#C/C(=C/c1cc(Cl)ccc1O)C(=O)NCCCc1ccccc1 409228480 ZBVQFERAKYGYSF-WJDWOHSUSA-N 340.810 3.702 50 40 EHGB O=C(NNC(=O)c1ccccc1Cl)Nc1ccc(F)c(Cl)c1 1754278 OPRLNJARCSAGDZ-UHFFFAOYSA-N 342.157 3.599 50 40 EHGB CC(C)(C)OC(=O)N/N=C(\CC(=O)c1cccs1)C(F)(F)F 4906930 MBRWQETWSAHZCX-LICLKQGHSA-N 336.335 3.764 50 40 EHGB Cc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)s1 5075301 CGMLZKYUYHXVSI-GFCCVEGCSA-N 340.433 3.726 50 40 EHGB CCCCC(=O)N/N=C(\C)c1cccc(NC(=O)c2ccco2)c1 5792164 BUGGCLUUTAAOHL-DEDYPNTBSA-N 327.384 3.562 50 40 EHGB COc1ccccc1C(=O)/C(C#N)=C\c1ccc(O[C@@H](C)C#N)cc1 103250448 DCQXDPHIJBOPLE-HNDQUVLASA-N 332.359 3.776 50 40 EHGB CC(C)(C)c1ccc(-c2nc3cc(C(=O)NN)cc(Cl)c3[nH]2)cc1 216922946 QANZJVNNJFZRIU-UHFFFAOYSA-N 342.830 3.784 50 40 EHGB CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)OC)cc2C)o1 409112541 DIFVGAVFNKDNRS-GXDHUFHOSA-N 339.347 3.512 50 40 EHGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(OC)c2)cc1 1319674 WQBPDOZNJFLQBQ-NWGMWSOJSA-N 340.423 3.738 50 40 EHGB CN(C(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1)c1ccccc1 5523858 JROYTGGKIADGJL-SDNWHVSQSA-N 328.318 3.858 50 40 EHGB N#C/C(=C\c1c(F)cccc1Cl)c1nc2ccccc2c(=O)[nH]1 9357310 IFZWZSKDPNFQBV-CSKARUKUSA-N 325.730 3.780 50 40 EHGB Cn1cc(C(=O)N/N=C\c2c(O)ccc3ccccc23)c2ccccc21 33330568 FSCCIOCGRXLRCZ-UUYOSTAYSA-N 343.386 3.801 50 40 EHGB O=C(CCCC[C@@H]1CCSS1)NCCn1cnc2ccccc21 79489836 VJTDRROBRMNLQI-CQSZACIVSA-N 349.525 3.867 50 40 EHGB CCCOc1ccc(C(=O)N/N=C(\C)c2cc(C)c(O)c(C)c2)cc1 216068757 DHFIRWBTNUECCX-RCCKNPSSSA-N 340.423 3.952 50 40 EHGB CNC(=O)/C(C#N)=C\c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(C)C 223557676 BWSQRZPLYRZXRA-CIKBWMHTSA-N 325.456 3.840 50 40 EHGB C/C(=N\NC(=O)CCC(=O)Nc1ccc(C)c(C)c1)c1cccs1 4525820 JBUDVKOTMSTOTR-XSFVSMFZSA-N 343.452 3.624 50 40 EHGB CC(C)Oc1ccccc1/C=N\NC(=O)COc1ccccc1Cl 4544308 SHHHPSBMKRBWDA-JAIQZWGSSA-N 346.814 3.656 50 40 EHGB CC[N+](C)(CC)CCN(C(=O)c1ccccc1)N(C)c1ccccc1 5469269 JGUYDDMFNKWFJC-UHFFFAOYSA-N 340.491 3.667 50 40 EHGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OC 6537678 SMWKZJQUEJCXSP-HCIRMPLMSA-N 342.439 3.696 50 40 EHGB Cc1c(/C=N\NC(=O)c2cc3ccccc3o2)c2ccccc2n1C 12364011 WRYXRSROJWQAAR-MTJSOVHGSA-N 331.375 3.997 50 40 EHGB O=C(N/N=C/C=C/c1ccccc1)c1cccc(Br)c1 1956525 LWWAKCSHQRUUFN-OKSYWBHRSA-N 329.197 3.878 50 40 EHGB CCOC(=O)N(N=O)c1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2 4995256 GNFACBAXNLKPJV-UHFFFAOYSA-N 327.296 3.810 50 40 EHGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1OC 6959571 HDXUNLGPKJTPKW-RGVLZGJSSA-N 346.814 3.820 50 40 EHGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(OC)c1OC 33724871 VQOFTFPAOMKPIC-ZSOIEALJSA-N 349.390 3.961 50 40 EHGB C/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1cccc([N+](=O)[O-])c1 57615338 PWCBKAGJQLWRNP-FYJGNVAPSA-N 348.362 3.605 50 40 EHGB C/C(=N\NC(=O)Cc1ccc2c(c1)OCO2)c1cccc2ccccc12 409182415 LXIVGEAPWXNSPT-HYARGMPZSA-N 346.386 3.651 50 40 EHGB COc1ccc2ccccc2c1/C=N/NC(=O)CCc1ccccc1 5514549 WEGVGEGATJBRTF-PXLXIMEGSA-N 332.403 3.931 50 40 EHGB O=C(CCCCl)NC(=S)Nc1nc2ccc(Cl)cc2s1 6884117 BPJCMOCIHXRTGV-UHFFFAOYSA-N 348.280 3.782 50 40 EHGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1 7930306 OPQGPJKECSJCGD-PXLXIMEGSA-N 328.371 3.616 50 40 EHGB O=C(/C=C/NNC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 59488940 TWRFKDCLRGFNAO-CMDGGOBGSA-N 335.190 3.624 50 40 EHGB Cc1ccc(Cl)c(C(=O)[C@H](Br)CBr)c1 307099275 RRUKZTNLTIIOMK-MRVPVSSYSA-N 340.442 3.990 50 40 EHGB C=CCSC1=C(C#N)[C@H](c2ccc(Br)cc2)CC(=O)N1 2362118 NYWMADUUOGTAEP-LBPRGKRZSA-N 349.253 3.707 50 40 EHGB CCCCOc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 4903572 XXTRSOZFOKGRDX-SFHVURJKSA-N 338.407 3.680 50 40 EHGB C/C(=N\NC(=O)CNc1ccc(Cl)cc1)c1ccc(Cl)cc1 6317109 JPPVGEIQBAXSTF-RGVLZGJSSA-N 336.222 3.946 50 40 EHGB COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2CCc2ccccc23)cc1 33796305 YGUAZIKHQTWLPE-IBGZPJMESA-N 330.387 3.860 50 40 EHGB O=C(N/N=C\c1ccccc1)c1ccc2c(c1)CN(c1ccccc1)C2 83323616 NARPSELWQDIZPH-UCQKPKSFSA-N 341.414 3.971 50 40 EHGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OC)c1O 216944685 PPNZDYATZWDBAW-GZTJUZNOSA-N 348.402 3.983 50 40 EHGB COc1ccc(OC)c(/C=N/NC(=O)c2ccc3ccccc3c2)c1 253574820 TWXURRZOFUEQDS-FYJGNVAPSA-N 334.375 3.621 50 40 EHGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C#N)cc3)o2)cc1 409024065 SZWRQBPSSLIDBN-LPYMAVHISA-N 345.358 3.591 50 40 EHGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(F)cc2)cc1 1319495 VMAJOOSAVKEAEK-STCDJXRXSA-N 328.387 3.868 50 40 EHGB Cc1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)s1 4735363 FYXSKNRLLNPRFU-CXUHLZMHSA-N 337.242 3.512 50 40 EHGB COc1ccc(/C=C(\C#N)c2nnc(-c3ccccc3)n2C)cc1OC 66408200 JWFLFIWGMOFPAZ-LFIBNONCSA-N 346.390 3.563 50 40 EHGB Cn1cccc1CC(=O)N/N=C\c1ccc(-c2ccc(Cl)cc2)o1 71335820 WWVCCNSARUYVTF-NDENLUEZSA-N 341.798 3.631 50 40 EHGB N#CC1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1ccc([N+](=O)[O-])cc1 584822 WPTSSFYTMONOHD-GOSISDBHSA-N 343.342 3.966 50 40 EHGB CCN1C(=O)[C@@](c2ccccc2)(C(Cl)Cl)C(=O)c2ccccc21 4114562 PBYPSLGDBGUXTI-GOSISDBHSA-N 348.229 3.978 50 40 EHGB CC1=CC[C@@H](/C=N/NC(=O)CC[C@@H]2CCCCC23OCCO3)CC1 5163785 OAHAUAFWAVEJIZ-KPAXAXFTSA-N 334.460 3.548 50 40 EHGB CC1=C(C#N)[C@H](c2ccc(Br)cc2)C2=C(CCCC2=O)N1 19805600 ZWZQDTWAJBYOBK-INIZCTEOSA-N 343.224 3.941 50 40 EHGB O=C(CCCC[C@H]1CCSS1)NCc1nc2ccccc2[nH]1 41948301 MBYXPDHBERPQLA-LBPRGKRZSA-N 335.498 3.893 50 40 EHGB O=C(NN=C(c1ccccc1)c1ccccc1)c1ccc2c(c1)COC2 64379189 APRUXIOJTGJSHU-UHFFFAOYSA-N 342.398 3.899 50 40 EHGB CC1=C(C=O)C[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CCC1=CC(=O)O[C@@H]1O 257499123 NZIQEPLIKSMSRT-DJKGFLTMSA-N 332.440 3.546 50 40 EHGB biogenic,in-vitro O=C(c1ccc(Cl)cc1F)[C@H](Br)CBr 306564798 XAEGNUHXEOBPHY-SSDOTTSWSA-N 344.405 3.820 50 40 EHGB C[C@H](Cl)C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 4079129 CVFYPMXXIVSLOL-ITOAGHBLSA-N 325.865 3.572 50 40 EHGB Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2cccc3ccccc23)c1 13922912 JMNQUMIRQBZUJJ-LPYMAVHISA-N 345.402 3.545 50 40 EHGB CC(C)[C@@H](C(=O)N/N=C/c1ccccn1)c1ccc(OC(F)F)cc1 97257 KDXXDKGYBJFYOS-CNPYVQQSSA-N 347.365 3.573 50 40 EHGB O=C(NNC(=O)C(c1ccccc1)c1ccccc1)C1CCCCC1 357480 AKOFMJZJSNJBLV-UHFFFAOYSA-N 336.435 3.546 50 40 EHGB N#CC1=C(N2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)CC2=C1CCCCC2 509343 MJDSUSKSMGMFIX-HUUCEWRRSA-N 342.826 3.946 50 40 EHGB CN1NC(c2ccccc2)=C(C#N)C(=O)C[C@@H]1c1ccccc1Cl 1620233 DJWNNNLYEYOYQT-QGZVFWFLSA-N 337.810 3.725 50 40 EHGB CCCCCCCCNC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1 3308099 RNDMUMLLPXFDMD-DTQAZKPQSA-N 329.400 3.978 50 40 EHGB Cc1c([C@H]2[C@H](CCNC(=O)CCl)C2(C)C)c2ccccc2n1C 3999917 RTTGLJZTWRWRMY-KBXCAEBGSA-N 332.875 3.971 50 40 EHGB biogenic C[C@@H](/C=N/NC(=O)c1ccccc1Br)c1ccccc1 4143202 VIXSGKWVFYIHRF-HWQJWEFDSA-N 331.213 3.968 50 40 EHGB C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc(Br)cc1 5621120 ZNYOPNVRMSHIBU-VCHYOVAHSA-N 335.176 3.742 50 40 EHGB CCOc1cccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 6950093 RNGULLZEIUZJMI-NTEUORMPSA-N 337.335 3.539 50 40 EHGB C/C(=N\NC(N)=O)c1ccc(-c2ccc(Br)cc2)s1 7276186 LNKKGHROCOYQEI-LZYBPNLTSA-N 338.230 3.570 50 40 EHGB CCc1cc(SC#N)cc(C)c1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 8752301 ZCWXJEIYQFMJLJ-CABCVRRESA-N 344.436 3.736 50 40 EHGB C#CCOc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OC 13451706 WFBYFNBVYBZLFC-RVDMUPIBSA-N 329.359 3.648 50 40 EHGB Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1cccc(Cl)c1Cl 28216559 ZKTZUYJRUMYJKS-AWQFTUOYSA-N 349.221 3.765 50 40 EHGB CSc1ccc(/C=N\NC(=O)CNc2c(C)cccc2C)cc1 30738365 LHXCOBFDJOGLPE-JAIQZWGSSA-N 327.453 3.588 50 40 EHGB C[C@@H](Sc1nncs1)C(=O)/C(C#N)=C1/Nc2ccccc2S1 104858022 PCICQYBNUUKMPK-MZTZJWPHSA-N 346.462 3.541 50 40 EHGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 113834333 IOGUWRXDHGAKLD-XFXZXTDPSA-N 326.308 3.633 50 40 EHGB CCOC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OCC)c1 4501914 VJZHWOGENFIKLK-DEDYPNTBSA-N 342.395 3.744 50 40 EHGB C=CCOc1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1 59502741 NOQWIAHQMCAAEH-DEDYPNTBSA-N 340.448 3.635 50 40 EHGB COc1ccc(/C=C/C(=O)Cl)cc1OCc1ccc([N+](=O)[O-])cc1 217705870 OGXAIDFDXGMACA-WEVVVXLNSA-N 347.754 3.961 50 40 EHGB O=C1C=C(NNC(=O)c2ccc(Cl)cc2)C[C@H](c2ccccc2)C1 1091155 WYRGXWWCEDMLLM-HNNXBMFYSA-N 340.810 3.605 50 40 EHGB C/C(=N\NC(=O)c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1O 105457285 IREZZMCFXDBPFO-UFWORHAWSA-N 341.169 3.992 50 40 EHGB O=C(NNc1c(F)c(F)c(F)c(F)c1F)c1ccccc1Cl 12973937 SEFKYNHZKIGWET-UHFFFAOYSA-N 336.647 3.792 50 40 EHGB CCOC(=O)N/N=C\c1ccc(-c2ccc(Br)cc2)o1 4702534 MIEVKTPUGDXZEJ-SXGWCWSVSA-N 337.173 3.789 50 40 EHGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Cl 408792961 CJUVGEKJQDTPOG-RVDMUPIBSA-N 336.778 3.898 50 40 EHGB Cc1c(C(=O)N/N=C/c2c(O)ccc3ccccc23)cccc1[N+](=O)[O-] 408776891 RSHNIDIJTVDGLN-RGVLZGJSSA-N 349.346 3.526 50 40 EHGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1O 408800343 MHYMEAKSVWEHJZ-MDWZMJQESA-N 342.782 3.908 50 40 EHGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccccc2OCC#N)cc1 408565956 COGJBNMLCXBXHI-HZHRSRAPSA-N 349.434 3.579 50 40 EHGB COc1ccc(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 585373 ZNNQWXNUDCDWFA-VXLYETTFSA-N 337.206 3.695 50 40 EHGB Cc1ccc(C(=O)N/N=C/c2ccc(OC(C)C)cc2OC(C)C)o1 583050 HHPAVHVDAJBWOZ-RGVLZGJSSA-N 344.411 3.926 50 40 EHGB CCOP(=O)(OCC)/C(C#N)=C\c1cc(OC)ccc1OC 13139317 GDSIIGNRQHKXOD-UVTDQMKNSA-N 325.301 3.834 50 40 EHGB C[C@@H](CN(C)C)C(/C=C\c1ccccc1)=N\NC(=O)c1ccccc1 17175035 MJYLOPMYSPGXGO-HKDAAGMHSA-N 335.451 3.684 50 40 EHGB CN(C)c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 222949 ZOBRBDKFZGQZPR-VXLYETTFSA-N 336.222 3.823 50 40 EHGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2C)c(OC)c1 565865 RZGAWEYSFDSQDF-KGENOOAVSA-N 339.439 3.614 50 40 EHGB O=C(CCCC[C@H]1CCSS1)NCc1ccc2c(c1)OCO2 27337257 VNUQWUUALQODGY-ZDUSSCGKSA-N 339.482 3.746 50 40 EHGB biogenic O=C(N/N=C\c1ccccc1)[C@H](Oc1ccccc1)c1ccccc1 31670135 MHHWUHZTOXRQSE-SUNMQZQPSA-N 330.387 3.957 50 40 EHGB O=C(N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21)c1cccnc1 33581521 QBHBTIYFDZZHPR-SEDGDDRASA-N 343.386 3.740 50 40 EHGB CC1=C[C@@H](C)[C@H]2CO[C@H](c3ccccc3)[C@H]1[C@@H]2COC(=O)CCl 100740612 WDVFWRCDJREHFA-RFKJWAKASA-N 334.843 3.985 50 40 EHGB biogenic C=CCn1c(-c2ccccc2)cs/c1=N\NC(=O)c1ccccc1 100841029 HDMYSYOIHHPHGM-VZCXRCSSSA-N 335.432 3.648 50 40 EHGB COc1ccccc1/C=C1/C(=O)OC(=O)/C1=C\c1ccccc1Cl 104259572 IEJCFPVKJKXDLI-YCRUPXPOSA-N 340.762 3.899 50 40 EHGB C/C(CC[C@H]1[C@@](C)(O)CC[C@H]2C(C)(C)CCC[C@]21C)=N/NC(N)=O 105306209 YPWULSVTTBGBFG-BZDSMGQQSA-N 337.508 3.804 50 40 EHGB CCOC(=O)c1cn(CCCCl)c2cc(Cl)c(F)cc2c1=O 199805082 VHCSTUZNUFMLKX-UHFFFAOYSA-N 346.185 3.600 50 40 EHGB CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccc(F)cc1 265014 VWDNJZORXWESDI-QGZVFWFLSA-N 347.349 3.659 50 40 EHGB Cc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl 493339 XSMSEWOSCLNYCO-DJKKODMXSA-N 337.206 3.831 50 40 EHGB Cc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(C)c1O 7889823 UKBHLBPPQXRWJI-FYJGNVAPSA-N 333.391 3.564 50 40 EHGB CCc1cc(SC#N)cc(C)c1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 8752312 ZCWXJEIYQFMJLJ-LSDHHAIUSA-N 344.436 3.736 50 40 EHGB C/C(=N\NC(=O)c1[nH]nc2c1CCC2)c1ccc(-c2ccccc2)cc1 9015479 IFHZTSNALLTVEQ-HYARGMPZSA-N 344.418 3.719 50 40 EHGB CC(C)c1ccc([C@H]2Nc3nc4ccccc4n3C(N)=C2C#N)cc1 20086185 UNSKEBIXFKRSHU-GOSISDBHSA-N 329.407 3.977 50 40 EHGB CCCOc1ccccc1/C=N/NC(=O)c1ccc(OCC)cc1 26123901 SIABFGOIRXOOAT-XSFVSMFZSA-N 326.396 3.638 50 40 EHGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OC 207838606 YJOJSIOYWSRQSP-WJDWOHSUSA-N 336.391 3.948 50 40 EHGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)cc2C)cc1 408744187 JKVGRRYTTXTZPO-VBKFSLOCSA-N 336.391 3.948 50 40 EHGB O=C(N/N=C/c1ccc(Br)cc1)[C@H]1C[C@@H]1c1ccccc1 1009426 QJJWMBOQPFQCPQ-PPDJXAKQSA-N 343.224 3.703 50 40 EHGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)C[C@H](C)O3)c1 2435094 DSEXMRLNRVGMFB-RKPNYOAGSA-N 334.375 3.564 50 40 EHGB Cc1noc(C)c1CC(=O)NNc1c(Cl)cc(Cl)cc1Cl 24068660 YAPIDCAEOPPSET-UHFFFAOYSA-N 348.617 3.937 50 40 EHGB O=C(NNc1ccc(OC(F)(F)F)cc1)Nc1ccc(F)cc1 32860271 XIXZKBYCJJFXSR-UHFFFAOYSA-N 329.253 3.873 50 40 EHGB CCOc1ccc(/C(C)=N/NC(=O)[C@@H](C)Sc2ccccn2)cc1 188560 OUTZGCWQPFYGNT-GNUZOCDUSA-N 343.452 3.501 50 40 EHGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(Cl)cc1 311998 FITCCMQZVFOFMK-GIJQJNRQSA-N 345.811 3.724 50 40 EHGB O=C(Nc1ccccc1)[C@@H](Br)c1ccc([N+](=O)[O-])cc1 39475079 DKZKOVACZHEURE-ZDUSSCGKSA-N 335.157 3.670 50 40 EHGB C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2c(C)nn(C)c2Cl)c1C 54302687 RHXCXKDNVMSVKX-NTEUORMPSA-N 342.830 3.776 50 40 EHGB Cc1cc(C)nc(NNC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1 54910852 HNDMHHHQOAODQM-UHFFFAOYSA-N 349.438 3.566 50 40 EHGB CC(C)(C)OC(=O)n1nc(CBr)c2cc(F)ccc21 80443835 LRSRYKHAOOIREJ-UHFFFAOYSA-N 329.169 3.854 50 40 EHGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(Br)cc1 409380448 DPJBSLLJQYMHQG-ZROIWOOFSA-N 344.212 3.545 50 40 EHGB CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccccc1 380397 VVUQQMAVWOGTHB-PXLXIMEGSA-N 332.403 3.931 50 40 EHGB O=C(O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1Br 1712180 HYAYFCQYLQCRPU-SSHXOBKSSA-N 329.193 3.742 50 40 EHGB C=CCc1ccccc1OCC(=O)C(C#N)=C1Nc2ccccc2N1 5685790 VVIBVQXQAAWELL-UHFFFAOYSA-N 331.375 3.636 50 40 EHGB CCC[C@H](Br)C(=O)Nc1nc2ccc(F)cc2s1 20132597 BONVELXEUSYIJA-QMMMGPOBSA-N 331.210 3.938 50 40 EHGB CCCOc1ccc(C(=O)N/N=C/c2ccccc2OCC)cc1 20197235 BCKRYXFZDBTQJI-XSFVSMFZSA-N 326.396 3.638 50 40 EHGB O=C(CCCC[C@@H]1CCSS1)N1[C@H]2CC[C@H]1c1cncnc1C2 1521772613 ARTJIFIBNNDKPE-ZENOOKHLSA-N 349.525 3.779 50 40 EHGB N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)NCc1cccnc1 289190 NZXILJCQTPBLBM-KPKJPENVSA-N 332.190 3.612 50 40 EHGB COc1ccc(N/C=C(\C#N)c2nc3ccccc3n2C)c(OC)c1 530739 LUQYKMRXHKXPKT-OUKQBFOZSA-N 334.379 3.567 50 40 EHGB Cc1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 584645 OSSRPALPNYCRJG-DJKKODMXSA-N 337.206 3.831 50 40 EHGB Cc1cc(C)cc(CN(CCBr)CCBr)c1 1631295 VPNXLZHGHYXSGB-UHFFFAOYSA-N 349.110 3.895 50 40 EHGB COc1ccc(C(=O)NNc2nc3c(C)cc(C)cc3s2)cc1 4121445 SPFFAURMLRFFMY-UHFFFAOYSA-N 327.409 3.679 50 40 EHGB Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 5490733 PAPSIBGMVXJASP-KRWDZBQOSA-N 342.402 3.912 50 40 EHGB Cc1ccccc1C(=O)Nc1ccc(NC(=O)CBr)cc1 35605386 PBQKRVPOIOHTJL-UHFFFAOYSA-N 347.212 3.581 50 40 EHGB COc1cccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 59472989 SFCJWKJMFNCWCC-MKFNJMOCSA-N 348.855 3.980 50 40 EHGB CCO[C@](C)(CC)C(=O)Nc1ccc(OCCBr)cc1 225649962 WJXVAWNSYCZFQC-OAHLLOKOSA-N 344.249 3.604 50 40 EHGB CC/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 408865028 AQENUXZULFGROV-HMMYKYKNSA-N 346.814 3.901 50 40 EHGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(F)cc1 4953588 ZZFJUPPEPWQINK-UKTHLTGXSA-N 325.299 3.588 50 40 EHGB Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1cccc(F)c1 6571363 XQUHKCCSBVZKMW-WSDLNYQXSA-N 343.377 3.637 50 40 EHGB O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(N2CCCC2)cc1 7384287 XUNCRJZRMPCSMV-HYARGMPZSA-N 332.407 3.532 50 40 EHGB Cc1ccn2c(C(=O)N/N=C\c3c(F)cccc3Cl)c(C)nc2c1 59444808 MZIORIRXKXXSLZ-UKWGHVSLSA-N 344.777 3.508 50 40 EHGB COc1ccc(CSCC(=O)N/N=C/c2ccc(Cl)cc2)cc1 59503543 LMWGWAKTCBJFKL-VXLYETTFSA-N 348.855 3.732 50 40 EHGB Cc1c(/C=N\NC(=O)c2ccc(Cl)cc2)c2ccccc2n1C 195752155 CNGVECQPYYWWKK-JAIQZWGSSA-N 325.799 3.904 50 40 EHGB CCOC(=O)COc1ccc(/C=C(/C#N)c2cccc(C#N)c2)cc1 408566124 DIXTYVYEIAZBRI-ZDLGFXPLSA-N 332.359 3.564 50 40 EHGB O=C(N/N=C/c1ccc(-c2ccccc2Cl)o1)c1ccncc1 256274 PSIUHCRUOJPTTE-RGVLZGJSSA-N 325.755 3.759 50 40 EHGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)OCCCl 2669521 WQVAMNSZUQBWIO-FMIVXFBMSA-N 346.726 3.544 50 40 EHGB C#CCn1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c2ccccc21 302742 MASMRRYCGUFAJD-DTQAZKPQSA-N 325.371 3.820 50 40 EHGB Clc1ccc(CNCCI)cc1Cl 1621652 RPRZWAPXJBITAQ-UHFFFAOYSA-N 329.996 3.518 50 40 EHGB CC(C)OC(=O)c1c(NC(=O)CCl)sc2c1CC[C@@H](C)C2 3252715 NBJWJGJVEILOQF-SECBINFHSA-N 329.849 3.615 50 40 EHGB COc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1O 23410829 GTQIAWJJKRFPGP-NTUHNPAUSA-N 342.782 3.908 50 40 EHGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(N2CCCCC2)cc1 35713506 OXVYKZBYDPGUSR-JCMHNJIXSA-N 339.414 3.509 50 40 EHGB COc1ccc(CSCC(=O)N/N=C(\C)c2ccc(C)cc2)cc1 59473117 MAIFLVKFKPGERB-HMMYKYKNSA-N 342.464 3.777 50 40 EHGB Cc1cc(C)cc(O[C@@H](C)C(=O)N/N=C/c2ccc(Cl)cc2)c1 93940 OIRLXQYPHSURRP-HXJASHHUSA-N 330.815 3.874 50 40 EHGB O=S(=O)(c1cccc(N=C=S)c1)c1cccc(N=C=S)c1 1725949 ATUCPLJJYLRXIH-UHFFFAOYSA-N 332.431 3.988 50 40 EHGB CC[C@H](Nc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1C 2750331 NEBSQDLONQYJLK-RONKMWSCSA-N 329.831 3.989 50 40 EHGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1sccc1C 4525673 BOOLPPGJZOBGQD-YRNVUSSQSA-N 343.364 3.519 50 40 EHGB O=S1(=O)CC2[C@@H](c3ccccc3)C([C@@H]2c2ccccc2)[C@H]1Cl 4533017 TUXHSCPCLFNSMG-TVLITYMTSA-N 332.852 3.793 50 40 EHGB Cc1ccccc1C(=O)N/N=C/c1ccc(-c2ccccc2C#N)o1 9201009 AFARPGFWWVLGRZ-LPYMAVHISA-N 329.359 3.891 50 40 EHGB Cc1oc(-c2ccc(I)cc2)nc1CCl 199561135 XDNVQCMFJOOLRU-UHFFFAOYSA-N 333.556 3.993 50 40 EHGB O=C(Cc1ccccc1)c1ccccc1C(=O)NNc1ccccc1 1691527 MDIZWFWCCPGPMA-UHFFFAOYSA-N 330.387 3.869 50 40 EHGB Cc1cc(C)cc(O[C@H](C)C(=O)NN=Cc2ccc(Cl)cc2)c1 9082783 OIRLXQYPHSURRP-CQSZACIVSA-N 330.815 3.874 50 40 EHGB CCOc1ccc(C(=O)N/N=C(\C)c2ccc(OCC)cc2)cc1 6047934 KXPNURNSUJELHI-XSFVSMFZSA-N 326.396 3.638 50 40 EHGB CCOc1ccc(CC(=O)N/N=C/c2cn(CC)c3ccccc23)cc1 10315682 TXSRDLCKSVRSOV-HYARGMPZSA-N 349.434 3.753 50 40 EHGB O=C(CSc1ccccc1)NNc1ccccc1C(F)(F)F 68773024 FEZOJBBLQFJTKV-UHFFFAOYSA-N 326.343 3.941 50 40 EHGB Cc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc1[N+](=O)[O-] 408720227 WGXAAMFJQNYWEJ-VBEHJTROSA-N 343.408 3.534 50 40 EHGB CCCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)CC)cc1OC 408806920 CDNSQCOCPGBXKH-LUYJPIOASA-N 330.428 3.696 50 40 EHGB COc1cc(/C=N/NC(C)=O)ccc1OCc1ccc2ccccc2c1 409015748 SBLBUEVCXHZQKC-LPYMAVHISA-N 348.402 3.897 50 40 EHGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1OCC 409184873 IJCFJHNFQYVRED-KGENOOAVSA-N 338.407 3.722 50 40 EHGB N#CC(Nc1cccc(C(F)(F)F)c1)=C1C(=O)c2ccccc2C1=O 148241 NLPAZNZSCPECCC-UHFFFAOYSA-N 342.276 3.974 50 40 EHGB O=C(NNc1nc2ccc(F)cc2s1)c1nc2ccccc2s1 251170 MCDHFXCJQKSZFJ-UHFFFAOYSA-N 344.396 3.802 50 40 EHGB CCCSC1=C(C#N)[C@@H](c2ccccc2C)[C@@H](C(=O)OC)C(O)=N1 2476050 FCGYZQQVQOIDPU-HUUCEWRRSA-N 344.436 3.716 50 40 EHGB O=C(N/N=C/c1c[nH]c2ccccc12)c1ccccc1Br 3154294 XVYMDYCZKIEZNC-VXLYETTFSA-N 342.196 3.694 50 40 EHGB COc1cc(Cl)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1O 4696733 PFXRJDCHOPPDJQ-IZZDOVSWSA-N 325.755 3.995 50 40 EHGB COc1ccc(C(=O)Cn2c(NCCCl)nc3ccccc32)cc1 4725904 GJQYQXCWPXIFAT-UHFFFAOYSA-N 343.814 3.579 50 40 EHGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccccn1 408742741 SLCUTJWSCQZISQ-YDZHTSKRSA-N 349.365 3.564 50 40 EHGB COc1ccccc1/C=N/NC(=O)CSc1ccc(Cl)cc1 343092 XXCFBPLTFVZJHF-VCHYOVAHSA-N 334.828 3.591 50 40 EHGB Cc1ccc(OCC(=O)N/N=C/c2cccc3ccccc23)c(C)c1 3023362 GRNGDOUHXXNWAG-LPYMAVHISA-N 332.403 3.986 50 40 EHGB Cc1cc(N2CCC[C@H](Br)C2=O)ccc1Br 70060844 LQMSWAGYZLICPN-NSHDSACASA-N 347.050 3.648 50 40 EHGB in-vitro N#CCC[C@@H]1CCCC/C1=N\NC(=O)CSCc1ccccc1 408719461 PKKGXLUBCZOQSZ-TXCMAPRMSA-N 329.469 3.886 50 40 EHGB C#CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1cccc(C)c1 408799973 MFQVIYMMWSYQQR-SFQUDFHCSA-N 346.386 3.561 50 40 EHGB C#CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)c1 408935173 HDJVONPSRDKESG-AQTBWJFISA-N 330.387 3.807 50 40 EHGB N#Cc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c(F)c1 408968273 VCWSPYIELWWIFM-DNTJNYDQSA-N 336.153 3.768 50 40 EHGB N#C/C(=C/c1ccc(-c2ccc(C#N)cc2)o1)C(=O)NC1CCCC1 409187616 AAQBJGSPBOBJLK-WJDWOHSUSA-N 331.375 3.784 50 40 EHGB O[C@H](CCl)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 4184897 SAWXQKXPDUZEMM-SNVBAGLBSA-N 348.777 3.854 50 40 EHGB O=C(N/N=C/c1c[nH]c2ccccc12)c1cccc(C(F)(F)F)c1 6243780 LBFCOZWFIQDAFS-LSHDLFTRSA-N 331.297 3.951 50 40 EHGB C/C=C1/C[N+]2(CCC)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 24978712 NNGQLOSIKGOGJJ-PYZHBXIRSA-O 335.471 3.782 50 40 EHGB Fc1ccc(/N=c2/scc(CCl)n2C[C@@H]2CCCO2)cc1 100388163 NOUFGXVQCWTQNK-ZWPWWNDZSA-N 326.824 3.839 50 40 EHGB O=C(N/N=C/c1ccc(N2CCCC2)cc1)c1ccccc1Cl 408960244 KDDMBMVYUJBYEO-DEDYPNTBSA-N 327.815 3.704 50 40 EHGB O=C(CNc1ccccc1)NN=C1c2ccccc2-c2ccccc21 6297460 POTUXKNJFYMYPP-UHFFFAOYSA-N 327.387 3.648 50 40 EHGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OC 59335408 CBEVYMHBFQFOSV-WJDWOHSUSA-N 336.391 3.948 50 40 EHGB O=C1OC(=O)[C@@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]12 68571814 GFTXOYOWCPVIJK-WOUAJJJCSA-N 328.367 3.620 50 40 EHGB CC(=O)O[C@@H](/C(O)=C(\C#N)c1nc2ccccc2[nH]1)c1ccccc1 101766137 DVHVYQLERBXDRF-HGLWPWQMSA-N 333.347 3.660 50 40 EHGB N#C/C(=C/c1cc(Cl)cc(Cl)c1O)C(=O)NCc1ccccc1 408748189 ZTSNMVJYKKLCQK-MLPAPPSSSA-N 347.201 3.922 50 40 EHGB CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1 8846136 XAKXQLJJEMGOAW-LJQANCHMSA-N 335.407 3.666 50 40 EHGB COc1ccc(O)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1 12591278 IJUDYWZMZKWDJO-XYOKQWHBSA-N 328.755 3.600 50 40 EHGB N#C/C(=C\c1ccc(Cl)s1)C(=O)Nc1ccccc1C(=O)O 14178930 FSJNTYPWDMYDSN-VQHVLOKHSA-N 332.768 3.645 50 40 EHGB COc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1 33348049 IVKIWENBGYGZLA-KQWNVCNZSA-N 344.414 3.977 50 40 EHGB Cc1cc(C)nc(NNC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)n1 40080040 XGJDBKLQVFECCI-UHFFFAOYSA-N 349.438 3.601 50 40 EHGB COc1ccc(S(=O)(=O)/C(C#N)=C/Nc2cccc(Cl)c2)cc1 102700782 BHPDNBNLDWBPLC-LFIBNONCSA-N 348.811 3.599 50 40 EHGB NNC(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 226332704 YILLGNYNRVMLOE-XBXARRHUSA-N 337.206 3.576 50 40 EHGB O=C(c1ccccc1Cl)[C@H](Br)CBr 306512135 OXDWIBRTDAIWLC-SSDOTTSWSA-N 326.415 3.681 50 40 EHGB O=C(N/N=C/c1cccc(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2o1 408961284 MFQWRKOXPJERTP-GIJQJNRQSA-N 343.726 3.758 50 40 EHGB O=[N+]([O-])c1ccc(C(Br)c2ccc([N+](=O)[O-])cc2)cc1 1673101 DSTCKYXFMAENQF-UHFFFAOYSA-N 337.129 3.987 50 40 EHGB O=C(Cc1ccc2ccccc2c1)NNC(=O)c1cc2ccccc2o1 53604923 TXTOKJLZBNRVHT-UHFFFAOYSA-N 344.370 3.590 50 40 EHGB O=C(CCl)N(Cc1ccncc1)c1cccc(C(F)(F)F)c1 199755386 CNLFURRIVJAYQH-UHFFFAOYSA-N 328.721 3.872 50 40 EHGB N#Cc1ccc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c(F)c1 408968759 YRUQOZXDATWWFI-DNTJNYDQSA-N 336.153 3.768 50 40 EHGB N#C/C(=C/c1cccn1-c1ccc(F)cc1)C(=O)Nc1ccc(O)cc1 33765464 IKMQLWVHSVQYPH-OWBHPGMISA-N 347.349 3.868 50 40 EHGB Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1ccc(C(C)(C)C)cc1 59140296 PCDSEXJISGEQBE-LPYMAVHISA-N 336.439 3.755 50 40 EHGB CCCOc1ccc(C(=O)N/N=C(\C)c2cc(C)ccc2OC)cc1 216067768 UYYVKSDUVBGWNV-RCCKNPSSSA-N 340.423 3.946 50 40 EHGB COc1ccc(/C=N/NC(=O)/C=C/c2ccc(Cl)cc2)c(OC)c1 409060813 WEOCHMLXAAGWFI-XWISFQRESA-N 344.798 3.521 50 40 EHGB CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 408853742 XNAKQVMCICSPSG-GXDHUFHOSA-N 340.354 3.779 50 40 EHGB N#Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(F)cc3)o2)cc1 571838 PYZISRWDVIOUAA-WSDLNYQXSA-N 333.322 3.721 50 40 EHGB NNC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccc1 1392022 MMZZTTTWXJQDOG-UHFFFAOYSA-N 337.326 3.586 50 40 EHGB O=[N+]([O-])c1ccc(N/N=C2\c3ccccc3[C@@H]2Cl)c([N+](=O)[O-])c1 4273568 ZVJYYXUDNBIUBA-CQQXOOPHSA-N 332.703 3.613 50 40 EHGB CCN(CC)C(=O)/C(C#N)=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4839197 MQQOHLPADJJHQD-KAMYIIQDSA-N 339.351 3.630 50 40 EHGB CN1/C(=C\C=N\NC(=O)c2cccs2)C(C)(C)c2ccccc21 6369933 PBGYCTCLTVKPNY-WJEOPBEZSA-N 325.437 3.775 50 40 EHGB CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)c1 8846183 BFODZWGDOXOIOX-LJQANCHMSA-N 335.407 3.666 50 40 EHGB CC/C(=N\NC(=O)c1ccc(C)cc1)c1ccc(OC)c(OC)c1 138300482 SLDHENULSBMLES-CAPFRKAQSA-N 326.396 3.556 50 40 EHGB CCCC[C@@H](C(=O)NN)N1c2cc(C)c(C)cc2[C@@H](C)CC1(C)C 223230017 PJYISFIADJDPHZ-RDJZCZTQSA-N 331.504 3.944 50 40 EHGB Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)cc2)c1 408987845 ZBEAXSUEHAZGRZ-SFQUDFHCSA-N 331.375 3.752 50 40 EHGB Cc1cccc(C)c1N[C@H](C)C(=O)N/N=C/c1c[nH]c2ccccc12 3073646 WFDIHXSEPFIFFS-HJGVYBFFSA-N 334.423 3.735 50 40 EHGB O=C(N/N=C/c1ccc(Cl)s1)c1cc(-c2ccccc2)n[nH]1 5635460 XRNAHWPQPMTWHN-RQZCQDPDSA-N 330.800 3.556 50 40 EHGB CC(=O)NNc1nc(-c2cc(C)n(-c3ccc(C)cc3)c2C)cs1 8133546 ZRNJWRRNBIBLAO-UHFFFAOYSA-N 340.452 3.989 50 40 EHGB CCOc1cc(/C=N/NC(C)=O)ccc1OCc1ccccc1Cl 58822646 JTCUIYLTHXKAPI-RGVLZGJSSA-N 346.814 3.788 50 40 EHGB N#CC1=C(SCc2cccc(F)c2)NC(=O)C[C@@H]1c1ccco1 409136775 ZLAQKATUBKXCHT-ZDUSSCGKSA-N 328.368 3.691 50 40 EHGB CCOC(=O)/C(C#N)=C\c1ccc(N2CCC(c3ccccc3)=N2)cc1 34780101 FPCLHPBPNQDAHG-JXAWBTAJSA-N 345.402 3.771 50 40 EHGB Cc1ccc(C(=O)NNC(=O)N[C@H](CC(C)C)c2ccccc2)cc1 29327475 VGUUHIVOMFBPSH-GOSISDBHSA-N 339.439 3.726 50 40 EHGB Cc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)s1 107859395 XEKWWBAUHPDVSH-LZYBPNLTSA-N 345.405 3.943 50 40 EHGB C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 4306492 QODBGVPQLWXHRB-XEEJTXMPSA-N 337.335 3.857 50 40 EHGB COc1cccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)c1 33322871 OMPHKUHZRORRGL-KQWNVCNZSA-N 344.414 3.977 50 40 EHGB O=C(NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 95872 RACBOMBYVVLGIG-UHFFFAOYSA-N 334.350 3.568 50 40 EHGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(C(C)(C)C)s1 339821 SEIAXICJMJROAE-HNNXBMFYSA-N 346.452 3.690 50 40 EHGB Cc1ccc(NC(=S)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1 1440135 VSCWBXNHGSUKDI-UHFFFAOYSA-N 341.480 3.924 50 40 EHGB O=C(O)[C@H](c1ccccc1)[C@@H](Br)C(=O)c1ccccc1 1728089 VSFAAALQHJSSNQ-ZIAGYGMSSA-N 333.181 3.501 50 40 EHGB CC[C@@H](Nc1cccc2ccccc12)C(=O)N/N=C/c1ccncc1 2744595 SBCZTPJBNQKMGB-SDLXJUDFSA-N 332.407 3.576 50 40 EHGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2cc(C)ccc2O)cc1 4827689 FPGZPNAEPMLSBD-OFNOZLENSA-N 340.423 3.743 50 40 EHGB C[C@H]1CCC/C(=N\NC(=O)CCCC(=O)N/N=C2\CCC[C@H](C)C2)C1 5696651 NQUULCIGSMBGFH-VNTSDDTCSA-N 348.491 3.521 50 40 EHGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1OC 566012 FDKBFYASZATSBL-JLHYYAGUSA-N 342.782 3.903 50 40 EHGB N#CC1=C(N)n2c(nc3ccccc32)N[C@H]1c1c(F)cccc1Cl 20086239 IMSGRNJDUIHJDW-OAHLLOKOSA-N 339.761 3.646 50 40 EHGB C[C@]12CC[C@@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CCC[C@]2(O)C#N 104212129 XHDBQDNRWFJOBU-XLXGLBAESA-N 329.484 3.955 50 40 EHGB COc1cccc(/C=N\NC(=O)Nc2ccc(F)cc2)c1OC(C)C 409010045 BBGXPZXZPTUKEY-JAIQZWGSSA-N 345.374 3.777 50 40 EHGB O=C(c1ccccc1)[C@@H](Br)[C@@H](C(=O)O)c1ccccc1 1728086 VSFAAALQHJSSNQ-KBPBESRZSA-N 333.181 3.501 50 40 EHGB C/C(CC(C)C)=N\NC(=O)COc1ccc(Br)cc1C 4679262 VITZYCXOYGLVEH-SFQUDFHCSA-N 341.249 3.675 50 40 EHGB CN(C)c1ccc(C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1 5393715 DNZJKTULGFHOSZ-SRZZPIQSSA-N 335.329 3.535 50 40 EHGB ClC[C@@H](Cl)COC[C@H]1CO[C@@H](c2ccc(Cl)cc2)O1 6225765 CKAGUBYMMHRUIZ-FRRDWIJNSA-N 325.619 3.617 50 40 EHGB N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)NCCc1ccccc1 60694076 PISKRIZDRQPZIY-OBGWFSINSA-N 349.434 3.536 50 40 EHGB Cc1[nH]c2ccccc2c1/C=C(/C#N)C(=O)Nc1cccc(C(=O)O)c1 408542871 LLOXDWYXYQYWIU-UVTDQMKNSA-N 345.358 3.720 50 40 EHGB O=C(NCCc1ccccn1)[C@H]1Cc2ccccc2[C@@H]1C(Cl)Cl 159174 PRAQTXISVZPZDQ-HOTGVXAUSA-N 349.261 3.500 50 40 EHGB C/C(=N/NC(=O)Cc1cccn1C)c1ccc(-c2ccccc2)cc1 4934013 NSGNDMODGLVURW-JWGURIENSA-N 331.419 3.775 50 40 EHGB O=C(c1ccc(Cl)c(F)c1)[C@H](Br)CBr 306913344 PAKPJOLGPCOOEM-ZCFIWIBFSA-N 344.405 3.820 50 40 EHGB Cc1oc(/C=N/NC(=O)c2cccc(Cl)c2)cc1Br 408863250 QOGFKMBONAGEGZ-FRKPEAEDSA-N 341.592 3.768 50 40 EHGB Cc1cc(C=C(C#N)C#N)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 4688379 CVYNKACTXXPVSD-UHFFFAOYSA-N 325.755 3.876 50 40 EHGB N#C/C(=C\c1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 5546051 SCLRTHRSWYKIIJ-RMKNXTFCSA-N 333.756 3.855 50 40 EHGB COc1ccc(OC)c(/C=N/NC(=O)CCCCc2cccs2)c1 2728131 NLMPXSARHVHNJC-CPNJWEJPSA-N 346.452 3.628 50 40 EHGB CCOc1ccc(NC(=O)c2ccccc2NC(=O)CCl)cc1 3372894 OUEIRTRIHBUSLC-UHFFFAOYSA-N 332.787 3.515 50 40 EHGB CCCCC(=O)N/N=C(\C)CC(=O)Nc1cccc2c1CCCC2 4691370 JRYUPHNNYVPRQD-KGENOOAVSA-N 329.444 3.576 50 40 EHGB CCCOc1cccc(/C=N/NC(=O)Cc2ccc(OCC)cc2)c1 10475955 VFUGJRZGBFQCIU-RCCKNPSSSA-N 340.423 3.567 50 40 EHGB O=C(N/N=C/c1cccc(OC2CSC2)c1)c1ccc(Cl)cc1 408875862 LTCUCBVURJOGGP-DJKKODMXSA-N 346.839 3.598 50 40 EHGB CCN(CC)c1ccc(/C=N/NC(=O)CCSc2ccccc2)o1 408996231 LREGROIBMRGDDH-XMHGGMMESA-N 345.468 3.758 50 40 EHGB NC(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 478852 WUZDCZGVAOUWOZ-UFWORHAWSA-N 338.194 3.575 50 40 EHGB CCOC(=O)c1c(NC(=O)[C@H](Cl)CC)sc2c1CCCC2 495667 HYOCYZKRHFTIJY-SNVBAGLBSA-N 329.849 3.760 50 40 EHGB C[C@@H]1CCC/C(=N\NC(=O)CCCC(=O)N/N=C2\CCC[C@@H](C)C2)C1 5662472 NQUULCIGSMBGFH-WAFBFKIUSA-N 348.491 3.521 50 40 EHGB Cc1ccc(NC(=O)C(=O)NN=C2CCC(c3ccccc3)CC2)cc1 8026015 POXWJYYSXWWLAJ-UHFFFAOYSA-N 349.434 3.764 50 40 EHGB N#Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc(F)c3)o2)cc1 409024935 ZMEOVMQVVYDVEU-WSDLNYQXSA-N 333.322 3.721 50 40 EHGB Cc1ccc(S(=O)(=O)/C(C#N)=C/C2=Cc3ccccc3OC2)cc1 133177 BJSSLTWRIWRNHL-WOJGMQOQSA-N 337.400 3.652 50 40 EHGB O=S(=O)(O[C@@H]1C[C@H]2c3ccccc3[C@@H]1[C@@H]2Cl)c1ccccc1 1712186 GTVHFIWBHNQNCG-VVLHAWIVSA-N 334.824 3.653 50 40 EHGB O=C(N/N=C/c1c[nH]c2ccccc12)c1ccccc1-n1cccc1 3524907 QZWQHLWAFKESIK-HYARGMPZSA-N 328.375 3.723 50 40 EHGB C[C@H](/C=N/NC(=O)c1cccc(Br)c1)c1ccccc1 5356906 JDWXHWQVTMWSCT-MBNTZHJCSA-N 331.213 3.968 50 40 EHGB C/C(=N/NC(=O)CCc1ccccc1)c1ccc(NC(=O)C2CC2)cc1 5380989 DBNTWNWRUOTTML-HAHDFKILSA-N 349.434 3.508 50 40 EHGB COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)c(OC)c1 5526749 PAELHWAYXNYQDJ-FYJGNVAPSA-N 334.375 3.621 50 40 EHGB CCOc1ccc(CC(=O)N/N=C/c2c(C)[nH]c3ccccc23)cc1 10475849 DHZSZMWCFJVTKB-FYJGNVAPSA-N 335.407 3.568 50 40 EHGB Cc1ccccc1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12 13425336 VTYMAPAONCTSGI-PDGQHHTCSA-N 329.403 3.742 50 40 EHGB CCCCc1ccc(-c2csc(N/C(C)=C(/C#N)C(N)=O)n2)cc1 105145384 SCKUKZDZVAVOHS-QINSGFPZSA-N 340.452 3.847 50 40 EHGB NNC(=O)c1ccc(OCc2cccc3ccccc23)c(Cl)c1 226325434 RYYPJJKAHBDNDI-UHFFFAOYSA-N 326.783 3.676 50 40 EHGB COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 408795944 WQUWRXMFFSRPDR-XYOKQWHBSA-N 328.755 3.600 50 40 EHGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc2c(cc1Cl)OCO2 408797544 GPGVMOUIRBBPTI-RSKNOSGTSA-N 346.814 3.671 50 40 EHGB C#CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c1 408934238 DESPLXLZIGXZQG-PDGQHHTCSA-N 330.387 3.861 50 40 EHGB CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 2490649 VNJQJPORORMYHM-IBGZPJMESA-N 336.391 3.789 50 40 EHGB Cc1ccc(NC(=O)C(=O)NN=C2CCC(C(C)(C)C)CC2)cc1C 59435589 CXBWAHSOOYZPFS-UHFFFAOYSA-N 343.471 3.950 50 40 EHGB NNC(=O)c1ccc2[nH]c(-c3cccc4c(Cl)cccc34)nc2c1 226236710 HRCUFMIWTVIPAX-UHFFFAOYSA-N 336.782 3.640 50 40 EHGB COc1ccc2ccc(OC)c(/C=N\NC(=O)Cc3ccccc3)c2c1 409007896 RLCWWJTZQMUFTQ-HMAPJEAMSA-N 348.402 3.550 50 40 EHGB COCCn1c(C)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1C 8334237 KGTOTWOIMKPDAP-BOPFTXTBSA-N 325.368 3.724 50 40 EHGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NC(C)C)cc1Cl 408782230 FXVGCPQFWOFPCZ-SDQBBNPISA-N 339.222 3.990 50 40 EHGB COc1cc(C)ccc1C(=O)N/N=C/c1cccn1-c1ccccc1 408853036 YDUQBXGBDNALLW-KGENOOAVSA-N 333.391 3.558 50 40 EHGB Cc1c(/C=N/NC(N)=O)c2ccccc2n1Cc1ccccc1Cl 409383932 PRUUMFANPAPCJG-UFFVCSGVSA-N 340.814 3.654 50 40 EHGB O=C(CBr)c1ccc(OC(F)F)cc1C(F)(F)F 604221828 WPMQXAFPQUWAAZ-UHFFFAOYSA-N 333.050 3.884 50 40 EHGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1 1078974 KSPQTNDNRMHMQE-FMIVXFBMSA-N 327.727 3.794 50 40 EHGB Cc1cc(N/C=C(\C#N)S(=O)(=O)C(C)(C)C)c2ccccc2n1 5361748 QWDGHMITZRRHTI-ACCUITESSA-N 329.425 3.533 50 40 EHGB CCCc1cc(C(=O)N/N=C\c2ccccc2OC)c2ccccc2n1 5700924 CWHKFNBEUJZWIR-HMAPJEAMSA-N 347.418 3.960 50 40 EHGB CCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(N)cc1 13371688 NKVATAGQQJGZTF-XKZIYDEJSA-N 333.391 3.585 50 40 EHGB COc1ccc(C2=NN(C(=O)CCl)[C@@H](c3cccc(C)c3)C2)cc1 89669338 RAMWTAWAHVFYDD-GOSISDBHSA-N 342.826 3.920 50 40 EHGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Cl)C(N)=O 408889003 AOGQQLOUIPNWOA-NTUHNPAUSA-N 347.201 3.965 50 40 EHGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccccc1OC 409099724 SZRZRTDVZODCSR-YBFXNURJSA-N 332.787 3.511 50 40 EHGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nn1c(C)ccc1C 409388685 VOTAQJJMAGCWPN-SFQUDFHCSA-N 345.402 3.944 50 40 EHGB CC(/C=C/C=C/c1ccccc1)=N\NC(=O)COc1ccccc1C#N 5370077 VJPYVJBTKSHGRK-IERYJKLUSA-N 345.402 3.699 50 40 EHGB COc1ccc(S(=O)(=O)/C(C#N)=C/Nc2ccccc2Cl)cc1 6754653 CYKKMIYDRDDDLC-SDNWHVSQSA-N 348.811 3.599 50 40 EHGB O=C(NNc1ccc(F)cc1Br)Nc1ccccc1F 12822335 RPPARSYPYKDTIT-UHFFFAOYSA-N 342.143 3.876 50 40 EHGB Cc1cc(C(=O)N/N=C/c2cc(/N=N/c3ccccc3)ccc2O)[nH]n1 15974305 MYRZXWUXBILNBB-ZUBIIHIGSA-N 348.366 3.603 50 40 EHGB COc1cccc(C(=O)N/N=C\c2ccc(C)c(Br)c2)c1 32138830 GMLDDUZQOMFENV-ZDLGFXPLSA-N 347.212 3.530 50 40 EHGB C[C@H]1CN(C(=O)/C(C#N)=C\c2c(Cl)cccc2Cl)C[C@H](C)O1 40152408 ZRHOMLQOBJXPDV-MMURARSESA-N 339.222 3.536 50 40 EHGB Clc1cc(I)cc(CBr)c1 97436573 SSCONICDGVAQHJ-UHFFFAOYSA-N 331.378 3.840 50 40 EHGB CC1=C[C@H](C)[C@H]2CO[C@H](c3ccccc3)[C@H]1[C@@H]2COC(=O)CCl 100740613 WDVFWRCDJREHFA-BVBGPBQDSA-N 334.843 3.985 50 40 EHGB biogenic CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCC(C)C 192556873 KLXLLEPEQCZKRP-GZTJUZNOSA-N 342.439 3.649 50 40 EHGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)c1 408741401 LQPXZGYQVYAYHI-NTEUORMPSA-N 337.335 3.539 50 40 EHGB CC(C)(C)C1CCC(=NNC(=O)C(=O)Nc2ccccc2Cl)CC1 59434393 YCSCWPVFQQECIK-UHFFFAOYSA-N 349.862 3.987 50 40 EHGB Cc1cccc(COc2ccc(/C=C(\C#N)C(N)=O)cc2Cl)c1 408864940 ADSRMUFRDXRMRC-OVCLIPMQSA-N 326.783 3.620 50 40 EHGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(Cl)cc2)cc1 46705686 BMZDDPNVIBQOBW-GDNBJRDFSA-N 326.783 3.572 50 40 EHGB COC(=O)/C(C#N)=C\c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 252482999 DSAGLMHGURZVBB-WQLSENKSSA-N 326.308 3.552 50 40 EHGB Clc1cccc(CBr)c1I 116705794 QCKLJUORAPBOKS-UHFFFAOYSA-N 331.378 3.840 50 40 EHGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)O)cc1 5766038 KNGPEBRHSVVWTC-UKTHLTGXSA-N 326.739 3.584 50 40 EHGB Cc1[nH]c2ccccc2c1CC(=O)N/N=C1/C=C(O)CC(C)(C)C1 102032026 OFPVBUKTUYFYQU-BKUYFWCQSA-N 325.412 3.753 50 40 EHGB C[C@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 4306509 BSMZMZKBWJEIPS-ZJYAJDOYSA-N 337.335 3.857 50 40 EHGB CCCOc1ccc(C(=O)N/N=C/c2cn(C)c3ccccc23)cc1 20197537 QPCIDJWFHSCQLQ-FYJGNVAPSA-N 335.407 3.731 50 40 EHGB C[C@@]12CC3CC(C(=O)N/N=C/c4ccccc4O)(C1)C[C@@](C)(C3)C2 100448346 VBAOGHBXBHEQQZ-QMTWBPGVSA-N 326.440 3.839 50 40 EHGB CCSS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 532625 YWMIUPOZBQQHJD-UHFFFAOYSA-N 336.438 3.772 50 40 EHGB C/C(=N/NC(=O)CNc1c(C)cccc1C)c1ccc(Cl)cc1 4077042 KKADRSIPUFOAOW-STZFKDTASA-N 329.831 3.909 50 40 EHGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1O 206060504 OIYIVQAKBSQUJT-QPEQYQDCSA-N 342.782 3.908 50 40 EHGB Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1N1CCOCC1 408544108 USRXCEFFOVEHOI-UYRXBGFRSA-N 348.402 3.594 50 40 EHGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1 408799588 ZZNOQPQZRVQJQO-NBVRZTHBSA-N 330.387 3.807 50 40 EHGB COc1cc(C)c(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1OC 409051362 LFZKGIFVRWTKMY-KEBDBYFISA-N 346.814 3.738 50 40 EHGB COc1ccccc1/C=N/NC(=O)[C@@H](C)Sc1ccc(C)cc1 409112618 FFZRVYSKGLPYRX-ONDHQXCVSA-N 328.437 3.635 50 40 EHGB C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1Cl 93691 SZGKDDFPNZWKOH-VSMYLPJWSA-N 337.206 3.911 50 40 EHGB C[C@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)o1 4888773 MWWRPKZSVLGNLZ-XNBKRRRXSA-N 336.347 3.647 50 40 EHGB CCOc1cc2c(cc1/C=C(/C#N)c1cccc([N+](=O)[O-])c1)OCO2 6207438 AZFDIPJYNCTLBT-NSIKDUERSA-N 338.319 3.786 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(OC)c1 28356563 XNOKPYBECAXEBM-UKTHLTGXSA-N 342.782 3.903 50 40 EHGB O=C(N/N=C\c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 33297314 XIUHNGQHUUYFQY-IUXPMGMMSA-N 338.150 3.666 50 40 EHGB O=C(N/N=C/c1ccco1)c1ccc2c(c1)CN(c1ccccc1)C2 58872000 FZIJRCVYYREEOP-CIAFOILYSA-N 331.375 3.564 50 40 EHGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NCc1ccccc1)[C@@H]2Br 100868541 ZPRZTROVUOVYNM-COXVUDFISA-N 336.273 3.893 50 40 EHGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1Cl 409019625 ZZPYNKWXHYPHPG-DQAKUKQTSA-N 346.814 3.987 50 40 EHGB CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@](CO)(OO)C3 2332242401 OIWDBCFCWVUPFM-IGVOXGPPSA-N 336.472 3.819 50 40 EHGB CCn1c(C)nc2cc(C(=O)N/N=C/c3ccccc3Cl)ccc21 3196728 PYQKROKPAKVUIA-RGVLZGJSSA-N 340.814 3.782 50 40 EHGB N#C/C(=C\C=C\c1ccco1)C(=O)NCCc1c[nH]c2ccccc12 4672720 JPTICTSSTDWDTK-WXHIQSIWSA-N 331.375 3.583 50 40 EHGB CC/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 5384976 PFZBSMZZXQBNTA-LVZFUZTISA-N 329.831 3.950 50 40 EHGB COc1ccccc1OCC(=O)N/N=C/c1ccc(C(C)(C)C)cc1 5632520 ALPUKUDRGOGHGC-FYJGNVAPSA-N 340.423 3.522 50 40 EHGB CCOC(=O)N/N=C\c1cc(Cc2ccccc2Cl)ccc1O 30738617 SMMVVSYHCXSCJU-ODLFYWEKSA-N 332.787 3.716 50 40 EHGB CCCC[C@H](C(=O)NN)N1c2ccc(Cl)cc2[C@@H](C)CC1(C)C 223229671 NZTNSIGOGHSBDF-BLLLJJGKSA-N 337.895 3.981 50 40 EHGB CC1=C(C(=O)OC(C)(C)C)[C@H](c2cccs2)C(C#N)=C(S)N1 495438 BLGSLHFFXHEZOR-ZDUSSCGKSA-N 334.466 3.716 50 40 EHGB C[C@H](CC(=O)[C@H]1[C@H](C)C=CCC1(C)C)NNC(=O)c1ccccc1 4548340 VMCBOPPLRJUNNR-IIDMSEBBSA-N 328.456 3.507 50 40 EHGB COc1ccc(OC)c(/C=N/NC(=O)/C=C/c2ccc(Cl)cc2)c1 9094791 RMPIIDBLELODNF-XWISFQRESA-N 344.798 3.521 50 40 EHGB CCOc1ccccc1NC(=O)NNC(=O)c1ccc2ccccc2c1 15934092 ZHDBPWAFXLBDPO-UHFFFAOYSA-N 349.390 3.705 50 40 EHGB COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(OC)c1O 23402716 UIXYSPPKFOEZKO-QPEQYQDCSA-N 335.363 3.658 50 40 EHGB O=C(N/N=C\c1cccn1-c1cccc(C(F)(F)F)c1)c1ccco1 408943759 YUXKMZKTWAPCDG-NHDPSOOVSA-N 347.296 3.853 50 40 EHGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(C(C)(C)C)s1 3091073 SEIAXICJMJROAE-OAHLLOKOSA-N 346.452 3.690 50 40 EHGB Cc1ccccc1OCC(=O)N/N=C/c1ccccc1C(F)(F)F 14018278 UKCHXOXSIFTAKM-UFFVCSGVSA-N 336.313 3.543 50 40 EHGB O=C(NN(Cc1ccccc1)c1ccccc1)[C@@H]1Cc2ccccc2O1 32255809 HJKPETRKNMZUPW-NRFANRHFSA-N 344.414 3.728 50 40 EHGB Cc1cccc2[nH]cc(C(=O)/C(C#N)=C\c3ccc(C(=O)O)cc3)c12 97152347 CCEOLCASAOZTNZ-DHDCSXOGSA-N 330.343 3.964 50 40 EHGB N#C/C(=C/c1ccc(N2CCOCC2)cc1)c1nc2ccc(F)cc2[nH]1 408570536 WMGPRLCMYQNORY-PTNGSMBKSA-N 348.381 3.603 50 40 EHGB CC(C)/C(=N\NC(=O)CNc1ccc(Cl)cc1)c1ccccc1 408692156 FSAAZIWXFBEMNE-RELWKKBWSA-N 329.831 3.928 50 40 EHGB CC(=O)N/N=C/c1cccc(OCCCOc2cc(C)ccc2C)c1 4591852 IKBLTXWIYKYGGH-KGENOOAVSA-N 340.423 3.621 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)c(O)c1 4815561 GWPCOZLCFKOBCQ-VXLYETTFSA-N 332.787 3.517 50 40 EHGB CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Cl)c1 13586166 LYLHRCBYRAGXGM-KRWDZBQOSA-N 325.799 3.624 50 40 EHGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2C)c1 408744121 YTQNVEQNSIXUOH-LFIBNONCSA-N 336.391 3.948 50 40 EHGB Cc1ccc(-c2n[nH]c3c2[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 5095233 DMGGDCKJNQRWPH-MRXNPFEDSA-N 346.365 3.742 50 40 EHGB CCOC(=O)/C(C#N)=C1\CCCCC[C@H]1C(SC)=C(C#N)C#N 59662352 YCJPDEUWPSETJA-SXWSKBOKSA-N 329.425 3.614 50 40 EHGB CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(CC)cn1 353126 NVFHUIHVRXWZQG-OEAKJJBVSA-N 347.418 3.960 50 40 EHGB O=C(NNC(=S)Nc1ccccc1)c1ccc(-c2ccccc2)cc1 357897 HBACDLZXDREILB-UHFFFAOYSA-N 347.443 3.985 50 40 EHGB Fc1ccc(/N=c2\scc(CCl)n2C[C@@H]2CCCO2)cc1 4206221 NOUFGXVQCWTQNK-JZYMCLRRSA-N 326.824 3.839 50 40 EHGB in-vitro CCCCCC[C@H]1/C(=N/NC(=O)c2ccccc2)CC[C@H]1C(=O)OC 13777419 BATQKXRPAFSNEO-HSLLHTKSSA-N 344.455 3.942 50 40 EHGB CCOC(=O)c1c(NC(=O)N/N=C\CC(C)C)sc2c1CCC2 15222393 DYWNTVOKUOAKEY-MFOYZWKCSA-N 337.445 3.567 50 40 EHGB CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1 59515252 UKLUKKRHPCCHIF-CIAFOILYSA-N 341.386 3.574 50 40 EHGB COc1ccc(C2=NN(C(=O)CCl)[C@H](c3cccc(C)c3)C2)cc1 89669336 RAMWTAWAHVFYDD-SFHVURJKSA-N 342.826 3.920 50 40 EHGB N#C/C(=C/c1ccccc1O)C(=O)Nc1cccc(Br)c1 96476261 DTLLWKDNCJBBGE-WQLSENKSSA-N 343.180 3.700 50 40 EHGB C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)CNc2ccccc2OC)C1 100007368 LCNFAOVEZAENHQ-OSGFXRFRSA-N 327.428 3.512 50 40 EHGB Cc1c(C(=O)NN)c2ccccc2n1Cc1cccc2ccccc12 216947548 JRCGKHYHAWTMOL-UHFFFAOYSA-N 329.403 3.755 50 40 EHGB O=C(N/N=C/c1ccc(N2CCCC2)cc1F)c1ccc(Cl)cc1 1105556 CLKHKUHLQORTAJ-CIAFOILYSA-N 345.805 3.843 50 40 EHGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])cc2)cc1 5907200 QVAFWSJDVYMOCM-KAMYIIQDSA-N 337.335 3.539 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)c(OCC)c1 6961747 DBTNJOOAPQXJNB-UDWIEESQSA-N 346.814 3.901 50 40 EHGB N#CC1=C(N)Oc2ccccc2[C@@H]1c1ccc(Br)cc1 7516552 QXXQFKFFZWTARZ-HNNXBMFYSA-N 327.181 3.667 50 40 EHGB COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)c(OC)c1 42645489 UCIBDXZZXAHRNY-FYJGNVAPSA-N 334.375 3.621 50 40 EHGB C[C@H](CO)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100470146 NZJYHCOZZGZOLX-LJQANCHMSA-N 335.407 3.609 50 40 EHGB Cc1cccc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)c1 408789126 JNLJUTBKLZLOAU-RGVLZGJSSA-N 326.465 3.995 50 40 EHGB O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1cccc(Cl)c1 409095479 HWSOAIADNDIAGU-CIAFOILYSA-N 345.805 3.843 50 40 EHGB O=C(CNc1ccccc1)N/N=C/c1ccc(-c2ccc(F)cc2)o1 1107716 VSKGCQXERCTPSW-WSDLNYQXSA-N 337.354 3.648 50 40 EHGB O=C(NC(=O)C(Cl)Cl)Nc1cccc2c1Cc1ccccc1-2 1722518 JQHQPTMAFUPICL-UHFFFAOYSA-N 335.190 3.710 50 40 EHGB CCC/C(CC)=N\NC(=O)CNc1cccc(Br)c1 6646098 YENGGYKGVCOGHP-ATVHPVEESA-N 326.238 3.543 50 40 EHGB O=C(NNc1nncc2ccccc12)Nc1cccc2ccccc12 6942748 BGIHBXZEZMASSY-UHFFFAOYSA-N 329.363 3.932 50 40 EHGB O=C(N/N=C/c1ccc(Cl)s1)c1ccc(N2CCCC2)cc1 7385705 OLNGLQPDAAWGIM-WOJGMQOQSA-N 333.844 3.766 50 40 EHGB O=C(NNc1ccc(OC(F)(F)F)cc1)Nc1ccccc1F 12845224 ADFBZKPUCBDPCE-UHFFFAOYSA-N 329.253 3.873 50 40 EHGB CC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 13739336 IQEXWFSUJMYLIC-CQSZACIVSA-N 338.354 3.920 50 40 EHGB N#C/C(=C\c1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)O)cc1 14177839 JNYFQDWXSCJTLF-JXMROGBWSA-N 332.768 3.645 50 40 EHGB O=C(N/N=C\c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 17024010 KWIKGAAXPCUUIH-IUXPMGMMSA-N 338.150 3.666 50 40 EHGB C/C(=N\NC(=O)c1cccc(Br)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100063077 CXZXCGNXJUJTER-ZODPHOCJSA-N 335.245 3.991 50 40 EHGB COc1cccc(-c2nc3cc(NC(=O)CSC#N)ccc3o2)c1 216856080 TTWZWRPHFUDFPV-UHFFFAOYSA-N 339.376 3.656 50 40 EHGB CCCCc1ccc(-n2c(C)cc(/C=N/NC(=O)CC#N)c2C)cc1 2053879 WDAYBKDUOVAGCN-HYARGMPZSA-N 336.439 3.801 50 40 EHGB N#C/C(=C\c1c[nH]nc1-c1ccccc1)C(=O)NC1CCCCCC1 2769099 YGPVBGBYYMWESK-FOWTUZBSSA-N 334.423 3.823 50 40 EHGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(OCCC)cc2)cc1 20197850 LPVIZNARWDZTDU-RCCKNPSSSA-N 338.407 3.804 50 40 EHGB CC/C(=N\NC(=O)c1cccc(Cl)c1)c1ccc(OC)c(OC)c1 45330406 DDTZWHKLMTUAGE-HMMYKYKNSA-N 346.814 3.901 50 40 EHGB CC(C)(C)n1nc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1C1CC1 101748772 INVFXAVHGSYIKT-UHFFFAOYSA-N 329.356 3.643 50 40 EHGB NNC(=O)CCc1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 216925069 HTUDSDHWADHZKJ-UHFFFAOYSA-N 333.602 3.829 50 40 EHGB CCn1c(C)cc(/C=N/NC(=O)Cc2cccc3ccccc23)c1C 409063347 ADZANSNVNJMLAE-HYARGMPZSA-N 333.435 3.971 50 40 EHGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 409116010 LFOPHAGJZUHHSO-OOWUWCJESA-N 341.480 3.692 50 40 EHGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccnc2)cc1Cl 409145963 SSKLLSFEDCDLSW-MDWZMJQESA-N 327.771 3.679 50 40 EHGB Cn1c(=O)n(C)c2cc(/C=C(/C#N)c3nc4ccccc4s3)ccc21 4525435 AOGSVNDXYOENHC-LCYFTJDESA-N 346.415 3.551 50 40 EHGB CCCC[C@@H](Br)C(=O)Nc1cc(C)c2c(c1)OCCO2 5298599 KTARSMVHUZSGEG-GFCCVEGCSA-N 342.233 3.658 50 40 EHGB C=CCCCCCCCCC(=O)N/N=C1/C(=O)Nc2ccccc21 5789309 AFYXICIQLGFXSO-UHFFFAOYSA-N 327.428 3.766 50 40 EHGB COc1cc(/C=C(\C#N)C(=O)c2sccc2C)cc(OC)c1O 44028451 GEJOCOLHDWPPFW-WUXMJOGZSA-N 329.377 3.569 50 40 EHGB C[C@@H]1CN(c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)C[C@@H](C)O1 4134676 GBWJTTGKDHSPMT-OMZQKGCKSA-N 348.406 3.834 50 40 EHGB CCC[C@H](Br)C(=O)Nc1nc2ccc(OC)cc2s1 20132704 ALGMPJXIBGAKEL-VIFPVBQESA-N 343.246 3.807 50 40 EHGB Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)C(=O)NC1CCCCC1 23217388 ZKKFAMVETORYHN-GHRIWEEISA-N 348.450 3.845 50 40 EHGB O=C(N/N=C1\CCSc2ccc(F)cc21)c1c[nH]c2ccccc12 38566455 HUWHKIBURAHIKI-LTGZKZEYSA-N 339.395 3.937 50 40 EHGB FC(F)(F)C[C@@H](I)C(F)(F)C(F)(F)F 103528750 FTLAVGQICOCXCL-UWTATZPHSA-N 341.967 3.940 50 40 EHGB Cc1ccccc1C(=O)c1c(NC(=O)CCl)sc2c1CCC2 13999046 QYZNBYUYYFAAFG-UHFFFAOYSA-N 333.840 3.954 50 40 EHGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)c(O)c1 96453436 HGYIWPCZFQYSFB-VBKFSLOCSA-N 335.407 3.784 50 40 EHGB FC(F)(F)C[C@H](I)C(F)(F)C(F)(F)F 103528747 FTLAVGQICOCXCL-REOHCLBHSA-N 341.967 3.940 50 40 EHGB N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 209995734 IMJSHQGHABTNEQ-WQLSENKSSA-N 327.727 3.794 50 40 EHGB C=CCn1cc(/C=N/NC(=O)c2ccccc2OC)c2ccccc21 409368218 PTQXDFGDGNTTQV-FYJGNVAPSA-N 333.391 3.600 50 40 EHGB C/C(=N\NC(=O)CCSc1ccccc1)c1cccc([N+](=O)[O-])c1 59473764 FZYYTGGREQIYCX-QGOAFFKASA-N 343.408 3.617 50 40 EHGB CC(=O)N/N=C/c1cc(C)n(-c2ccc(Br)c(C)c2)c1C 409013100 SRBYTRPNHZJNLU-GIJQJNRQSA-N 348.244 3.635 50 40 EHGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(C(C)C)cc2)c1 581656 VULTYDQAAFMIRC-UDWIEESQSA-N 326.396 3.591 50 40 EHGB CCOc1ccccc1/C=N\NC(=O)COc1ccc(Cl)cc1C 32705929 NGQOJKOXRHUIPL-JAIQZWGSSA-N 346.814 3.576 50 40 EHGB COc1ccc2[nH]cc(C(=O)/C(C#N)=C/c3cccc(C#N)c3)c2c1 44026871 MNVHIIQOVLXEGK-OVCLIPMQSA-N 327.343 3.838 50 40 EHGB C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccccc1 408818246 UZJJWWSPOCDPLX-FOWTUZBSSA-N 334.375 3.806 50 40 EHGB COc1cc(C)c(/C=N/NC(=O)Cc2cccs2)cc1C(C)C 409197092 VRJVSHXPLDGFDS-YBFXNURJSA-N 330.453 3.881 50 40 EHGB COc1ccc(OC)c(/C=N/NC(=O)c2cccc3ccccc23)c1 369389 QHIGOPNBCKXMJR-FYJGNVAPSA-N 334.375 3.621 50 40 EHGB Cc1ccc(NC(=O)C(=O)NN=C2CCC(C(C)(C)C)CC2)cc1 4499494 XYEHMOCZWRPWGS-UHFFFAOYSA-N 329.444 3.642 50 40 EHGB CC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 13739335 IQEXWFSUJMYLIC-AWEZNQCLSA-N 338.354 3.920 50 40 EHGB N#C/C(=C/c1ccc(Br)cc1)C(=O)Nc1ccccc1 15219756 JTOFJKPHYNXSHG-RAXLEYEMSA-N 327.181 3.995 50 40 EHGB CSc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1 16440500 HCAOULWPZDAMSX-GXDHUFHOSA-N 338.388 3.652 50 40 EHGB CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1ccc(Cl)cc1 19902329 QJQWGHZOQKDTMH-AWEZNQCLSA-N 334.828 3.529 50 40 EHGB O=C(N/N=C\c1cc(Br)cs1)c1ccccc1Cl 4671622 UHHBCQYSFUMVIR-UUASQNMZSA-N 343.633 3.928 50 40 EHGB Cc1cccc(NC(=S)NNC(=O)c2ccc(Cl)cc2)c1C 5274166 KMATZHMOYKMMGW-UHFFFAOYSA-N 333.844 3.588 50 40 EHGB COc1cccc(/C=N/NC(=O)c2cc(C)n(-c3ccccc3)c2C)c1 6286472 OVRFSNRJRCDARX-HYARGMPZSA-N 347.418 3.867 50 40 EHGB N#C/C(=C/c1cccn1-c1ccc(O)cc1)c1ccc(C(=O)O)cc1 33723027 BQRKQZMPMSTMFG-VBKFSLOCSA-N 330.343 3.945 50 40 EHGB COc1ccc(Cl)cc1C(=O)C(Br)Br 199742313 VURAOTHBYXJGFD-UHFFFAOYSA-N 342.414 3.647 50 40 EHGB CCOc1ccc2oc(C(=O)N/N=C\c3sccc3C)cc2c1 409187575 SBAQHAOJGQVCTM-ZDLGFXPLSA-N 328.393 3.965 50 40 EHGB CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccccc1F 121530 WKJVLGBJAYCNPV-KRWDZBQOSA-N 347.349 3.659 50 40 EHGB O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(F)cc1 221033 KKVMRUKWXVDXFQ-DJKKODMXSA-N 336.819 3.863 50 40 EHGB C/C(=N\NC(=O)CSCc1ccc(Cl)cc1)c1ccccc1O 20248334 XVEBVWSNYJIXLJ-XDHOZWIPSA-N 348.855 3.819 50 40 EHGB C#CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2CC)c1 408933532 APRSCPCAUWFPGA-AQTBWJFISA-N 330.387 3.807 50 40 EHGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3Cl)c2[C@H]1c1ccccc1 477645 XAUPPOYBJGHVIU-HNNXBMFYSA-N 348.793 3.948 50 40 EHGB CCn1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c2ccccc21 563839 TXDGEHHRFSRUKW-SDNWHVSQSA-N 331.375 3.912 50 40 EHGB CCOC(=O)c1c(NC(=O)CCCl)sc2c1CCCCC2 5474142 UXEQPJJVOUZZJE-UHFFFAOYSA-N 329.849 3.761 50 40 EHGB C/C(=N/NC(=O)c1[nH]nc(-c2ccccc2)c1C)c1ccc(C)cc1 13645637 GKYMYRYQZPCNEL-QNGOZBTKSA-N 332.407 3.848 50 40 EHGB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1cccc(C)c1 33466988 MXCNYPSIUPFIAY-YBEGLDIGSA-N 336.391 3.907 50 40 EHGB CCOc1cc(C)c(/C=N/NC(=O)c2cccnc2)cc1C(C)C 408855574 OFSUMVSNJVNXFA-CIAFOILYSA-N 325.412 3.676 50 40 EHGB Cc1nn(-c2ccccn2)c2c1C(=O)CC(C)(C)[C@@H]2Br 8893 NSKDXALGDBAGSA-CQSZACIVSA-N 334.217 3.624 50 40 EHGB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(N)O1 47846 JOHBVQLLXJSGKQ-LJQANCHMSA-N 346.386 3.512 50 40 EHGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc2[nH]cnc2c1 522836 CWLIWFOOYBVGFH-IFRROFPPSA-N 333.178 3.634 50 40 EHGB CCOC(=O)c1sc(NC(=O)CCl)c(C#N)c1-c1ccccc1 59607191 XBYHXFJISYADGQ-UHFFFAOYSA-N 348.811 3.641 50 40 EHGB CN(C)c1ccc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1 408778434 UNQDAHIZEPQKDB-NHDPSOOVSA-N 335.329 3.535 50 40 EHGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cccc(Br)c1 409384081 AAFCZUVABHRAAK-ZSOIEALJSA-N 344.212 3.545 50 40 EHGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2c(F)cccc2F)cc1 3259037 GROPTFMUESXMBQ-SSDVNMTOSA-N 346.377 3.791 50 40 EHGB COc1ccc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1OC 33280085 MMJUJYOIYOJEPL-HMAPJEAMSA-N 348.402 3.550 50 40 EHGB O=C(F)[C@@](F)(OC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F 149592160 DIQJXOSFROSCFO-UWTATZPHSA-N 332.040 3.518 50 40 EHGB CO[C@H]1CN(C(=O)/C(C#N)=C/C(C)C)CC[C@@H]1Cc1ccccc1C 585289796 NUDPFADBRXZCNR-BIBGJXTNSA-N 340.467 3.507 50 40 EHGB C/C(=N\NC(=O)c1cccc(F)c1)c1ccc(Br)cc1 4694917 QARKWIGIVODVQV-VCHYOVAHSA-N 335.176 3.742 50 40 EHGB CCCC[C@@H](C(=O)O)[C@@H](C)CC(=O)NNc1ccccc1Cl 5007627 VNXSSUOECWTELR-NWDGAFQWSA-N 326.824 3.700 50 40 EHGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1 6828084 BFEXGIKAEBQVOS-XMHGGMMESA-N 334.419 3.740 50 40 EHGB O=C(Cc1ccccc1)N/N=C\c1ccccc1OCc1ccccc1 32233411 WDTDQDQIKGDWFM-KQWNVCNZSA-N 344.414 3.958 50 40 EHGB Cc1cc(/C=N\NC(=O)c2cccc(-n3cccc3)c2)cc(C)c1O 110385716 LCOFLOBPQKNLQW-BKUYFWCQSA-N 333.391 3.564 50 40 EHGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCCC3)c2C)cc1 409367647 GXSFEFKCMGAWBB-QGOAFFKASA-N 349.434 3.632 50 40 EHGB COc1ccccc1/C=N/NC(=O)COc1ccc(C(C)(C)C)cc1 509128 FPYWBPSWDMFDJF-FYJGNVAPSA-N 340.423 3.522 50 40 EHGB C/C(=N\NC(=O)[C@@H](C)SCc1ccccc1)c1ccccc1O 5370451 ZSQZTULRFOHPIJ-NFECSFHCSA-N 328.437 3.554 50 40 EHGB C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(CC)cc1 6209584 GAVPBDRJTMFZEE-NBVRZTHBSA-N 330.387 3.807 50 40 EHGB O=C(N/N=C/c1c[nH]c2ccccc12)c1cccc(Br)c1 255805 PTXHVJFUENFIRK-VXLYETTFSA-N 342.196 3.694 50 40 EHGB COCCOC(=O)/C(C#N)=C/c1cccn1-c1ccc(C)c(Cl)c1 4108787 GZKZCKGVHWGSIU-GXDHUFHOSA-N 344.798 3.536 50 40 EHGB CCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)cc1 5465091 GEQNFDNVCGNNBU-RGVLZGJSSA-N 346.814 3.576 50 40 EHGB Cc1ccc([C@H](Br)S(=O)(=O)c2ccccc2)cc1 6487703 BBWBIZHUBFZAKZ-CQSZACIVSA-N 325.227 3.862 50 40 EHGB Cc1cc(N/C=C(\C#N)S(=O)(=O)c2ccccc2)c2ccccc2n1 55088023 RIVZBERQIFXCHC-DTQAZKPQSA-N 349.415 3.794 50 40 EHGB CC[C@@H](NC(=O)c1c(C)nn(CCCl)c1C)c1ccc(OC)cc1 69900362 AMBGFEWULLXVOA-MRXNPFEDSA-N 349.862 3.628 50 40 EHGB CC(=C/c1ccccc1)/C=C(\C#N)C(=O)Nc1ccc2c(c1)OCCO2 96401241 QGEUZLKNSCCTLR-AJGWWKNYSA-N 346.386 3.950 50 40 EHGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C[C@H]2C=CC[C@@H]12 96570007 HRBVLWOKJJRCCI-JCJWHKHJSA-N 339.222 3.829 50 40 EHGB CCOc1cccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c1O 409221932 VWBKLIDIYWOKPD-VMOJBDSFSA-N 336.391 3.575 50 40 EHGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccn3)c2C)cc1 564208 IFQLRZMCKNSNOP-OEAKJJBVSA-N 346.434 3.815 50 40 EHGB CCOc1cc(/C=N/NC(=O)CCc2ccccc2)cc(Cl)c1O 573595 IFQZZEIOIMDVMM-UDWIEESQSA-N 346.814 3.527 50 40 EHGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc2c(cc1Cl)OCO2 408797541 GPGVMOUIRBBPTI-GLQBXYGBSA-N 346.814 3.671 50 40 EHGB Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1ccc(F)cc1 6043990 FVTNLJBXBDBFEU-WSDLNYQXSA-N 343.377 3.637 50 40 EHGB C[C@H](Cl)C(=O)Nc1nc2c(F)cc(Br)cc2s1 20131988 LABSAUFSBUHGAG-BYPYZUCNSA-N 337.601 3.764 50 40 EHGB Cn1cc(/C=C(\C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1 21791292 UTFQXJHGNAUYTI-LFIBNONCSA-N 344.374 3.758 50 40 EHGB Cc1cccc(C(=O)NNc2ccccc2C(F)(F)F)c1[N+](=O)[O-] 45480609 FMYBIDKAHLFQOK-UHFFFAOYSA-N 339.273 3.679 50 40 EHGB COc1ncccc1NC(=O)NN(c1ccccc1)c1ccccc1 48414566 WYBWZIMQDLRJQJ-UHFFFAOYSA-N 334.379 3.965 50 40 EHGB COC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccccc1 2768137 FKYUQGVWPIRDCZ-FOWTUZBSSA-N 329.359 3.619 50 40 EHGB CCOc1ccc(/C(C)=N/NC(=O)CSCc2ccccc2)cc1 20248782 FULVYXYQMUYOJJ-HMMYKYKNSA-N 342.464 3.859 50 40 EHGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OC 100225276 LFTXUAKFNXAPMN-ODLFYWEKSA-N 332.787 3.511 50 40 EHGB C[C@H]1Cc2cc(/C=N\NC(=O)c3ccccc3C(F)(F)F)ccc2O1 408710811 MKISCXAXBZOVFO-NQWZYWRBSA-N 348.324 3.793 50 40 EHGB N#C/C(=C\c1c(F)c(F)c(F)c(F)c1F)C(=O)NC1CCCCC1 3271718 HMCAVRGIRWUPRY-SOFGYWHQSA-N 344.283 3.738 50 40 EHGB Cc1noc(C)c1CCC(=O)NN=C(c1ccccc1)c1ccccc1 23228038 MHNYDDLSXGSOSP-UHFFFAOYSA-N 347.418 3.793 50 40 EHGB Cc1ccc(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 584742 DTZXQHRLVVJOBD-DJKKODMXSA-N 337.206 3.831 50 40 EHGB O=C(O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1Br 1712183 HYAYFCQYLQCRPU-FJBKBRRZSA-N 329.193 3.742 50 40 EHGB C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc(Cl)cc1 5221737 BAPQQHJWPJEHRJ-YBFXNURJSA-N 337.206 3.913 50 40 EHGB COc1cc(Br)c(/C=C(\C#N)c2ccno2)cc1OC 12746660 IWLZJEHIYPOYQF-BJMVGYQFSA-N 335.157 3.518 50 40 EHGB Cn1c(SCCCCl)nnc1-c1ccc(Br)cc1 228928005 ISDDDYDPGFNRQW-UHFFFAOYSA-N 346.681 3.966 50 40 EHGB CC1=C(C=O)C[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CCC1=CC(=O)O[C@H]1O 257499125 NZIQEPLIKSMSRT-WESRLMAHSA-N 332.440 3.546 50 40 EHGB biogenic,in-vitro N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)Sc1nc2ccccc2[nH]1 408598931 LJRHNIIZBRWILI-YRNVUSSQSA-N 338.348 3.833 50 40 EHGB CCc1ccc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1 308831 FUXUKELUSJYQOA-CPNJWEJPSA-N 343.430 3.996 50 40 EHGB O=C(NN=Cc1ccc(-c2ccccc2)cc1)c1ccc2nc[nH]c2c1 12910279 NJYOVQPLVPOYME-UHFFFAOYSA-N 340.386 3.994 50 40 EHGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1OC 96544493 FDKBFYASZATSBL-RAXLEYEMSA-N 342.782 3.903 50 40 EHGB N#CSCc1nc2ccc(Cl)cc2c(-c2ccccc2)[n+]1[O-] 1865809 YROBDNZTTZNXLP-UHFFFAOYSA-N 327.796 3.903 50 40 EHGB Cc1c([C@@H]2[C@@H](CCNC(=O)CCl)C2(C)C)c2ccccc2n1C 2108394 RTTGLJZTWRWRMY-KDOFPFPSSA-N 332.875 3.971 50 40 EHGB biogenic Cc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 3068029 XPTPUESULYENMA-UDWIEESQSA-N 349.346 3.927 50 40 EHGB CCCC[C@H](Br)C(=O)OC[C@@H]1CCCN2CCCC[C@H]12 4027979 SZUFXALKOQDQRX-SOUVJXGZSA-N 346.309 3.748 50 40 EHGB biogenic O=C1[C@@H](Cl)N(c2cccc([N+](=O)[O-])c2)[C@@H]1c1c[nH]c2ccccc12 5594148 PCQRBGZKNNBCAY-WBVHZDCISA-N 341.754 3.771 50 40 EHGB CC(=O)Oc1cccc(/C=N/NC(=O)c2cccc3ccccc23)c1 408752653 FVURPGRABHATAN-FYJGNVAPSA-N 332.359 3.529 50 40 EHGB COC(=O)/C(C#N)=C/c1oc2ccc(Br)cc2c1Cl 16806344 CDNLYSAQRZNDKZ-QPJJXVBHSA-N 340.560 3.929 50 40 EHGB COc1ccc([C@H]2C(C#N)=C(N)OC3=C2CCc2ccccc23)cc1 33796304 YGUAZIKHQTWLPE-LJQANCHMSA-N 330.387 3.860 50 40 EHGB COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC#N 33741063 OZKQIEPLEDRDAQ-UVTDQMKNSA-N 330.347 3.538 50 40 EHGB Fc1ccc(/N=c2/scc(CCl)n2C[C@H]2CCCO2)cc1 100388168 NOUFGXVQCWTQNK-GBUWSYLDSA-N 326.824 3.839 50 40 EHGB Cc1cc(OCC(=O)N/N=C2\C[C@H]3CC[C@H]2C3(C)C)ccc1Cl 408957548 UYGGSNGOCASIJO-NIVANCOJSA-N 334.847 3.956 50 40 EHGB COc1ccc(C(=O)N/N=C(\C)c2cccc3ccccc23)c(O)c1 409393198 VNORRROPWSBWMA-FYJGNVAPSA-N 334.375 3.708 50 40 EHGB BrCc1ccc(Br)nc1Br 330876 AJUZSMABBXCOER-UHFFFAOYSA-N 329.817 3.502 50 40 EHGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 563146 LKCZKSJGTLBTRM-CAOOACKPSA-N 338.150 3.666 50 40 EHGB CS/C(CCCNC(C)=O)=C(/C#N)c1nc2ccccc2s1 2643763 XYTOBWAAVVSWHY-OWBHPGMISA-N 331.466 3.810 50 40 EHGB O=S1(=O)CC2[C@H](c3ccccc3)C([C@@H]1Cl)[C@@H]2c1ccccc1 4533020 TUXHSCPCLFNSMG-BFYMFYIXSA-N 332.852 3.793 50 40 EHGB CC1=C(C#N)[C@](Nc2nc3ccccc3s2)(C(F)(F)F)C(O)=N1 4581504 CDTRPYLMBNUZOW-CYBMUJFWSA-N 338.314 3.777 50 40 EHGB COc1ccccc1C(=O)N/N=C/c1ccc(C)c(Br)c1 6215398 GCOXHMNYWMGZTM-VCHYOVAHSA-N 347.212 3.530 50 40 EHGB O=C(N/N=C\c1ccc2c(c1)OCO2)c1cc2cc(Cl)ccc2o1 409017281 LYHVOGPUHZNNDJ-UWVJOHFNSA-N 342.738 3.579 50 40 EHGB Cc1cc(N2CCOCC2)ccc1/C=C(/C#N)c1nc2ccccc2[nH]1 409068524 AYPUPDXBYTYKDU-LGMDPLHJSA-N 344.418 3.772 50 40 EHGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1 409152520 FPZMCPUMNSBUKR-CIAFOILYSA-N 348.358 3.717 50 40 EHGB N#Cc1ccc(C(=O)NN(Cc2ccccc2)Cc2ccccc2)cc1 8158354 DHBFQWOIJZDBQP-UHFFFAOYSA-N 341.414 3.905 50 40 EHGB N#CC1=C(c2ccc(Cl)cc2)c2ccc3cccnc3c2O[C@H]1N 226758311 LVQCARGHSVGTGU-LJQANCHMSA-N 333.778 3.891 50 40 EHGB C/C(=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1ccco1 491849 PTSKIBGMTSYXKT-SVXRXWARSA-N 341.194 3.894 50 40 EHGB Cc1ccc(S(=O)(=O)/C(C#N)=C/Nc2cc(C)ccc2C)cc1 5363316 LLMCUUCKNXALSP-SFQUDFHCSA-N 326.421 3.863 50 40 EHGB CC(C)(C)OC(=O)NNC(=O)c1cc2c(s1)-c1ccccc1CC2 17398253 NMTGLCMXAXHWTR-UHFFFAOYSA-N 344.436 3.683 50 40 EHGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccc4ccccc34)n2c1 59444054 LEQVSLOJSVWGCB-WSDLNYQXSA-N 342.402 3.868 50 40 EHGB Cc1ccsc1/C=N\NC(=O)Cc1cccc(C(F)(F)F)c1 208457426 XLXANOSBPHHSSJ-OCKHKDLRSA-N 326.343 3.768 50 40 EHGB CCN(CC)c1ccc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc1 408718811 LJJABYSINBSDSK-YQOKEHODSA-N 327.472 3.809 50 40 EHGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OC 408847011 LXIGYVCEJQCHBY-NDENLUEZSA-N 338.363 3.604 50 40 EHGB Cc1ccccc1/C=C(\C#N)C(=O)NCCc1c[nH]c2ccccc12 308768 VTYMAPAONCTSGI-LDADJPATSA-N 329.403 3.742 50 40 EHGB Fc1ccc(/N=c2\scc(CCl)n2C[C@H]2CCCO2)cc1 4206223 NOUFGXVQCWTQNK-QFVIEVDGSA-N 326.824 3.839 50 40 EHGB in-vitro COc1ccc(OC)c(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c1 33760525 AAPCMNXSLGSBIE-YBEGLDIGSA-N 336.391 3.866 50 40 EHGB C[C@H]1Cc2cc(/C=N\NC(=O)Cc3cccc4ccccc34)ccc2O1 408710912 WCORNHJGXRTVCK-DZIKBWIISA-N 344.414 3.856 50 40 EHGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccccc2[N+](=O)[O-])c1 408742693 SCHCTJVDEFOULG-GXDHUFHOSA-N 337.335 3.539 50 40 EHGB N#Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccccc3)o2)cc1 409014802 KDTMOPMBYIUFDU-HYARGMPZSA-N 329.359 3.511 50 40 EHGB CCOC(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 409072313 JQFRGKTUIOHLDR-YBFXNURJSA-N 332.787 3.999 50 40 EHGB Cc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)s1 5075302 CGMLZKYUYHXVSI-LBPRGKRZSA-N 340.433 3.726 50 40 EHGB Cc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c(C)n1C1CCCC1 8334227 IJDKBFFXSHQGBT-BTVXTAIASA-N 348.450 3.978 50 40 EHGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])o2)c1 408776723 PZVZEMNNWARFEV-WQLSENKSSA-N 341.323 3.521 50 40 EHGB CC(C)Oc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1 408913457 MMCUAYFQMOYPIC-RGVLZGJSSA-N 346.814 3.656 50 40 EHGB N#C/C(=C\c1ccc(Br)cc1)C(=O)NCc1cccs1 409205965 KXZIFKRAKGCUJZ-XYOKQWHBSA-N 347.237 3.734 50 40 EHGB CCOC(=O)/C(C#N)=C/C=C(/c1ccc(Cl)cc1)N1CCCC1 6463231 UJEFLMBPEQHMSE-ICVZPZTJSA-N 330.815 3.790 50 40 EHGB Cc1cc(/C=C(\C#N)c2nc3ccccc3c(=O)[nH]2)cc2c1O[C@H](C)C2 12062575 UDQLWHIPWIEVRS-BVTUPMQUSA-N 343.386 3.619 50 40 EHGB Cc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1C 59401631 FATSNOGDUWOWKJ-VXLYETTFSA-N 325.368 3.592 50 40 EHGB COc1cc(/C=C(\C#N)c2nnc(-c3ccccc3)n2C)cc(OC)c1 66408223 SDDWANQYWBFOFM-CXUHLZMHSA-N 346.390 3.563 50 40 EHGB COc1cc(/C(C#N)=C/c2cnc3cc(C)ccn23)ccc1[N+](=O)[O-] 95452289 JSUXJXQIMBREDQ-RIYZIHGNSA-N 334.335 3.624 50 40 EHGB N#C/C(=C/c1ccco1)C(=O)OCC(=O)Nc1cccc2ccccc12 96508110 ZJZOTZNHCNQOCV-PTNGSMBKSA-N 346.342 3.522 50 40 EHGB C/C(=N\NC(=O)Nc1ccccc1C)c1ccc(-n2ccnc2)cc1 43991611 BMIYAVDYVLIHNG-PXLXIMEGSA-N 333.395 3.726 50 40 EHGB COc1ccccc1/C=C1\C(=O)OC(=O)\C1=C\c1ccccc1Cl 104259556 IEJCFPVKJKXDLI-AIWUCEOPSA-N 340.762 3.899 50 40 EHGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1Cl 93696 SZGKDDFPNZWKOH-VURRPDKYSA-N 337.206 3.911 50 40 EHGB CCc1cc(C(=O)N/N=C/c2ccc(OC)cc2)c2ccccc2n1 249360 UIQXVBXYJOPLBR-FYJGNVAPSA-N 333.391 3.570 50 40 EHGB O=C(N/N=C\c1cc(Br)cs1)c1ccc(Cl)cc1 4775453 HNBODCUQPXKNSX-UUASQNMZSA-N 343.633 3.928 50 40 EHGB Cc1cc(C)n(-c2ccc(C(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)n1 7006963 SKIBVYWUVPPASF-UHFFFAOYSA-N 337.335 3.617 50 40 EHGB CC1=C(/C=C/C(C)=N\NC(=O)c2ccc[n+](C)c2)C(C)(C)CCC1 17041122 OTNFPJUOQLERLJ-CQKVNPIASA-O 326.464 3.700 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1OCC 42645430 SYHFEEQEVZTBKG-UDWIEESQSA-N 346.814 3.901 50 40 EHGB C/C(=N\NC(=O)[C@H](C)SCc1ccccc1)c1ccc(F)cc1 58915910 SBGPOHQOWCXAOY-ZXOFLVKFSA-N 330.428 3.988 50 40 EHGB CC(C)(C)S(=O)(=O)/C(C#N)=C/Nc1ccc(C(F)(F)F)cc1 100943435 MSBVWHDBSHLHBO-FMIVXFBMSA-N 332.347 3.696 50 40 EHGB N#C/C(=C\c1ccc(OCC(N)=O)cc1)c1cccc2ccccc12 6496569 LFLUKRUVLJALLA-SFQUDFHCSA-N 328.371 3.768 50 40 EHGB Cc1cccc(-n2cccc2/C=N\NC(=O)Cc2ccc(F)cc2)c1 409253081 YPBIMOAHLMZPGY-HMAPJEAMSA-N 335.382 3.618 50 40 EHGB COc1ccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@@H](C)C[C@@H]32)cc1 34914864 HTOYCAGQFXFQLG-AZOIQLNYSA-N 344.418 3.535 50 40 EHGB COc1cc(OC)c(OC)cc1/C=C(/C#N)c1nc2ccccc2[nH]1 33462046 RUTCUBNYTKYYBF-JYRVWZFOSA-N 335.363 3.653 50 40 EHGB CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1 13586164 LYLHRCBYRAGXGM-QGZVFWFLSA-N 325.799 3.624 50 40 EHGB CC(=O)Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1 353670 HCGJKTNQWQQVCJ-FYJGNVAPSA-N 332.359 3.529 50 40 EHGB Cc1ccc(C)c(OCC(=O)N/N=C/c2c(C)n(C)c3ccccc23)c1 4663465 HBTUHKPPJOYPMV-WSDLNYQXSA-N 349.434 3.633 50 40 EHGB Cc1cc(C)nc(NNC(=O)c2cccc3c4c([nH]c23)CCCCC4)n1 30625385 ZANQWKGHDJABBA-UHFFFAOYSA-N 349.438 3.601 50 40 EHGB COc1ccc(Br)cc1C(=O)N/N=C(\C)c1ccccc1 408710876 SVRJQXGLTDUCMF-WOJGMQOQSA-N 347.212 3.612 50 40 EHGB C=CCOc1cccc(/C=N/NC(=O)CSCc2ccccc2)c1 408719678 JQJMZJPIFPZRHN-DEDYPNTBSA-N 340.448 3.635 50 40 EHGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1OC 3908641 IRCJYYYXCYDADO-MDWZMJQESA-N 335.363 3.653 50 40 EHGB C[C@H](Br)C(=O)Nc1sc2c(c1C#N)CCCCC2 6182832 LCRZIZMKFNTOQD-QMMMGPOBSA-N 327.247 3.611 50 40 EHGB N#C/C(=C/c1ccco1)c1nc(-c2ccc3c(c2)NC(=O)CO3)cs1 96019910 LTWWHYVKXQVEJX-SDQBBNPISA-N 349.371 3.798 50 40 EHGB CC(C)COc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1 303347460 XNIJVCYYZAOAQA-UNOMPAQXSA-N 334.419 3.945 50 40 EHGB C=CCc1cc(/C=N\NC(=O)c2cccc(Cl)c2)cc(OC)c1O 409211067 KLUQCUZCCDXOIY-JAIQZWGSSA-N 344.798 3.547 50 40 EHGB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1cccnc1 219820 JYTYWFGTQHGZHO-LGVXEURYSA-N 345.402 3.666 50 40 EHGB CC[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccs3)[C@@H]2C1 4453554 ISOIGZZSWATPCY-DXCKQFNASA-N 334.448 3.978 50 40 EHGB ClC[C@@H](Cl)COC[C@@H]1CO[C@@H](c2ccc(Cl)cc2)O1 6225766 CKAGUBYMMHRUIZ-JHJVBQTASA-N 325.619 3.617 50 40 EHGB O=C(Nc1ccccc1-c1nc(-c2cccnc2)no1)C(Cl)Cl 101627888 XSEKBCZEQXAVFJ-UHFFFAOYSA-N 349.177 3.541 50 40 EHGB C/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccccc1 408529814 KCPLUNDCHRCEIW-WSDLNYQXSA-N 335.329 3.658 50 40 EHGB Cn1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c2ccccc21 408962870 KSPMNWWTJKHDQZ-LSHDLFTRSA-N 345.324 3.961 50 40 EHGB C#CCn1cc(/C=N/NC(=O)Cc2ccc(CC)cc2)c2ccccc21 409363699 MNLUEBWKKKKLML-HZHRSRAPSA-N 343.430 3.530 50 40 EHGB C/C(=N\NC(=O)c1cccc(C)c1)c1ccc(Br)cc1 498249 HBJIFVNOQYZLJB-LDADJPATSA-N 331.213 3.912 50 40 EHGB O=C(NNc1nc2c(Cl)cccc2s1)c1c(F)cccc1F 4121371 FTVXUUTWBDPXEE-UHFFFAOYSA-N 339.754 3.985 50 40 EHGB O=C(N/N=C(\c1ccccc1)c1ccncc1)[C@@H]1C[C@H]1c1ccccc1 5488432 ZBQFQKWHCDKTIV-ZRQCSBHTSA-N 341.414 3.754 50 40 EHGB N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1ccccc1[N+](=O)[O-] 5604964 KOBCKAMPCIQPAW-SFHVURJKSA-N 343.342 3.966 50 40 EHGB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)CCl 9646727 HBVSYNMWTPMKCM-UHFFFAOYSA-N 342.620 3.906 50 40 EHGB Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1cccc(F)c1 408785592 HTRXUUSDBZHPGI-SXGWCWSVSA-N 325.387 3.665 50 40 EHGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(C)c1C 6825523 BMWFCFQBFLHEIV-CIAFOILYSA-N 335.407 3.568 50 40 EHGB Cc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] 7157242 OOVHQSIMCZRYFR-FBJMNJBLSA-N 335.363 3.688 50 40 EHGB Cc1nc(-c2ccccc2)sc1C(=O)NN=C1CCSCC1 46589232 AFLJNYKCZGKXLT-UHFFFAOYSA-N 331.466 3.731 50 40 EHGB N#C/C=C\c1ccc(N[C@H](CCO)c2cccs2)c([N+](=O)[O-])c1 97323795 UPIVLQNWJYZFRJ-NPPUXFBVSA-N 329.381 3.729 50 40 EHGB COc1ccc(NC(=O)N/N=C\c2cccn2-c2ccccc2)cc1 408856235 JJVPSDHIWFXSMB-ZHZULCJRSA-N 334.379 3.642 50 40 EHGB COc1ccc(C(=O)NNc2nc3c(C)c(C)ccc3s2)cc1 4121422 REYRSDUWNGZCAC-UHFFFAOYSA-N 327.409 3.679 50 40 EHGB COc1ccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)c2ccccc23)cc1 20057533 ZNKULDJIDXCXTG-SFHVURJKSA-N 328.371 3.787 50 40 EHGB CN(C)c1ccc(C(=O)NNc2nc3ccc(Cl)cc3s2)cc1 251183 DPCSWHMLMLAINQ-UHFFFAOYSA-N 346.843 3.773 50 40 EHGB Cc1ccc2nc(SCC(=O)N/N=C/c3ccco3)cc(C)c2c1 352352 CPYTXWFFFQKUDP-VXLYETTFSA-N 339.420 3.687 50 40 EHGB Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C#N)c1 5533623 IGKHHOCKZGMCMU-UHFFFAOYSA-N 342.358 3.534 50 40 EHGB O=C(N/N=C/C1=Cc2cc(Cl)cc(Cl)c2OC1)c1cccnc1 36843689 YCXHUTOTTDTHAH-IFRROFPPSA-N 348.189 3.580 50 40 EHGB Brc1ccnc(C(Br)Br)c1 100360754 LMSGUKNYRSFDLQ-UHFFFAOYSA-N 329.817 3.633 50 40 EHGB C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1cccc2ccccc12 408599257 QZLNZMLXYYVFNG-DEDYPNTBSA-N 333.347 3.902 50 40 EHGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2 408800462 MNBKUYZRZZHBDX-NTUHNPAUSA-N 340.766 3.923 50 40 EHGB C[C@@]1(c2ccccc2)C[C@H]1C(=O)N/N=C/c1c(O)ccc2ccccc12 348213 QVVOECLIGBHMMW-RAJMRQGUSA-N 344.414 3.973 50 40 EHGB O=C(Cc1ccc(Cl)cc1)NNc1c(F)c(F)cc(F)c1F 3268364 OMDSQOUBTVVCPT-UHFFFAOYSA-N 332.684 3.582 50 40 EHGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1C 6959588 FGUPZRFAXLNIFD-HZHRSRAPSA-N 342.398 3.924 50 40 EHGB Cc1ccc(/C=C/C(=O)NNc2c(F)c(F)c(F)c(F)c2F)s1 19598271 MJACARDVYFKIHQ-SNAWJCMRSA-N 348.296 3.909 50 40 EHGB COc1ccc(C2=NN(C(=O)CCl)[C@H](c3cccc(F)c3)C2)cc1 36034152 ITYOZDFZTKOPFK-KRWDZBQOSA-N 346.789 3.751 50 40 EHGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccccn3)c2C)c1 59427009 FVWDCUMFIKEWDY-YDZHTSKRSA-N 346.434 3.870 50 40 EHGB C=CCOc1ccc(C(=O)N/N=C/c2ccc(OCCC)cc2)cc1 3080078 ZQUUYQKYHXQPGN-RCCKNPSSSA-N 338.407 3.804 50 40 EHGB CCN(CC)c1ccc(C(=O)N/N=C(\C)c2ccc(C#N)cc2)cc1 4871939 GGYWZYBBJNFUQF-PXLXIMEGSA-N 334.423 3.558 50 40 EHGB CN(C)C(=O)/C(C#N)=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 59333805 SSGLCWMGEWSJSX-WJDWOHSUSA-N 347.393 3.824 50 40 EHGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 206267307 OHELJGMXIVFQCZ-UVTDQMKNSA-N 337.335 3.539 50 40 EHGB NNC(=O)c1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 216948487 FEAFACKZGUOLGK-UHFFFAOYSA-N 334.206 3.600 50 40 EHGB Cc1cc(/C=N\NC(=O)c2cccc(O)c2)c(C)n1-c1ccccc1 408776770 RDHJXYKAZIYPRE-BKUYFWCQSA-N 333.391 3.564 50 40 EHGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(C)cc1OC 409084312 COLFVBCBXNTUCH-RGVLZGJSSA-N 346.814 3.820 50 40 EHGB Cc1ccc(C)c(CC(=O)N/N=C\c2cccc(Br)c2)c1 409360300 DPOPGHTYLQIITR-ODLFYWEKSA-N 345.240 3.759 50 40 EHGB N#CC(Nc1ccc(F)c(Cl)c1)=C1C(=O)c2ccccc2C1=O 150416 JLSNLOQMUIFYHK-UHFFFAOYSA-N 326.714 3.748 50 40 EHGB O=C(CCl)N(C[C@H]1CCCO1)c1nc(-c2ccccc2)cs1 882096 JRCCWKSGMYRLRS-CYBMUJFWSA-N 336.844 3.561 50 40 EHGB Cc1nn(C)c(C)c1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C 13137335 URYHYEOKBFLRQL-MDWZMJQESA-N 328.803 3.544 50 40 EHGB Cc1ccc(Cl)cc1N/C=C(\C#N)S(=O)(=O)c1ccccc1 44842292 YACXINVWYRHTAP-RVDMUPIBSA-N 332.812 3.899 50 40 EHGB COc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-] 408567718 PKDPILRMBQWKCD-WDZFZDKYSA-N 338.298 3.683 50 40 EHGB C/C(CC[C@@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]21C)=N/NC(N)=O 1245463 YPWULSVTTBGBFG-JDAUABSGSA-N 337.508 3.804 50 40 EHGB O=[P@]1(N(CCCl)CCCl)N[C@@H](c2ccccc2)CCO1 1568154 ZQQQZXQFRYBOON-ZUOKHONESA-N 337.187 3.625 50 40 EHGB CCCCSC1=C(C#N)C(=O)N[C@H](c2ccc(N(C)C)cc2)S1 2052534 ATEKGCNOICIETP-INIZCTEOSA-N 347.509 3.883 50 40 EHGB C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 4473797 ABRMBMKNBMUPDD-YBFXNURJSA-N 337.206 3.913 50 40 EHGB O=C(N/N=C/c1cc(/N=N/c2ccccc2)ccc1O)c1cccnc1 5369940 HKTLUXYBKNYAAZ-LAMRRIJQSA-N 345.362 3.967 50 40 EHGB C/C(=N\NC(=O)c1ccc2ccccc2c1)c1ccc2c(c1)OCCO2 408598996 NFYIFVNUQROQTO-HYARGMPZSA-N 346.386 3.765 50 40 EHGB Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1C(C)(C)C 409220895 HLHSYOREZFWEMQ-MTJSOVHGSA-N 329.419 3.692 50 40 EHGB O=[P@]1(N(CCCl)CCCl)N[C@H](c2ccccc2)CCO1 1568155 ZQQQZXQFRYBOON-RNODOKPDSA-N 337.187 3.625 50 40 EHGB C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 4844290 YCPSHQARAHIQRV-DEDYPNTBSA-N 337.379 3.628 50 40 EHGB Cc1cccc(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)c1 11296492 CXYOQXUGCUZMQB-RVDMUPIBSA-N 328.379 3.570 50 40 EHGB COc1ccc(CNC(=O)NNc2ccc(Cl)cc2Cl)cc1 12911529 PQWPOGMBKVIUCG-UHFFFAOYSA-N 340.210 3.828 50 40 EHGB CSc1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1 58915512 LJEWGMQHGCUKNY-WOJGMQOQSA-N 330.478 3.792 50 40 EHGB N#C/C(=C/c1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)O)c1 408543734 SOOBYWYPOYGDMD-QPEQYQDCSA-N 326.739 3.584 50 40 EHGB CCc1ccc(/C(C)=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 369565 PWJLMTKDQVGDNJ-CPNJWEJPSA-N 325.368 3.620 50 40 EHGB CCc1ccc(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 486448 GCAYCLGRFWNKPL-LPYMAVHISA-N 348.402 3.637 50 40 EHGB CCCC(CCC)=NNC(=O)CSCc1ccc([N+](=O)[O-])cc1 4714613 QWZUGNFTPQMFPP-UHFFFAOYSA-N 337.445 3.900 50 40 EHGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)o1 408591905 WEQXSQHONQGFMW-SRZZPIQSSA-N 339.370 3.899 50 40 EHGB O=C(N/N=C/c1ccc(Br)s1)c1ccccc1Cl 112754 PXQFXVWJAIZLNO-VIZOYTHASA-N 343.633 3.928 50 40 EHGB O[C@@H](CCl)CSc1nnc(-c2ccccc2)n1-c1ccccc1 501421 UBBYJMKRYGBFCQ-HNNXBMFYSA-N 345.855 3.626 50 40 EHGB Cc1ccc([C@]2(C(F)(F)F)NC(=O)N3C=CC=CC3=C2C#N)cc1 3227422 MPXVDSIRBFTVQQ-INIZCTEOSA-N 331.297 3.639 50 40 EHGB C/C(=N\NC(=O)c1ccc(C)cc1Cl)c1ccc([N+](=O)[O-])cc1 13842637 JPPWLFLQUOKIBD-WOJGMQOQSA-N 331.759 3.711 50 40 EHGB c1ccc(P(=Nc2nnc[nH]2)(c2ccccc2)c2ccccc2)cc1 97985137 UDQYAKYUNBUSRD-UHFFFAOYSA-N 344.358 3.614 50 40 EHGB Cc1cc2c(cc1/C=N/NC(=O)CC#N)[C@H](C)CC(C)(C)N2C(C)C 223588358 JFFDOHXMBJTVIL-HJGVYBFFSA-N 340.471 3.859 50 40 EHGB Cc1ccc2nc(Cl)c(/C=N/NC(=O)Cc3ccccc3)cc2c1 408729092 XJSWSXAEVAZQTE-CIAFOILYSA-N 337.810 3.889 50 40 EHGB C/C(=N\NC(=O)CCSc1ccc(C)cc1)c1ccccc1O 409120919 WWTCTUBWAVYGQI-XMHGGMMESA-N 328.437 3.723 50 40 EHGB Cc1nc(C(=O)N2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)c(C)o1 585088368 YGKXFSWAOCKBIV-AWEZNQCLSA-N 338.524 3.918 50 40 EHGB C/C(=N/NC(=O)COc1cccc(Cl)c1)c1ccc(Cl)cc1 49880 LZJGOGQRNQUXCE-ODLFYWEKSA-N 337.206 3.913 50 40 EHGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 498048 KPUNTMFKFFUOIT-CAOOACKPSA-N 338.150 3.666 50 40 EHGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1cccnc1 522818 GFGSOJAQDZAHJN-RGVLZGJSSA-N 325.755 3.759 50 40 EHGB Cc1c([C@H]2[C@@H](CCNC(=O)CCl)C2(C)C)c2ccccc2n1C 2108392 RTTGLJZTWRWRMY-RDTXWAMCSA-N 332.875 3.971 50 40 EHGB biogenic C[C@H](/C=N/NC(=O)CC1CCCCC1)Cc1ccc2c(c1)OCO2 4614621 DOHHCSLZWYVKOK-PVGUKEHMSA-N 330.428 3.666 50 40 EHGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC#N)cc1 23723991 CVFZLBSBSHIZQG-DTQAZKPQSA-N 347.374 3.533 50 40 EHGB N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)c1ccc2c(c1)OCO2 44028909 OLJUYUDDGCMQLL-NTUHNPAUSA-N 343.285 3.807 50 40 EHGB C[C@H](Cl)CN(Cc1cc(Cl)c(O)cc1O)C[C@H](C)Cl 95876735 ZUFJAUDVFHWSNC-IUCAKERBSA-N 326.651 3.808 50 40 EHGB COc1ccc(-c2nc3cc(NC(=O)CCl)cc(C)c3o2)cc1 216855199 LDIOVCNYJGGRRE-UHFFFAOYSA-N 330.771 3.989 50 40 EHGB CO[C@@H](C(=O)N/N=C/c1ccc(OCC(C)C)cc1)c1ccccc1 408720236 WPRFTJVOVZFXCT-DBRLUCFCSA-N 340.423 3.559 50 40 EHGB C[C@H](COc1ccc(C(C)(C)C)cc1)O[S@](=O)OCCCl 1597096 YKFRAOGHWKADFJ-GTJPDFRWSA-N 334.865 3.602 50 40 EHGB in-vitro Cc1ccccc1C(=O)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 9200958 NVTJGYPEKFAVMA-UDWIEESQSA-N 349.346 3.927 50 40 EHGB CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1 8845693 ICSLJPXWANGVFA-QGZVFWFLSA-N 338.411 3.505 50 40 EHGB COc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccccc3)c2C)cc1 409002199 YYYRLYDOGVKQEZ-HMAPJEAMSA-N 347.418 3.867 50 40 EHGB C/C(=N\NC(=O)c1cc(Br)c[nH]1)[C@H]1C[C@H]1c1ccccc1 585145967 UBCHSQAZRQJZLH-SLJPQEBISA-N 346.228 3.687 50 40 EHGB O=C(N/N=C/c1ccc(Br)s1)c1ccc(Cl)cc1 485119 QQAYTSGPWBSXJE-VIZOYTHASA-N 343.633 3.928 50 40 EHGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)C[C@@H](C)O3)c1 2435098 DSEXMRLNRVGMFB-YDRQLGOLSA-N 334.375 3.564 50 40 EHGB CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 98087138 MNROBFAWKMVYPK-YRNVUSSQSA-N 345.738 3.768 50 40 EHGB CCOc1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1 233772 RKPZTRIUXNYEAR-XMHGGMMESA-N 328.437 3.718 50 40 EHGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc2[nH]cnc2c1 551069 SGDRQLJYMAZHKA-IFRROFPPSA-N 333.178 3.634 50 40 EHGB COC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2)o1 5009824 IPAUOJCZMXREED-FLIBITNWSA-N 332.153 3.789 50 40 EHGB O=C(CCl)NCc1ccc(-c2ccc(Br)cc2)o1 95351575 SYDZLDTZUPNVRF-UHFFFAOYSA-N 328.593 3.564 50 40 EHGB CC(C)(C)c1ccc(C(=O)NNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 105763217 NUCQJBBTGVZAIE-BPUTZDHNSA-N 328.456 3.571 50 40 EHGB N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1 208421062 NYPQAZOZONSYMB-WQLSENKSSA-N 327.727 3.794 50 40 EHGB N#C/C(=C\c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 948026 QIEUDTWFLMXFSD-XNTDXEJSSA-N 348.221 3.787 50 40 EHGB Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc(Cl)cc2)c1 5274173 UIVLTIFVHWRSPK-UHFFFAOYSA-N 333.844 3.588 50 40 EHGB O=C(N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)Nc1ccccc1 6241120 MDLLXRDDRUNAMI-UDWIEESQSA-N 349.346 3.800 50 40 EHGB CCCCCC[C@@H]1/C(=N/NC(=O)c2ccccc2)CC[C@@H]1C(=O)OC 13136894 BATQKXRPAFSNEO-IJUQLDHVSA-N 344.455 3.942 50 40 EHGB CN(C)c1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cn1 32350056 FZRTZLUPLXIDOG-UHFFFAOYSA-N 332.407 3.631 50 40 EHGB Cc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)c2ccccc12 216941860 WCMAFNPEHPPWTR-UHFFFAOYSA-N 327.387 3.967 50 40 EHGB CCN(CC)c1ccc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc1 409365630 RCWYDDFQIDMEBT-JCMHNJIXSA-N 337.467 3.842 50 40 EHGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)c(O)c1 3298616 GZCCPEYHZHFGGD-MHWRWJLKSA-N 336.391 3.953 50 40 EHGB COc1cc(/C=C(\C#N)c2ccccc2)cc(Cl)c1OCC(=O)O 409047077 MQWKMYBKTISXBT-VGOFMYFVSA-N 343.766 3.876 50 40 EHGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)ccc1OCC(C)C 408802858 IIENYKFYTZCEPT-ZXMBATIKSA-N 344.455 3.942 50 40 EHGB O=C(c1ccc(Cl)cc1)[C@H](Br)CBr 307078556 MZLOCIUNJZAFEL-MRVPVSSYSA-N 326.415 3.681 50 40 EHGB COc1ccc(/C=N/NC(=O)[C@@H](C)Nc2ccc3ccccc3c2)cc1 31091 GVRWEVJCGYYMPJ-QQHUYRGFSA-N 347.418 3.799 50 40 EHGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC#N 3902153 OZKQIEPLEDRDAQ-GXDHUFHOSA-N 330.347 3.538 50 40 EHGB CC(=O)n1cc(/C=N/NC(=O)c2ccccc2Cl)c2ccccc21 258282 XAKDKOUIHWMRHM-KEBDBYFISA-N 339.782 3.719 50 40 EHGB O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccccc1F 51992 MAGIBUBKOROIRK-UHFFFAOYSA-N 348.786 3.769 50 40 EHGB O=C(N/N=C/c1ccco1)c1ccc(NC(=O)C2CCCCC2)cc1 358631 WEXPGKIYDNVPAR-DEDYPNTBSA-N 339.395 3.562 50 40 EHGB C[C@@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1ccccc1F 31139 SEIOYUYDQQEUHI-CYGNYLSHSA-N 335.382 3.930 50 40 EHGB Cc1cccc(NCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c1 290903 IBZXXNOPHKPDMX-AWQFTUOYSA-N 336.222 3.864 50 40 EHGB COc1ccc(N(C(=O)CCCl)[C@H](C#N)c2ccccc2)cc1 2320094 OMECQIRTYCIZSI-QGZVFWFLSA-N 328.799 3.922 50 40 EHGB CCC(C)(C)[C@H]1CCc2n[nH]c(C(=O)N/N=C(\C)c3ccco3)c2C1 13635784 KZGGSTFHLWGOQL-DZUMZMOTSA-N 342.443 3.698 50 40 EHGB Cc1ccccc1C(=O)NNC(=O)c1cc(F)ccc1-c1ccccc1 45015146 QDJWSLNXRHLRON-UHFFFAOYSA-N 348.377 3.876 50 40 EHGB COc1ccccc1/C=N/NC(=O)CSCc1cccc(Cl)c1 59473361 RIUMOHWFFRVWOY-VXLYETTFSA-N 348.855 3.732 50 40 EHGB O=C(N/N=C/c1c2ccccc2nc2ccccc12)c1ccncc1 138704078 KYTCLBXSRBKLRR-LPYMAVHISA-N 326.359 3.547 50 40 EHGB Cc1cc(C)c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)c1 408676509 JRMGAIDWASQWDH-HYARGMPZSA-N 335.451 3.976 50 40 EHGB O=C(CCl)Nc1sc2c(c1C(=O)c1cccs1)CCC2 416181 VJCYUOUWASEUBH-UHFFFAOYSA-N 325.842 3.707 50 40 EHGB COc1ccc(N(CCC#N)C(=O)/C(C#N)=C\c2cccs2)cc1 4482809 RJNGNGSKPHWRHL-OWBHPGMISA-N 337.404 3.611 50 40 EHGB COc1cc(Br)c(/C=C(\C#N)c2ccccn2)cc1O 5128577 CWEFQYITLOYSRW-IZZDOVSWSA-N 331.169 3.622 50 40 EHGB CC(=O)N(/N=C1\Sc2ccccc2C1=O)c1ccccc1Cl 12561940 AFBWFKYIKLSKNR-VLGSPTGOSA-N 330.796 3.995 50 40 EHGB N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)C(N)=O 408872490 FINVJXARKZRPDE-AWNIVKPZSA-N 347.201 3.965 50 40 EHGB Cc1ccc(NC(=O)N/N=C\c2cccn2-c2ccc(O)cc2)cc1C 409021616 QFTTWDUAXNXQQO-BKUYFWCQSA-N 348.406 3.955 50 40 EHGB COc1ccc(-c2csc(NNC(=O)c3ccc(C)cc3)n2)cc1 1415068 PTJUAUSAXNKKAD-UHFFFAOYSA-N 339.420 3.884 50 40 EHGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)C[C@H](C)O3)c1 2435096 DSEXMRLNRVGMFB-ATTDUZETSA-N 334.375 3.564 50 40 EHGB COC(=O)N/N=C/c1ccccc1OCCSc1ccc(C)cc1 4525968 VIVHWXVTMYRUAA-CPNJWEJPSA-N 344.436 3.856 50 40 EHGB C=CCNC(=O)/C(C#N)=C/c1ccc(-c2nc3ccccc3s2)o1 5013393 VCIRSLZGQHMPFD-ZRDIBKRKSA-N 335.388 3.765 50 40 EHGB COc1ccc(NC2=N[C@@H]3CCC[C@H](Br)[C@@H]3S2)cc1 5611648 OOJRPMYTTWBFHT-XQQFMLRXSA-N 341.274 3.895 50 40 EHGB CCc1cc(SC#N)cc(C)c1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 8752308 ZCWXJEIYQFMJLJ-HUUCEWRRSA-N 344.436 3.736 50 40 EHGB COC(=O)/C(C#N)=C\c1ccc(-c2cccc(Br)c2)o1 33379149 WFFHOPWXCMDOHG-FLIBITNWSA-N 332.153 3.789 50 40 EHGB N#CSCC(=O)Nc1ccc2nc(-c3ccccc3F)oc2c1 216857181 KHDQRSUMCKSHTC-UHFFFAOYSA-N 327.340 3.787 50 40 EHGB CCOc1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2C)cc1 252071 PBFBFLIMYMQSNX-SRZZPIQSSA-N 345.830 3.609 50 40 EHGB O=C(CCc1ccccc1)N/N=C/c1ccc(Br)cc1 253463 NNMIPOQDEWZHJN-LDADJPATSA-N 331.213 3.532 50 40 EHGB C#CCn1c(C)c(/C=N/NC(=O)CCc2ccccc2)c2ccccc21 561438 GDRIUECRFSCXNN-XQNSMLJCSA-N 343.430 3.666 50 40 EHGB Cc1cc(C)cc(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)c1 4691327 GZDXOQCTDLHZSC-WSDLNYQXSA-N 348.402 3.691 50 40 EHGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/Cc1ccccc1 5370957 PNFDLBXMQRWMGQ-DJKKODMXSA-N 337.206 3.717 50 40 EHGB CC[C@@H](C)Oc1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1 6440114 OPSDYHGUHOGZRK-GFCCVEGCSA-N 346.814 3.592 50 40 EHGB Cc1ccc(C)c(OCC(=O)N/N=C/C2=CC[C@H]3C[C@@H]2C3(C)C)c1 20931671 JRHHNXRSYVBZFO-LXGRAFHKSA-N 326.440 3.777 50 40 EHGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)OCCO3)c(C)c1 96663279 LEJMTVNGISVUFG-YBEGLDIGSA-N 334.375 3.620 50 40 EHGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)cc1 408798228 VKLLZOHKCPOGBX-GXDHUFHOSA-N 345.358 3.500 50 40 EHGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(C)cc2)cc1 75011 VMVMSTWQFWOJQV-SFQUDFHCSA-N 335.359 3.684 50 40 EHGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc2ccccc2c1 4724157 HKCKQKIXYGZXSQ-HYARGMPZSA-N 348.402 3.768 50 40 EHGB C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1ccc2ccccc2c1 5003506 OROBFNQISHPKIT-YRXLECQKSA-N 346.386 3.520 50 40 EHGB COc1ccc2c(c1)[C@@H](Br)CC[C@@H](Br)C2=O 5493208 KIVSZMPDGICDRE-WDEREUQCSA-N 348.034 3.871 50 40 EHGB COc1ccc(/C(C#N)=C\c2cc(OC)c(OC)c(OC)c2)cc1 5706366 TWQVQTHANQGUMN-DHDCSXOGSA-N 325.364 3.785 50 40 EHGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1c[nH]c2ccccc12 7988318 UROKFOACOOINHE-LSFURLLWSA-N 331.297 3.951 50 40 EHGB COc1ccc2c(Cl)c(C(=O)N/N=C/c3cccnc3)sc2c1 318050 WGVRAKNWQVTIRF-DJKKODMXSA-N 345.811 3.722 50 40 EHGB C/C(=N\NC(=O)c1nc2ccccn2c1C)c1cc2ccccc2o1 4863946 GYTMRFJCDKAWOO-CIAFOILYSA-N 332.363 3.543 50 40 EHGB COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)c1 8336183 SJTIAFBKSHGTKE-VXLYETTFSA-N 348.855 3.899 50 40 EHGB C/C(=N/NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1ccc(C)cc1 13619140 QIDQNTHARGUGIJ-BKUYFWCQSA-N 336.370 3.678 50 40 EHGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C(\C#N)c1nc2ccccc2[nH]1 100927398 CWHFDDFYBFKDPR-WSYSLRRZSA-N 341.374 3.509 50 40 EHGB N#CSCC(=O)Nc1ccc2oc(-c3ccccc3F)nc2c1 216855786 YDXDXKXVVXMCIR-UHFFFAOYSA-N 327.340 3.787 50 40 EHGB Clc1ccc(-c2cnc3[n+](c2)[C@H](CBr)CS3)cc1 4092862 JJFOMZFNUYFIMP-GFCCVEGCSA-N 342.669 3.731 50 40 EHGB COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 4454723 NAEBEUPPRLTPQL-IBGZPJMESA-N 346.386 3.663 50 40 EHGB COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(C)c1 6202768 KHEMJKILOIIFEA-LPYMAVHISA-N 348.402 3.929 50 40 EHGB Cc1nc2ccccn2c1C(=O)N/N=C/c1cccc2ccccc12 12603807 HCWLMZHFPITHRV-FYJGNVAPSA-N 328.375 3.560 50 40 EHGB N#C/C(=C/c1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)O)c1 408541828 GBQZWBHXFAKDFO-JYRVWZFOSA-N 326.739 3.584 50 40 EHGB CC(C)Oc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 382267 AAFPKZTXCBYOJY-RGVLZGJSSA-N 346.814 3.656 50 40 EHGB O=C(NN(c1ccccc1)c1ccccc1)[C@H]1COc2ccccc2O1 6277278 XPBYKMTWTOEVST-HXUWFJFHSA-N 346.386 3.696 50 40 EHGB COc1ccc(/C=N/NC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 7244613 UIERUPMNLRVGCR-HYARGMPZSA-N 347.418 3.867 50 40 EHGB CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)c1 8846184 BFODZWGDOXOIOX-IBGZPJMESA-N 335.407 3.666 50 40 EHGB COc1ccccc1/C=C(\C#N)C(=O)Nc1nc2ccccc2s1 8974276 FDIQLZGLHBEIET-JLHYYAGUSA-N 335.388 3.851 50 40 EHGB O=C(CCCCl)Nc1ccccc1-c1nc(-c2ccncc2)no1 22463242 AVIDRHQZKXPLSP-UHFFFAOYSA-N 342.786 3.756 50 40 EHGB CCOc1ccc(C(=O)NN)cc1COc1ccc(C(C)(C)C)cc1 224517426 OVKKRRWAODQWME-UHFFFAOYSA-N 342.439 3.565 50 40 EHGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1sccc1C 408923825 KKVORZPRXZOMOI-KPKJPENVSA-N 327.365 3.819 50 40 EHGB Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1cccc(F)c1 408995680 KNRWISZXFRINPI-XKZIYDEJSA-N 335.382 3.997 50 40 EHGB C[C@@H](NC(=O)/C(C#N)=C/C1=Cc2ccccc2OC1)c1ccccc1 516893 NDXQVQJZEAQLLM-IYSPOMMRSA-N 330.387 3.790 50 40 EHGB COc1ccc([C@@H](Cl)CSc2nnnn2-c2ccccc2)cc1 3149870 RMNBJWKVNYRJBI-HNNXBMFYSA-N 346.843 3.743 50 40 EHGB CCCC[C@@H](C(=O)NN)N1c2ccc(Cl)cc2C(C)=CC1(C)C 223228387 LDTFMIZHMPYNBL-INIZCTEOSA-N 335.879 3.891 50 40 EHGB O=C(COc1ccccc1)N/N=C/c1ccc(-c2ccc(F)cc2)o1 408528470 HSNMVJBPGVELLJ-CIAFOILYSA-N 338.338 3.615 50 40 EHGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cccc2ccccc12)OCO3 798120 GZMZYGWDTMAUNL-FQEVSTJZSA-N 342.354 3.787 50 40 EHGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccncc3)c2C)c1 5740585 GTYNTGWOJXGZIT-LPYMAVHISA-N 332.407 3.561 50 40 EHGB C[C@H](NC(=O)/C(C#N)=C\C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 33773754 HBDFVKVTIUNYEY-ISCUKPBZSA-N 347.374 3.935 50 40 EHGB FC(F)(Br)C(F)(F)CCCI 1083806388 SMRGVFSUQOSTDK-UHFFFAOYSA-N 348.903 3.825 50 40 EHGB COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc12 95555 YYAZYBCKNUSIOD-UDWIEESQSA-N 349.346 3.521 50 40 EHGB CSc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 486714 UPBVOKDZXAVMHS-RQZCQDPDSA-N 349.799 3.734 50 40 EHGB COc1ccc(/C=N/N(C)C(=O)Nc2cccc(Cl)c2)cc1OC 1574635 IYSCQTTYBOTLRQ-YBFXNURJSA-N 347.802 3.855 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)c(OC)c1 4550967 OLGLSKSSQYANTA-MHWRWJLKSA-N 336.391 3.866 50 40 EHGB CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1OC 7158006 HNUNXPRXXQGFHE-DRHRHSHTSA-N 342.439 3.696 50 40 EHGB O=C(NN(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCO2 32999489 BUHZROJTUMUPLE-UHFFFAOYSA-N 332.359 3.898 50 40 EHGB CCOc1ccccc1[C@@H]1[C@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 135394 MRKJHEIPOFKYRM-KXBFYZLASA-N 344.418 3.679 50 40 EHGB CC(C)c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 356844 PHBGBHRSASOARC-RGVLZGJSSA-N 330.815 3.993 50 40 EHGB Cc1ccccc1-n1cccc1/C=N/NC(=O)c1ccc(C#N)cc1F 4106984 JBIMZTCRKGXJEC-YDZHTSKRSA-N 346.365 3.560 50 40 EHGB O=C(N/N=C(\c1ccccc1)c1cccnc1)[C@H]1C[C@H]1c1ccccc1 5947692 QJWSRPGCTHQLEV-JWVLWVHESA-N 341.414 3.754 50 40 EHGB Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1C 8334169 YWYHOTHJAAPIRY-GIJQJNRQSA-N 335.860 3.538 50 40 EHGB N#C/C(=C\NC(=S)NC1CCCCC1)c1nc2ccccc2s1 8665289 MJDDCQSCGIAYFT-VAWYXSNFSA-N 342.493 3.958 50 40 EHGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)C[C@H](C)O3)cc1 40018651 WAZJDLWMAPTIEY-IQGJIOQQSA-N 348.402 3.954 50 40 EHGB Cc1cc(-c2ccc(/C=C(\C#N)C(N)=S)o2)cc([N+](=O)[O-])c1C 408541338 ALOGLAUSEJALMT-WUXMJOGZSA-N 327.365 3.665 50 40 EHGB CCOc1ccccc1/C=N/NC(=O)c1cc2ccccc2cc1O 356466 DDRPDXUISBCONY-FYJGNVAPSA-N 334.375 3.708 50 40 EHGB Cc1ccc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)s1 558969 QFTCMOLMYYEPBA-XNTDXEJSSA-N 335.432 3.804 50 40 EHGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/c2ccc(O)cc2)cc1 4724490 JADDGTMWLWPGFM-TUVRHOMCSA-N 336.435 3.944 50 40 EHGB O=C(Cc1ccc(F)cc1)N/N=C/c1cc(Cl)cc(Cl)c1O 6687344 YREFNZPSLVYSGI-UFWORHAWSA-N 341.169 3.531 50 40 EHGB Cc1cc(C)nc(NNC(=O)c2ccccc2Nc2ccccc2)n1 11274125 PZJNPYKOMHDOOX-UHFFFAOYSA-N 333.395 3.594 50 40 EHGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 15220527 RYCIHLZCPBULJA-LCYFTJDESA-N 342.782 3.903 50 40 EHGB CCN1c2ccc(/C=N/NC(=O)c3ccccn3)cc2C(C)=CC1(C)C 208508733 QINWXAAPANVWLH-OEAKJJBVSA-N 348.450 3.867 50 40 EHGB CCOC(=O)[C@H](C#N)C1=C(C(SC)=C(C#N)C#N)CCCCC1 5717540 AVGZNBOBYYDKGM-OAHLLOKOSA-N 329.425 3.614 50 40 EHGB C[C@H](I)CC(F)(F)C(F)(F)Br 627281263 BDIJCGIVGYSBOS-VKHMYHEASA-N 348.903 3.823 50 40 EHGB C/C(=N\NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1ccccc1 130433 BOCJUZKAJUYTBI-OQKWZONESA-N 346.434 3.702 50 40 EHGB CC(C)c1ccc2c(c1)/C(=N/NC(=O)Cc1ccc(F)cc1)C(O)=N2 4950592 BAPRTHZENPZNMN-UHFFFAOYSA-N 339.370 3.614 50 40 EHGB C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 6209841 RKUGWHWSSYSXMS-QGOAFFKASA-N 330.387 3.861 50 40 EHGB N#C/C(=C\c1ccccc1OCC(=O)O)c1nc2ccccc2s1 7156610 KXSKJJHXPRXPSH-UKTHLTGXSA-N 336.372 3.824 50 40 EHGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)s1)C(=O)NC1CC1 27057388 BWSNHPYOZBPCDZ-FMIVXFBMSA-N 339.376 3.509 50 40 EHGB Cn1c(SCCCCl)nnc1-c1cccc(Cl)c1[N+](=O)[O-] 228921868 WGKQGHPKXZGSHR-UHFFFAOYSA-N 347.227 3.765 50 40 EHGB N#Cc1ccc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)cc1 46444 JRRJJKCKHQCOBQ-HZHRSRAPSA-N 325.371 3.989 50 40 EHGB COc1ccc(C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1OC 1457943 AHGULZKKGNDPJN-UDWIEESQSA-N 326.396 3.591 50 40 EHGB CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3ccc(O)cc32)cc1 5707783 VDTSDIJKBVWZFG-LJQANCHMSA-N 336.391 3.789 50 40 EHGB C/C(=N\NC(=O)c1cc(C)n(-c2ccccc2)c1C)c1ccncc1 7244617 SLFULPGUKHLEKE-PXLXIMEGSA-N 332.407 3.643 50 40 EHGB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCSSCC1 89591127 PQLOISKETFWGMK-LLVKDONJSA-N 331.890 3.639 50 40 EHGB NC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 565974 FTMBQWDPPXSYPO-UFWORHAWSA-N 338.194 3.575 50 40 EHGB N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@H]1c1ccccc1 4923216 SAQIKFAPKCJYLV-KRWDZBQOSA-N 347.443 3.906 50 40 EHGB CN(c1ccccc1)c1ccc(/C=N/NC(=O)c2ccncc2)cc1 33748576 OHNBHMJVVINITR-PXLXIMEGSA-N 330.391 3.613 50 40 EHGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N(C)C)cc1Cl 59334141 FHCSFKOCBAEXKK-WDZFZDKYSA-N 325.195 3.553 50 40 EHGB COc1ccc(N/C=C(\C=C\C#N)S(=O)(=O)c2ccccc2)cc1 100363569 CYNIJVZHTUDTHY-CHWMWHQTSA-N 340.404 3.502 50 40 EHGB COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)O)cc1 408583018 QXXUWUPECFZYHK-RIYZIHGNSA-N 343.766 3.876 50 40 EHGB Cc1ccc(CNC(=O)/C(C#N)=C\c2c[nH]nc2-c2ccccc2)cc1 5728571 WVFBFWIPRMUQAE-WQRHYEAKSA-N 342.402 3.609 50 40 EHGB COc1cccc2cc(C(=O)N/N=C/c3cc(C)c(O)c(C)c3)oc12 8336047 LQETVJBJDQEZRV-KEBDBYFISA-N 338.363 3.528 50 40 EHGB CCO[P@@](=O)(c1ccccc1)c1ccc(C(C)(C)C)c(O)c1O 100245588 CKRTWEOZIABGHY-QHCPKHFHSA-N 334.352 3.661 50 40 EHGB CCCCCCCC(=O)NNS(=O)(=O)c1ccc2ccccc2c1 100961320 VOPGNSZOXLLALG-UHFFFAOYSA-N 348.468 3.510 50 40 EHGB N#C/C(=C\c1ccccc1C(=O)O)C(=O)Nc1cccc(Cl)c1 408921846 CLEHRJQCQUIQOO-XYOKQWHBSA-N 326.739 3.584 50 40 EHGB CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)C[C@H]1CBr 952958968 XBLBLVAIYXPQJB-YUMQZZPRSA-N 332.160 3.569 50 40 EHGB Cc1ccc(C(=O)N/N=C/C=C/c2cccc([N+](=O)[O-])c2)c(Cl)c1 4827452 AXBTWSHRKKZJRX-WSJMPXRGSA-N 343.770 3.986 50 40 EHGB C/C(=N\NC(=O)c1ccc(COc2ccccc2)cc1)c1ccncc1 4964581 KTDLTNWHHXVJKQ-XQNSMLJCSA-N 345.402 3.815 50 40 EHGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)cc2)cc1C 8220552 JWWHLUWSYGOXKK-SFQUDFHCSA-N 331.375 3.752 50 40 EHGB N#C/C(=C/c1ccc(Br)cc1)c1nnc2n1CCCCC2 33575469 XSOKIAHIMRLVMX-RAXLEYEMSA-N 343.228 3.831 50 40 EHGB CCOC(=O)c1c(NC(=O)CCl)sc(C)c1C[C@H](C)CC 3336129 BSWYNGSWMXLUNC-SECBINFHSA-N 331.865 3.999 50 40 EHGB CCc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)NC2CCCCC2)cc1 5526036 IAVSLRNYSAKJDH-ATVHPVEESA-N 348.450 3.995 50 40 EHGB Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C#N 5529364 BDTMFYDGKLQVCO-UHFFFAOYSA-N 342.358 3.534 50 40 EHGB O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccs1 5584348 PVIURKBTKGCSQD-LICLKQGHSA-N 341.348 3.680 50 40 EHGB O=C(CCc1ccccc1)N/N=C/c1cccc(Br)c1 5602984 SSAWGZGZYPJERL-LDADJPATSA-N 331.213 3.532 50 40 EHGB COc1ccc(S(=O)(=O)/C(C#N)=C/c2c[nH]c3ccccc23)cc1 80345433 UNIMYUQCMJUKJI-MHWRWJLKSA-N 338.388 3.515 50 40 EHGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC#N)cc1C 408789002 GZPMMUAXTCDESA-SFQUDFHCSA-N 331.375 3.752 50 40 EHGB N#C/C(=C/c1cc(Cl)cc(Cl)c1O)C(=O)NC1CCCC1 409190894 AVCYOZBEGHNLSI-YHYXMXQVSA-N 325.195 3.665 50 40 EHGB COCOC(C)(C)[C](C)CP(=O)(c1ccccc1)c1ccccc1 1560406741 SVEKPXIYAYZMIX-UHFFFAOYSA-N 345.399 3.994 50 40 EHGB O=C(/C=C/c1ccccc1)NNC(=O)c1ccc(-c2ccccc2)cc1 268060 USDQUDXFAPFPIM-LFIBNONCSA-N 342.398 3.828 50 40 EHGB CC(=O)N/N=C/c1c(OCc2ccccc2C#N)ccc2ccccc12 4545355 HOWBEOISBXMSAN-YDZHTSKRSA-N 343.386 3.760 50 40 EHGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)cc1 6518005 LEFSCMNIKVIHFO-SSZFMOIBSA-N 335.407 3.697 50 40 EHGB C[C@H]1CC=C2[C@@H](C1)[C@H](c1ccccc1F)C(C#N)=C(N)C2(C#N)C#N 34917044 IZDFGUXRWGVVCH-WRSAYESZSA-N 332.382 3.665 50 40 EHGB CC(=O)Nc1cccc([C@H](C)NC(=O)NNc2ccccc2Cl)c1 45718818 FUQDVUGFVZRQFN-NSHDSACASA-N 346.818 3.686 50 40 EHGB COc1ccc(-c2nc3cc(NC(=O)CSC#N)ccc3o2)cc1 216856193 RJOBJWBRXYCVHK-UHFFFAOYSA-N 339.376 3.656 50 40 EHGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OCC(=O)O 408580900 SKDWMRCHVMIYGR-RIYZIHGNSA-N 343.766 3.876 50 40 EHGB COc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)c1 409239628 ZTCLQRMALDYHJK-RGEXLXHISA-N 334.419 3.660 50 40 EHGB CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1cccc(F)c1 265011 HJCCFFFWSXIQCY-QGZVFWFLSA-N 347.349 3.659 50 40 EHGB Cc1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1 306045 CHUGSFRTOMNSFM-UHFFFAOYSA-N 330.387 3.737 50 40 EHGB CCc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1 550931 IBWKXZMZVBQRLF-YBFXNURJSA-N 339.420 3.633 50 40 EHGB CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(N)ccc21 8846186 MPSFVQKUYKVZDH-IBGZPJMESA-N 335.407 3.666 50 40 EHGB C=CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccccc1C 9201703 SVHCJKPLKNGYSQ-UDWIEESQSA-N 328.799 3.977 50 40 EHGB C/C(=N/NC(=O)c1cc(C)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 13136909 QVMPTNLBGQMUKV-BKUYFWCQSA-N 348.362 3.605 50 40 EHGB CN(C)C(=O)/C(C#N)=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 33305931 YPVJSNRSFQNQCF-YFHOEESVSA-N 345.742 3.503 50 40 EHGB C/C(=N\NC(=O)CSCc1cccc(Cl)c1)c1ccccc1O 59473407 BPTMUHISOBSZNO-XDHOZWIPSA-N 348.855 3.819 50 40 EHGB Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccccc3C#N)o2)cc1 195752260 DMAWBMWCLXPGIQ-XKZIYDEJSA-N 329.359 3.891 50 40 EHGB Cc1ccc(NNC(=O)/C=C/c2cnc(-c3ccccc3)nc2)cc1 408534221 UHDSCDJNMGAGRX-FMIVXFBMSA-N 330.391 3.609 50 40 EHGB O=C(N/N=C/c1ccccc1O)C(c1ccccc1)c1ccccc1 349055 TUXCXXLSSHUCAE-PXLXIMEGSA-N 330.387 3.674 50 40 EHGB C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 4306500 BSMZMZKBWJEIPS-PIQUAJRNSA-N 337.335 3.857 50 40 EHGB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCl)c2C(=O)O)C1 4910609 HCMPTZZCDROTOV-MRVPVSSYSA-N 329.849 3.775 50 40 EHGB CC1=C(/C=C/C(C)=N/NC(=O)COc2cc(C)on2)C(C)(C)CCC1 7973898 FDBUUQNHPBUYTE-JWEYOLHDSA-N 345.443 3.937 50 40 EHGB O=C(N/N=C\c1c(F)c(F)c(F)c(F)c1F)c1ccc(Cl)cc1 13512387 RSNCLYZFBDCNQJ-SQFVCTCFSA-N 348.658 3.799 50 40 EHGB CSc1ccc(/C=N\NC(=O)COc2cccc(C)c2C)cc1 30843230 YDMQEQDZIFAXNB-ODLFYWEKSA-N 328.437 3.554 50 40 EHGB COc1ccccc1N(C(=O)CCCl)[C@@H](C#N)c1ccccc1 2027533 VEQLLCVIXHXZFT-INIZCTEOSA-N 328.799 3.922 50 40 EHGB CCCOc1cccc(/C=N/NC(=O)COc2ccccc2Cl)c1 2102210 KETCYUXCQKNSRP-UDWIEESQSA-N 346.814 3.658 50 40 EHGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 409130469 HQBAITIIOCMJDL-VBEHJTROSA-N 343.408 3.534 50 40 EHGB CN(C)c1ccc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1 5611193 OGIQLQCAAOQMEL-VXLYETTFSA-N 336.222 3.823 50 40 EHGB CC1=C(C#N)C(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2)N1 12416466 OQJRJOYWAQVOOL-UHFFFAOYSA-N 333.235 3.697 50 40 EHGB COc1cc(/C=C(/C#N)c2cccc(C#N)c2)c([N+](=O)[O-])cc1OC 17070579 QQRCWQUSGYAZIT-CHHVJCJISA-N 335.319 3.548 50 40 EHGB Cc1cc(Cl)ccc1OCCCC(=O)N/N=C1/C[C@@H]2C=CC[C@H]12 6270169 MBBDAZBEWAXJNN-XPNVSNFHSA-N 332.831 3.876 50 40 EHGB C/C(=N/NC(=O)CSc1nc2ccccc2o1)c1ccc(F)cc1 548510 SRIMYJOZCWANBE-JAIQZWGSSA-N 343.383 3.599 50 40 EHGB CN(C)c1cccc(C(=O)N/N=C2/CCSc3ccc(F)cc32)c1 33503848 FWHKUBKTPIEVHW-SILNSSARSA-N 343.427 3.522 50 40 EHGB C=CCn1cc(/C=N/NC(=O)CCc2ccccc2)c2ccccc21 561427 IZYOYNCBCCAGOT-PXLXIMEGSA-N 331.419 3.910 50 40 EHGB O=C(N/N=C/c1ccc(O)c(Cl)c1)c1cccc(C(F)(F)F)c1 4544621 CBNWMEAEXLUUSM-DNTJNYDQSA-N 342.704 3.828 50 40 EHGB Cc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1C 409022250 KYDNZEBPHSBQAP-OCKHKDLRSA-N 329.787 3.805 50 40 EHGB N#CC1=C(N)OC2=C(CCCC2=O)[C@@H]1c1ccccc1C(F)(F)F 125812 ACBGSTNSBCNUAA-AWEZNQCLSA-N 334.297 3.520 50 40 EHGB ClCCN(CCCl)c1ccc(CCN2CCCCC2)cc1 1763139 ISMMHLJIYSPFKG-UHFFFAOYSA-N 329.315 3.999 50 40 EHGB Cc1ccc(C(=O)N/N=C(\c2ccccc2)c2ccncc2)cc1C 2740138 LYPGYCYLDJQTLW-BSYVCWPDSA-N 329.403 3.881 50 40 EHGB O=NN(CCCl)C(=O)Nc1ccc2oc(=O)c3ccccc3c2c1 5031163 IIKVRPXUGQQSRJ-UHFFFAOYSA-N 345.742 3.700 50 40 EHGB N#CC(=C1CCCCC1)c1nc(-c2ccc(O)c(C(N)=O)c2)cs1 7846564 VJERDPKUKBPJII-UHFFFAOYSA-N 339.420 3.856 50 40 EHGB CCOc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1OCC 30817683 MYAKCTSRLZWNNL-NDENLUEZSA-N 346.814 3.901 50 40 EHGB Cc1cc(C)nc(NNC(=O)C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)n1 32889332 FENGPBPUYOIIAK-KOCGSPDRSA-N 328.460 3.533 50 40 EHGB Cn1cccc1C(=O)N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21 84321701 HIIBRHVOUHKWAG-OZNYCYRCSA-N 345.402 3.683 50 40 EHGB Cc1ccccc1-n1nc(C(=O)NN)cc1-c1ccc2ccccc2c1 408726700 SSZNBCJOFIEJCG-UHFFFAOYSA-N 342.402 3.604 50 40 EHGB C/C(CCc1ccccc1)=N\NC(=O)c1cccc([N+](=O)[O-])c1C 408779394 WCYSSDGWQFMBGN-CPNJWEJPSA-N 325.368 3.642 50 40 EHGB CCNC(=O)/C(C#N)=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 408810728 JQNBVAPRKBIWBR-LFIBNONCSA-N 347.393 3.872 50 40 EHGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1O[C@@H](C)CC 409369575 POILWFTWWDBJFY-YSKWHIJTSA-N 342.439 3.792 50 40 EHGB O=C(CSc1ccccc1)N/N=C/c1c(O)ccc2ccccc12 59152623 PMSVDIOJWBWUGV-UDWIEESQSA-N 336.416 3.788 50 40 EHGB CN(C)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95731622 BJBBSNKEOYUITM-UHFFFAOYSA-N 334.423 3.542 50 40 EHGB in-vitro COc1ccc(/C=N\NC(=O)[C@]23[C@H]4CCC[C@@H]2[C@@]43c2ccccc2)cc1 245226773 KPWKKTIPZJAQLH-WLDJSVEDSA-N 346.430 3.513 50 40 EHGB CC(C)Oc1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1 408719336 BWIWNLQQSMKKFI-UDWIEESQSA-N 342.464 3.857 50 40 EHGB O=C(NNC(=O)c1cc(F)ccc1-c1ccccc1)c1cccs1 44282641 QHODBCXTUITMGE-UHFFFAOYSA-N 340.379 3.629 50 40 EHGB Cc1cc(C(=O)NNC(=O)Cc2ccc3ccccc3c2)c(C)s1 53605451 BEQMYICTXVJVCS-UHFFFAOYSA-N 338.432 3.522 50 40 EHGB CCOc1cccc(/C=N\NC(=O)c2cccc(Br)c2)c1 408588611 JDHBRBKZVZZNMD-WQRHYEAKSA-N 347.212 3.612 50 40 EHGB CCN(CC)c1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)cc1 348394 RCDICQQSDPZLSM-LPYMAVHISA-N 334.423 3.778 50 40 EHGB CCOC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 509835 JAJDBBSBXYYDEV-JXMROGBWSA-N 346.726 3.978 50 40 EHGB Cc1ccc(-n2cccc2/C=N/NC(=O)c2cccnc2)cc1Cl 564210 IVIBWCNTPZFSPC-CIAFOILYSA-N 338.798 3.598 50 40 EHGB COc1ccc2c(c1)[C@H](Br)CC[C@@H](Br)C2=O 5493207 KIVSZMPDGICDRE-GHMZBOCLSA-N 348.034 3.871 50 40 EHGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)c1ccc(F)cc1 8812144 YRLLSYAOALOECM-SRZZPIQSSA-N 326.302 3.989 50 40 EHGB CCCOc1ccc(/C=N/NC(=O)CSc2ccccc2)cc1 408855304 CFQLQTRJPROKRI-CPNJWEJPSA-N 328.437 3.718 50 40 EHGB C#CCOc1ccc(OC)cc1/C=C(/C#N)c1ccc2c(c1)OCO2 409359904 CIVVBKZMGNSUPP-SXGWCWSVSA-N 333.343 3.500 50 40 EHGB CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)o1 17072508 QGGJDIVZZKHTJV-DHZHZOJOSA-N 349.312 3.910 50 40 EHGB C/C(=N/NC(=O)COc1ccc(C(C)(C)C)cc1)c1cccs1 35146742 NZIUTDAPXJNEQK-UYRXBGFRSA-N 330.453 3.965 50 40 EHGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2F)cc1 83261077 VWOGLDHGRZAJSU-SDNWHVSQSA-N 339.322 3.515 50 40 EHGB CCOC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1C#N 408924939 RUZGJHLCDDSOCQ-WOJGMQOQSA-N 332.359 3.607 50 40 EHGB Cc1ccc(C)c(CC(=O)N/N=C/c2c(O)ccc3ccccc23)c1 409363576 MJNYCKBHUJFJIE-LPYMAVHISA-N 332.403 3.855 50 40 EHGB CCc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1ccc(C)cc1 4401822 KDQBQJJZJGKTNR-PXLXIMEGSA-N 337.423 3.692 50 40 EHGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)no2)ccc1O 7212226 YBXYEKLOLCNCQW-OQLLNIDSSA-N 333.347 3.823 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1O 16439835 OIQQTGCGNUIJLA-KPKJPENVSA-N 328.755 3.600 50 40 EHGB CC(C)CC(=O)NN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 24519983 XVDBOASLGNTWGY-FQEVSTJZSA-N 349.434 3.759 50 40 EHGB N#C/C(=C/c1ccco1)C(=O)NCc1ccc(-c2cccnc2)cc1 98052846 SDUQVVAJSRSYBM-WQRHYEAKSA-N 329.359 3.565 50 40 EHGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCC(=O)O 409393933 TWAWALNFVRCJPO-NVNXTCNLSA-N 341.338 3.752 50 40 EHGB N#CC1=C(N)Oc2cc(O)cc(O)c2[C@@H]1c1c(Cl)cccc1Cl 408173 UGFKRDOAXVWHIB-ZDUSSCGKSA-N 349.173 3.623 50 40 EHGB N#CC1=C(NC(=O)c2ccccc2)CC[C@](C#N)(c2ccccc2)C1 1025929 LSGWOPDHOBCEKB-NRFANRHFSA-N 327.387 3.840 50 40 EHGB Cc1cccc(NC(=S)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1 4561337 HFAOBHGXWHOVFT-UHFFFAOYSA-N 343.496 3.529 50 40 EHGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccccc2)o1 4814083 IZYKQLDZPDAPNJ-UDWIEESQSA-N 349.346 3.927 50 40 EHGB CCC[C@@H](C(=O)NNC(=O)c1cccc(Cl)c1)c1ccccc1 6450396 OTSKTMYVBHLBKL-MRXNPFEDSA-N 330.815 3.685 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2cccc(C)c2)c(OCC)c1 6961749 SVFQJOLBKXNYEM-DEDYPNTBSA-N 326.396 3.556 50 40 EHGB CCCCCC(=O)Nc1cccc(NC(=O)CBr)c1 35605413 WTWBFHIFDZAMCB-UHFFFAOYSA-N 327.222 3.539 50 40 EHGB N#C/C(=C/c1cnc(N2CCCC2)nc1)c1nc2ccccc2s1 44013835 CKLNSNVGOOYJGT-ZROIWOOFSA-N 333.420 3.751 50 40 EHGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 58927307 WRPMHGSHMVRGHY-HYARGMPZSA-N 347.418 3.867 50 40 EHGB O=C(N/N=C1\CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1Cl 100599790 MOBGYJCAIDFKSP-KNTRCKAVSA-N 343.770 3.719 50 40 EHGB CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccncc3)ccc21 4951623 PFMGLGSCPSYTQB-OEAKJJBVSA-N 342.402 3.973 50 40 EHGB O=C1C=C(NNC(=O)c2cccc(Cl)c2)C[C@@H](c2ccccc2)C1 408751547 XBQVOEHMUSFEJA-OAHLLOKOSA-N 340.810 3.605 50 40 EHGB COc1cc(OC)cc(C(=O)N/N=C/c2cccc3ccccc23)c1 581707 FGWNZTPDAGBVTC-FYJGNVAPSA-N 334.375 3.621 50 40 EHGB C[Si](C)(C)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 169806629 VAVBDMHNNUKQLG-UHFFFAOYSA-N 336.226 3.833 50 40 EHGB C=CCc1ccccc1OCC(=O)N/N=C/c1cccc(Cl)c1 33066 MISLHGKCZWPQBE-UDWIEESQSA-N 328.799 3.598 50 40 EHGB O=S(=O)(N[C@@H](CCCl)c1ccccc1)c1ccc(Cl)cc1 4200390 DNBBOVLOJJLSAW-HNNXBMFYSA-N 344.263 3.989 50 40 EHGB Cc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)c(O)c1 23411013 YZCSRFDHUXJONR-CIAFOILYSA-N 340.423 3.527 50 40 EHGB Br[C@H]1C[C@]23CC[C@]2(CSC3)C[C@H]1Br 101037792 JVPIKUYAMFZXQP-YNFQOJQRSA-N 326.097 3.821 50 40 EHGB N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ccc2c(c1)OCCO2 3560389 UMCXOIIYXJRFNL-UKTHLTGXSA-N 340.766 3.657 50 40 EHGB Cc1ccccc1C(=O)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 9200966 GGZMNWUMFZUBCD-CIAFOILYSA-N 348.358 3.717 50 40 EHGB O=C(CBr)c1c(F)ccc(Cl)c1Br 258830794 HXGWQSWCTJAKLR-UHFFFAOYSA-N 330.378 3.819 50 40 EHGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1 408760319 WPVDNQREUIOZTN-VBKFSLOCSA-N 333.391 3.501 50 40 EHGB COc1c(Cl)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1Cl 409192307 ARDHYOIRJAEWJJ-WDZFZDKYSA-N 339.222 3.968 50 40 EHGB Cc1ccsc1[C@H]1C(C#N)=C(N)Oc2[nH]c(-c3ccccc3)nc21 204645 RKUGYJCTILBCDR-ZDUSSCGKSA-N 334.404 3.665 50 40 EHGB CCOc1cc2c(cc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1)OCO2 6961685 IESWWVLKRDLFJU-AUWJEWJLSA-N 338.319 3.786 50 40 EHGB CC(=O)N/N=C/c1c(Br)c(C)n(-c2ccc(C)cc2)c1C 20243813 KRFPIFITDGTMBX-GIJQJNRQSA-N 348.244 3.635 50 40 EHGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 409130467 HQBAITIIOCMJDL-FHXOWUIVSA-N 343.408 3.534 50 40 EHGB COc1cccc(C(=O)N(NC(=O)c2ccccc2)c2ccccc2)c1 59910 YFQBNBCFGBVFRD-UHFFFAOYSA-N 346.386 3.687 50 40 EHGB CCCCC(O)(CCCC)C(=O)N/N=C/c1ccc(OCC)cc1 2304819 IILJVIOXKBLJPZ-HMMYKYKNSA-N 334.460 3.647 50 40 EHGB CCCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc(CC)cc2)C1=O 5021825 WEAOVULHBXPFFR-AQTBWJFISA-N 337.423 3.554 50 40 EHGB Cc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)o1 14152218 WUUBFKVZGAHRES-XYOKQWHBSA-N 337.404 3.946 50 40 EHGB Cc1nc2sc(-c3ccccc3)cc2c(=O)n1CCBr 33500582 JZNXCBYAEBGWPY-UHFFFAOYSA-N 349.253 3.828 50 40 EHGB O=C(N/N=C/c1ccc(F)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 33600810 YOPRNOKGICQDJK-GIJQJNRQSA-N 343.339 3.713 50 40 EHGB COc1cccc(C(=O)N/N=C/c2cc(C(C)C)c(OC)cc2C)c1 59167318 DURHHTOZIPWHMI-CIAFOILYSA-N 340.423 3.900 50 40 EHGB COc1ccc(Cl)cc1/C=C(\C#N)C(=O)N[C@H]1CCCC[C@H]1C 408818979 WBNIVNJFAJXQOT-HAIRLQBDSA-N 332.831 3.950 50 40 EHGB N#CC(C(=O)COc1ccccc1Cl)=C1Nc2ccccc2N1 3268872 PHWJLOCSCIBOFW-UHFFFAOYSA-N 325.755 3.561 50 40 EHGB COc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1OC 15219384 NFFITPMGYLEJFM-YBEGLDIGSA-N 336.391 3.866 50 40 EHGB O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 38191425 JRBCEJKUQONKSG-DXVNTNFESA-N 329.743 3.677 50 40 EHGB Cc1cc(NC(=O)N/N=C\c2cccs2)ccc1Br 408903943 BMIODEWINWFYRH-NVNXTCNLSA-N 338.230 3.975 50 40 EHGB CCc1ccc(/C(C)=N/NC(=O)CNc2ccc(Cl)cc2)cc1 409359260 AWCQJTSHOUBWIL-FYJGNVAPSA-N 329.831 3.855 50 40 EHGB Cc1cc(C(C)(C)C)ccc1OCC(=O)N/N=C/c1ccc(F)cc1 349054 FWADKEHWYMSJTG-WSDLNYQXSA-N 342.414 3.961 50 40 EHGB C=CCn1cc(/C=N/NC(=O)c2ccc(OCC)cc2)c2ccccc21 20764140 ITSRHDMAAQQBGL-HYARGMPZSA-N 347.418 3.990 50 40 EHGB Cc1c(C(=O)NNc2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] 45481067 HKKVDGKWMBILMA-UHFFFAOYSA-N 339.273 3.679 50 40 EHGB BrC(Br)C1[C@@H]2CCC[C@@H]1C2Br 100876712 DSNGPYDYZPFEEQ-USEPMLCBSA-N 346.888 3.912 50 40 EHGB N#C/C(=C\c1ccccc1Br)C(=O)NCc1ccccc1 566752 BHNPWTQUVRQJIM-XNTDXEJSSA-N 341.208 3.672 50 40 EHGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1OC 5322040 IQZPIAMJIWHFRP-HXUWFJFHSA-N 349.434 3.760 50 40 EHGB C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1ccccc1Cl 5721550 SZGKDDFPNZWKOH-ORPVNXHJSA-N 337.206 3.911 50 40 EHGB CCOC(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 8079034 DZCIEDBGAHJZMR-YBFXNURJSA-N 332.787 3.999 50 40 EHGB Cc1ccsc1/C=N\NC(=O)COc1cc(Cl)ccc1Cl 17118667 UBWQDMYKAZKDMA-IDUWFGFVSA-N 343.235 3.892 50 40 EHGB COc1cccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)c1 59473802 AXWKDYJUYYCMOT-VXLYETTFSA-N 348.855 3.732 50 40 EHGB COc1cccc(/C=N/NC(=O)[C@@H](C)Nc2ccc3ccccc3c2)c1 31107 YGHDTSNVYSUUCF-QQHUYRGFSA-N 347.418 3.799 50 40 EHGB Cc1cccc(C)c1OCC(=O)N/N=C/c1c(O)ccc2ccccc12 59173 FEHBTOZIMWCQOJ-WSDLNYQXSA-N 348.402 3.691 50 40 EHGB O=CC1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2Cl)CC1 3195485 QSUVTLGAORQELD-UKTHLTGXSA-N 338.234 3.956 50 40 EHGB COC(=O)[C@H](C#N)C1=C(C(SC)=C(C#N)C#N)[C@H](C)CC(C)(C)C1 5527951 SNAXQATUHXPAEC-BXUZGUMPSA-N 343.452 3.716 50 40 EHGB N#C/C(=C\c1cccc(Br)c1)c1nnc2n1CCCCC2 7158897 KXRYCNDIHXCSIE-UKTHLTGXSA-N 343.228 3.831 50 40 EHGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(C)cc1 8043319 MTMVRYHUTHGCEB-HZHRSRAPSA-N 342.398 3.924 50 40 EHGB C/C(=N\OCC(=O)C(C#N)=C1Nc2ccccc2N1)c1ccc(C)cc1 16291486 SLGMXUNVUZPLGE-ZVHZXABRSA-N 346.390 3.578 50 40 EHGB COCCCOc1ccc2nc(NC(=O)CCCCl)sc2c1 20133634 CMZYMUKZUMFSSF-UHFFFAOYSA-N 342.848 3.669 50 40 EHGB CCCCOc1ccc(/C=N\NC(=O)[C@@H](OC)c2ccccc2)cc1 33921739 DWWSVDYYIVDYSH-SLOMDMAXSA-N 340.423 3.703 50 40 EHGB N#C/C(=C/c1cccc(O)c1)C(=O)Nc1ccc(Br)cc1 408744902 NYOMRBCJEUTGHH-WQLSENKSSA-N 343.180 3.700 50 40 EHGB N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)C(=O)Nc1ccccc1 409068011 SFZPHAYBXADGTL-VBKFSLOCSA-N 335.382 3.972 50 40 EHGB CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)ccc1O 409392360 PGELUSKNALIGRV-JYRVWZFOSA-N 335.363 3.740 50 40 EHGB CN(c1ccccc1)c1ccc(/C=N/NC(=O)c2ccc(N)cc2)cc1 3067950 RPOHHFAOBRPVGV-HZHRSRAPSA-N 344.418 3.801 50 40 EHGB COc1ccc(N2[C@@H](Cl)C(=O)[C@@H]2c2c[nH]c3ccccc23)cc1 5550139 LJUXUWDXIRPKNI-FUHWJXTLSA-N 326.783 3.872 50 40 EHGB Cc1ccccc1N1C(S)=C(C#N)C(=O)NC12CCC(C)CC2 36635915 UJYQBDDCDMHPQW-UHFFFAOYSA-N 327.453 3.503 50 40 EHGB O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1Cl 69812788 MCIKQOURDVBLLU-UHFFFAOYSA-N 349.177 3.800 50 40 EHGB CCn1c(C)cc(/C=N/NC(=O)c2cccc(Br)c2)c1C 409104347 DEFXBQCXYKLXQA-VCHYOVAHSA-N 348.244 3.651 50 40 EHGB Cc1ccc(C(O)(C(=O)NNc2ccccc2)c2ccc(C)cc2)cc1 333933 PXZHLULYLDGIIZ-UHFFFAOYSA-N 346.430 3.683 50 40 EHGB O=C(N/N=C(\C(=O)c1ccco1)c1ccco1)c1ccc(Cl)cc1 487289 VTEOBNHNUSETNK-CYVLTUHYSA-N 342.738 3.543 50 40 EHGB CC(C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)cc1 4506770 YLOVTMWZBRZOGG-YBFXNURJSA-N 345.402 3.569 50 40 EHGB CCOc1ccccc1/C=N/NC(=O)c1cccc(Br)c1 5466946 GSYHDOZFAVCYRA-WOJGMQOQSA-N 347.212 3.612 50 40 EHGB CN1/C(=C(\C#N)C(=O)c2nc3ccccc3s2)Nc2ccccc21 11617385 JQPXNNOZQYLGMV-GZTJUZNOSA-N 332.388 3.776 50 40 EHGB Cc1ccc2nc(NC(=O)[C@@H](Br)C(C)C)sc2c1 19803662 PZUNOGIAIWFSMA-NSHDSACASA-N 327.247 3.963 50 40 EHGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C[C@H]2C=CC[C@@H]12 96570009 HRBVLWOKJJRCCI-RLEOXHOFSA-N 339.222 3.829 50 40 EHGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc2ccccc2[nH]1 500395 UMWFWUMIUALLSE-QGZVFWFLSA-N 333.391 3.619 50 40 EHGB COc1ccc(C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1OC 3376732 GWRZJKZKPGAAFK-FYJGNVAPSA-N 340.423 3.765 50 40 EHGB CSc1ccc([C@@H]2OC3=C(C(=O)CC(C)(C)C3)C(N)=C2C#N)cc1 4095134 ZMQIGBIZLSIPQJ-SFHVURJKSA-N 340.448 3.859 50 40 EHGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc3ccccc3[nH]2)cc1 4599396 LGJJVQLUXOTZFM-KGENOOAVSA-N 334.423 3.778 50 40 EHGB CCCCCC[C@H]1/C(=N\NC(=O)c2ccccc2)CC[C@@H]1C(=O)OC 5164548 BATQKXRPAFSNEO-GRWMDVHPSA-N 344.455 3.942 50 40 EHGB Cc1ccc(C)c(NC(=O)NNC(=O)c2cc3ccccc3cc2O)c1 15934251 AFFRUAQEXRFBTN-UHFFFAOYSA-N 349.390 3.629 50 40 EHGB COc1cccc(OC)c1C(=O)/C(C#N)=C1\Nc2ccccc2S1 100815951 UALBIPHKCZPPCZ-WOJGMQOQSA-N 338.388 3.839 50 40 EHGB CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)c2ccc(C#N)cn2)C1 585125504 VTZBGJIFLUVIHB-OAHLLOKOSA-N 345.519 3.580 50 40 EHGB Cc1cccc(NC(=S)NNC(=O)c2ccccc2Cl)c1C 5274167 ACOVMMUQNRYUQB-UHFFFAOYSA-N 333.844 3.588 50 40 EHGB Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)NCc2ccccc2)cc1 5728616 LTCOTUPKLLIJJW-WQRHYEAKSA-N 342.402 3.609 50 40 EHGB COc1cc(OC)c(OC)cc1/C=C(/C#N)c1nc2ccc(C)cc2[nH]1 50704911 XPNNASTZMWEANT-ZSOIEALJSA-N 349.390 3.961 50 40 EHGB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 408812817 PPGURHODFMPCOX-RVDMUPIBSA-N 349.346 3.705 50 40 EHGB CO[Si](CCCCCCCCCCC1OCCO1)(OC)OC 627274934 FWAFKLOZAKNYLB-UHFFFAOYSA-N 334.529 3.748 50 40 EHGB Nc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1 360282 JTKALYPENYEZNG-UHFFFAOYSA-N 330.602 3.986 50 40 EHGB C/C(=N/NC(=O)COc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 376692 HUWVZGFNFHKCCR-BKUYFWCQSA-N 342.826 3.748 50 40 EHGB CCN(CC)C(=O)CSC1=C(C#N)[C@H](c2cccs2)C=C(C)N1 495509 NNJJJLNEZYAGCG-CYBMUJFWSA-N 347.509 3.675 50 40 EHGB N#CC1=C(N)Oc2ccc3ccccc3c2[C@H]1c1ccc([N+](=O)[O-])cc1 584821 WPTSSFYTMONOHD-SFHVURJKSA-N 343.342 3.966 50 40 EHGB O=C1CN=C(c2ccccc2)c2ccccc2N1CCCCCl 4280609 IRUIPIJEQFRUJD-UHFFFAOYSA-N 326.827 3.890 50 40 EHGB COc1ccccc1NC(=O)c1ccc(NC(=O)CCCl)cc1 32626786 MENKXUADSDWIPB-UHFFFAOYSA-N 332.787 3.515 50 40 EHGB CCOc1ccccc1[C@H]1[C@@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 135388 MRKJHEIPOFKYRM-DNVCBOLYSA-N 344.418 3.679 50 40 EHGB O=C(NCCc1ccccn1)[C@@H]1Cc2ccccc2[C@@H]1C(Cl)Cl 159171 PRAQTXISVZPZDQ-CVEARBPZSA-N 349.261 3.500 50 40 EHGB C=CCc1cccc(/C=N/NC(=O)c2cc(C)nc3ccccc23)c1O 254346 DIVHQDXVIQJWLY-LPYMAVHISA-N 345.402 3.741 50 40 EHGB COc1ccc2c(c1)CC/C2=N/NC(=O)Cc1cccc2ccccc12 5352031 FPWSJWHMHURXJH-LNVKXUELSA-N 344.414 3.858 50 40 EHGB N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1 6258402 NYPQAZOZONSYMB-XYOKQWHBSA-N 327.727 3.794 50 40 EHGB Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1cccc(F)c1 43925075 RMMOAXLHNSVAAE-RGVLZGJSSA-N 325.343 3.590 50 40 EHGB Cc1nn(C)c(C)c1/C=C/C(=O)NN(c1ccccc1)c1ccccc1 45165811 PEJOVOBDLKMKTP-CCEZHUSRSA-N 346.434 3.920 50 40 EHGB CCc1cc(C(=O)c2ccccc2OC)c(NC(=O)CCl)s1 414590 OSWBGAACOJLJTE-UHFFFAOYSA-N 337.828 3.727 50 40 EHGB CC[C@H](Nc1cccc2ccccc12)C(=O)N/N=C/c1ccncc1 2744593 SBCZTPJBNQKMGB-OVBDPADQSA-N 332.407 3.576 50 40 EHGB N#C/C(=C\c1ccc(OC(F)F)cc1)c1nnc2n1CCCCC2 5069616 UKDAELFMJVEUHL-JLHYYAGUSA-N 330.338 3.670 50 40 EHGB O=C(c1ccccc1)[C@H](Br)[C@@H](C(=O)O)c1ccccc1 1728088 VSFAAALQHJSSNQ-UONOGXRCSA-N 333.181 3.501 50 40 EHGB CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CC(C)(C)C)cc1 1792016 BIADWKRZOLCUAJ-FOWTUZBSSA-N 342.439 3.851 50 40 EHGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/C=C/c1ccco1 3150905 RUMFTKDMJLSDGM-BJEOCPPSSA-N 339.178 3.781 50 40 EHGB C#CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)c1cccc(C#N)c1 17067438 KADGQHGZBFXORE-YVLHZVERSA-N 329.315 3.543 50 40 EHGB O=C(N/N=C\c1cccc(Br)c1)c1ccccc1Cl 33285217 POXURQBWMHYGHE-MFOYZWKCSA-N 337.604 3.866 50 40 EHGB O=C1OC(=O)c2cc([N+](=O)[O-])c(Nc3ccccc3)c3cccc1c23 98044613 GJZDWAAXGWCLEW-UHFFFAOYSA-N 334.287 3.802 50 40 EHGB CCO[C@@](C)(CC)C(=O)Nc1ccc(OCCBr)cc1 225649944 WJXVAWNSYCZFQC-HNNXBMFYSA-N 344.249 3.604 50 40 EHGB C[C@@H]1Cc2cc(/C=N\NC(=O)c3ccccc3C(F)(F)F)ccc2O1 408710810 MKISCXAXBZOVFO-FEJWEZRGSA-N 348.324 3.793 50 40 EHGB CCc1ccc2c(c1)/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N2 59472587 GQASFQCUVWLBAB-UHFFFAOYSA-N 349.434 3.633 50 40 EHGB Cc1cccc(C(=O)N/N=C\c2ccc(C)c(Br)c2)c1 408970231 DANCOJNXOLTVNT-ZDLGFXPLSA-N 331.213 3.830 50 40 EHGB N#C/C(=C\c1ccc(N2CCCCC2)o1)c1nc(O)c2ccccc2n1 9014260 MEZOOJSRIGIPSL-WYMLVPIESA-N 346.390 3.983 50 40 EHGB Cc1cc(Cl)ccc1OCC(=O)N/N=C1/CCCc2ccccc21 32192367 OBSUPJMGPAENLL-FXBPSFAMSA-N 342.826 3.884 50 40 EHGB N#C/C(=C\c1cc2c(cc1Cl)OCO2)c1ccc2c(c1)OCO2 409364997 PPYBVWLDMBCSBA-KGVSQERTSA-N 327.723 3.862 50 40 EHGB COc1ccc([N+](=O)[O-])cc1/C=C(/C#N)c1cccc([N+](=O)[O-])c1 33608304 HUHVYQXAPHRAKD-QPEQYQDCSA-N 325.280 3.576 50 40 EHGB O=C(N/N=C\c1ccc(Cl)cc1)c1cccc(Br)c1 33308147 HQEYTQZPRUVXEC-MFOYZWKCSA-N 337.604 3.866 50 40 EHGB CC(C)(C)c1[nH]nc2c1[C@H](c1ccc(Cl)s1)C(C#N)=C(N)O2 377667 PUFQKJIRMSXOFG-JTQLQIEISA-N 334.832 3.640 50 40 EHGB CC[C@@H]1CCC/C1=N\NC(=O)CCC(=O)Nc1ccccc1Cl 12404037 PFONKMQGMFULGE-JITPHZTJSA-N 335.835 3.741 50 40 EHGB C#CCn1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c2ccccc21 409376562 ZKCMBQRZPVPGOY-QINSGFPZSA-N 341.370 3.526 50 40 EHGB C#CCOc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1 408937822 PCELJOGBOYCECY-PDGQHHTCSA-N 330.387 3.861 50 40 EHGB O=C(N/N=C\c1ccc(Cl)s1)c1cc2cc([N+](=O)[O-])ccc2o1 408904528 KXQZLAYTEPSPMJ-APSNUPSMSA-N 349.755 3.820 50 40 EHGB CC(C)(C)OC(=O)Nc1c(F)cccc1C(=O)CBr 199829857 YWWKZWACFCFGHX-UHFFFAOYSA-N 332.169 3.750 50 40 EHGB C/C(=N/NC(=O)c1ccc2[nH]cnc2c1)c1ccc2ccccc2c1 549889 PVGXHVVJEFYXEV-QRVIBDJDSA-N 328.375 3.870 50 40 EHGB CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cl)cc1 2886721 KJKJUSZSKYXKCQ-GXDHUFHOSA-N 339.782 3.844 50 40 EHGB Cc1cc(C)cc(OCC(=O)N/N=C/c2cccc3ccccc23)c1 5539363 AZHYACWRBKFQRB-LPYMAVHISA-N 332.403 3.986 50 40 EHGB COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OC(C)C 12619172 KBSBVKXVCJQRIA-LFIBNONCSA-N 342.439 3.838 50 40 EHGB CC/C(=N/NC(=O)[C@H](O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 17071271 FUFGTGVSNGUHGC-QJHMBMGCSA-N 340.467 3.819 50 40 EHGB CCO[P@](=O)(c1ccccc1)c1ccc(C(C)(C)C)c(O)c1O 100245593 CKRTWEOZIABGHY-HSZRJFAPSA-N 334.352 3.661 50 40 EHGB Cc1ccc(C(=O)NNC(=O)CCSc2ccc(Cl)cc2)cc1 3362073 ZFXMWKYLUAVDRW-UHFFFAOYSA-N 348.855 3.592 50 40 EHGB CN(C)c1ccc(C(=O)NNc2nc3c(Cl)cccc3s2)cc1 4061271 RKCXYSRLFADZBF-UHFFFAOYSA-N 346.843 3.773 50 40 EHGB CCCCc1[nH]nc2c1[C@H](c1ccnc3ccccc13)C(C#N)=C(N)O2 4620602 BEIGORCHJPVFEB-QGZVFWFLSA-N 345.406 3.519 50 40 EHGB O=C(Cc1ccccc1)N/N=C/[C@H]1[C@H](c2ccccc2)C1(Cl)Cl 4697605 AVKBQSAIFACIFT-XJAIPMTRSA-N 347.245 3.919 50 40 EHGB CCCc1n[nH]c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 5051873 IWHQWBCPUZNTEK-CYBMUJFWSA-N 348.328 3.599 50 40 EHGB COc1ccc(-c2csc(NNC(=O)NC3CCCCC3)n2)cc1 5274806 DKWXAXZVWPVFDN-UHFFFAOYSA-N 346.456 3.778 50 40 EHGB O=C(CCCCl)NC(=S)Nc1ccccc1N1CCCCC1 6615692 LZGYGUSFAPZLQA-UHFFFAOYSA-N 339.892 3.509 50 40 EHGB O=C(N/N=C\c1cccc(OCc2ccccc2F)c1)c1ccncc1 32125095 MKHNQYICIPLEIB-QRVIBDJDSA-N 349.365 3.564 50 40 EHGB COc1ccc(S(=O)(=O)/C(C#N)=C\Nc2ccccc2Cl)cc1 101412022 CYKKMIYDRDDDLC-KAMYIIQDSA-N 348.811 3.599 50 40 EHGB COc1ccccc1/C=C1\C(=O)OC(=O)\C1=C/c1ccccc1Cl 104259568 IEJCFPVKJKXDLI-HYQBVQLESA-N 340.762 3.899 50 40 EHGB COc1cc(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)c1O 408818972 ZMFUMTLWVJPXIF-OCKHKDLRSA-N 344.754 3.564 50 40 EHGB Cc1ccnc(Sc2oc(C=C(C#N)C#N)cc2Br)n1 409269271 ALBJKROPJKYEJM-UHFFFAOYSA-N 347.197 3.722 50 40 EHGB O=C(N/N=C/c1ccccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 486720 SPYDDQPSXFWHPZ-CAOOACKPSA-N 338.150 3.666 50 40 EHGB COc1ccc(/C(C)=N/NC(=O)c2ccccc2Cl)cc1OC 5289375 UAUDRQDXOKTGJT-YBFXNURJSA-N 332.787 3.511 50 40 EHGB Cc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc1 5409109 FBLFWPDHQSZVIA-AWEZNQCLSA-N 334.404 3.665 50 40 EHGB N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)OCCO2 13141564 ZMMIHALKHICMFY-MDWZMJQESA-N 340.766 3.657 50 40 EHGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(OC)c2)cc1 15219358 HWFORRCOLYYSEJ-WJDWOHSUSA-N 336.391 3.812 50 40 EHGB CN(C)C(=O)/C(C#N)=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 59334531 YFCKPERDBCSWGN-ZROIWOOFSA-N 328.456 3.982 50 40 EHGB O=C(CSCCc1ccccc1)N/N=C/c1cccc(Cl)c1 408727767 RXZWTLDZAJBRAS-XDHOZWIPSA-N 332.856 3.766 50 40 EHGB CC1(C)CC(=O)C2=C(C1)NC(S)=C(C#N)[C@H]2c1ccc(F)cc1 137295722 MXVUQOFDWUFBKG-OAHLLOKOSA-N 328.412 3.821 50 40 EHGB CCN(CC)c1ccc(/C=N/NC(=O)c2cccc3cc[nH]c23)cc1 280802 LJOFDFVUSGJCMX-HYARGMPZSA-N 334.423 3.778 50 40 EHGB N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1cccc(Cl)c1 5130836 BPWIRTBMBSZDFI-OAHLLOKOSA-N 348.793 3.948 50 40 EHGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cccc(Cl)c2)c1C 18209510 GRXWDLHWVNGJNP-KEBDBYFISA-N 330.815 3.794 50 40 EHGB c1ccc(P2(c3ccccc3)(c3ccccc3)OC[C@@H]3C[C@H]32)cc1 104194414 UJKFVUCNFVDYSE-PGRDOPGGSA-N 332.383 3.850 50 40 EHGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(C)c2)cc1 209644415 ZVNYQDQLEYSBFT-VBKFSLOCSA-N 336.391 3.948 50 40 EHGB COc1ccc([C@H]2[C@@H]3CCCCC=C3C(N)=C(C#N)C2(C#N)C#N)cc1 4730320 LFCXJLLCFZUGQB-APWZRJJASA-N 344.418 3.679 50 40 EHGB CC(C)Oc1ccccc1/C=C(\C#N)C(=O)NCCc1ccccc1 4544479 FXNZLNNBEDABES-XMHGGMMESA-N 334.419 3.740 50 40 EHGB CCN(CC)c1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)o1 408993376 DMSZESDWSMTLPY-ITRAFESCSA-N 345.468 3.757 50 40 EHGB N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)N1CCCC1 16437936 XQMKPFAPZVSESA-CPNJWEJPSA-N 332.403 3.795 50 40 EHGB O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Cl)ccc1O 59149 ZXWGIMSKUULXQH-CIAFOILYSA-N 338.794 3.892 50 40 EHGB CC(C)c1ccc(/C=N/NC(=O)c2cccc(Cn3cccn3)c2)cc1 131968 MWXQQVPBMLLVKD-HYARGMPZSA-N 346.434 3.819 50 40 EHGB Cc1ccnn1CC(=O)N/N=C/c1c2ccccc2cc2ccccc12 370389 ZGSHDLYDQFCUML-LPYMAVHISA-N 342.402 3.648 50 40 EHGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccccc1 381216 PBXRTYQPYXPPRC-PXLXIMEGSA-N 344.370 3.670 50 40 EHGB COc1cc(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1O 4514961 GTQIAWJJKRFPGP-QPEQYQDCSA-N 342.782 3.908 50 40 EHGB CC(/C=C/C=C/c1ccccc1)=N\NC(=O)c1ccc2c(c1)OCCO2 5222598 UXGTVMIDJBKVCR-AFRQCANISA-N 348.402 3.833 50 40 EHGB CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc([N+](=O)[O-])c1O 5906091 GOYAHXNMNPGVEQ-CHHVJCJISA-N 335.319 3.635 50 40 EHGB C/C(=N\NC(=O)COc1ccccc1C#N)c1ccc2ccccc2c1 8345942 HXCAODRMELUFMZ-HZHRSRAPSA-N 343.386 3.631 50 40 EHGB Cc1ccsc1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12 33788442 WFRCZOIYFKOEBI-GDNBJRDFSA-N 335.432 3.804 50 40 EHGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)cc1 59333875 ZSARICINJZWHSV-WJDWOHSUSA-N 340.810 3.914 50 40 EHGB COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)c1cccc(C#N)c1 408566713 ILKXIRHXQBLZNV-CHHVJCJISA-N 335.319 3.548 50 40 EHGB COC(=O)COc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1 495902 AHFROOKNRQXLQG-GDNBJRDFSA-N 327.767 3.956 50 40 EHGB CCN(CC(F)(F)C(F)F)c1ccc(C(C#N)=C(C#N)C#N)cc1 3106833 LXIOLXWWBZVAPE-UHFFFAOYSA-N 336.292 3.738 50 40 EHGB COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)Cl)cc1 3394160 HZMBAZOVOPNGLA-LLVKDONJSA-N 332.787 3.513 50 40 EHGB O=S(=O)(O[C@H]1C[C@H]2c3ccccc3[C@@H]1[C@@H]2Cl)c1ccccc1 5049044 GTVHFIWBHNQNCG-LUKYLMHMSA-N 334.824 3.653 50 40 EHGB CCOc1ccc(/C(C)=N/NC(=O)Cc2ccc(Cl)cc2)cc1 6961939 IFHHGKJHCGIYGS-DEDYPNTBSA-N 330.815 3.822 50 40 EHGB O=C(Cc1cccc2ccccc12)N/N=C1\CCc2c(O)cccc21 84598338 JFRXSTRBDOTHBN-ZBJSNUHESA-N 330.387 3.555 50 40 EHGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc2c1OCO2 408567533 FNLVMQKMPCKXDL-WCIBSUBMSA-N 337.310 3.503 50 40 EHGB O=C(CSCCc1ccccc1)N/N=C/c1ccccc1Cl 408726946 NWZCUQGMGVWSBS-XDHOZWIPSA-N 332.856 3.766 50 40 EHGB COc1ccc(/C=N/NC(=O)[C@]23[C@H]4CCC[C@@H]2[C@@]43c2ccccc2)cc1 408822274 KPWKKTIPZJAQLH-BRJVBCAPSA-N 346.430 3.513 50 40 EHGB Cc1cc(/C=N\NC(=O)Nc2ccccc2)c(C)n1-c1ccccn1 409253774 VGINZZLDVDEIQQ-BKUYFWCQSA-N 333.395 3.645 50 40 EHGB Cc1cc(/C=N/NC(=O)c2ccc(O)cc2)c(C)n1-c1ccccc1 7945669 BYFDABYZNHGLNW-FYJGNVAPSA-N 333.391 3.564 50 40 EHGB O=[N+]([O-])c1ccc(N/N=C2/c3ccccc3[C@@H]2Cl)c([N+](=O)[O-])c1 13407773 ZVJYYXUDNBIUBA-FSLWVPIDSA-N 332.703 3.613 50 40 EHGB CCC(=O)Nc1ccc(C(=O)N/N=C2/CCCc3ccccc32)cc1 30732447 SWWDJBUVPVHNSG-PYCFMQQDSA-N 335.407 3.506 50 40 EHGB COc1ccc(N/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1Cl 44842301 MGVKFIMOGZJESG-SDNWHVSQSA-N 348.811 3.599 50 40 EHGB COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)O)c(Cl)c2)cc1 408583258 SXURPQNEWSLPTI-RIYZIHGNSA-N 343.766 3.876 50 40 EHGB CCOC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1 408863480 SEFRYUFDMYRYTA-RVDMUPIBSA-N 338.338 3.548 50 40 EHGB O=C(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)c1cccnc1 409065047 FVXZKWIDSHKROW-FSJBWODESA-N 349.365 3.564 50 40 EHGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1O 4615282 DHZLHXZQJFRHPE-FMIVXFBMSA-N 328.755 3.600 50 40 EHGB Cc1cc(C(=O)N/N=C/c2ccc(N3CCCCC3)s2)c(C)o1 6286134 AANFBVWKAJFARV-WOJGMQOQSA-N 331.441 3.712 50 40 EHGB O=c1c2ccccc2nc(CBr)n1-c1ccc(Cl)cc1 363205 RWFCEXQYNTTZDA-UHFFFAOYSA-N 349.615 3.934 50 40 EHGB COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 4454724 NAEBEUPPRLTPQL-LJQANCHMSA-N 346.386 3.663 50 40 EHGB COc1ccc(C(=O)N/N=C/c2cccc3ccccc23)c(OC)c1 6170229 UOZLEVZVAXNHGM-FYJGNVAPSA-N 334.375 3.621 50 40 EHGB C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1C)c1ccccn1 17072041 BQVBDXVKOXMLMX-KGENOOAVSA-N 345.830 3.743 50 40 EHGB COc1cccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c1 33778381 IYTUMJSQDPKDNJ-FYJGNVAPSA-N 334.375 3.621 50 40 EHGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1 211327479 HIABFIJQAOBOPE-QGOAFFKASA-N 330.387 3.861 50 40 EHGB CCCCC(=O)N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 3127067 XWDJQWUKJJFNBH-WOJGMQOQSA-N 342.424 3.947 50 40 EHGB N#C/C(=C\c1ccccc1OCc1ccccc1)c1n[nH]c(N)c1C#N 4067324 GGWHELVBVFODQK-MHWRWJLKSA-N 341.374 3.507 50 40 EHGB Cc1noc2c1[C@@H](c1ccccc1)C(C#N)=C(N)[C@@H]2c1cccc(O)c1 4639675 WHPMEJQKVSKNFA-OALUTQOASA-N 343.386 3.702 50 40 EHGB Cn1c(C(=O)NNC(=O)CC2CCCCC2)cc2cc(Cl)ccc21 4675577 JAXDRHIFDMIOAZ-UHFFFAOYSA-N 347.846 3.563 50 40 EHGB Cc1cc(C)cc(OCC(=O)N/N=C/c2c(F)cccc2Cl)c1 5539310 BFCOXOPAHWBFRP-AWQFTUOYSA-N 334.778 3.625 50 40 EHGB COc1ccc(/C=C(\C#N)c2nnc(-c3ccccc3)n2C)c(OC)c1 96310751 CKFNMTHYPLUTCB-LFIBNONCSA-N 346.390 3.563 50 40 EHGB CN1/C(=C\C=N\NC(=O)c2ccc(F)cc2)C(C)(C)c2ccccc21 5603281 ZRJDDIBOUIBQEQ-MYECPZRPSA-N 337.398 3.853 50 40 EHGB CC(C)[C@@H](Br)C(=O)Nc1nc2c(F)cc(F)cc2s1 20133381 GORCJDYDZPSSPS-SECBINFHSA-N 349.200 3.933 50 40 EHGB O=C(CCCCl)Nc1ccccc1-c1nc(-c2cccnc2)no1 22463236 IPWFGNYPIDFKBX-UHFFFAOYSA-N 342.786 3.756 50 40 EHGB C[C@@H](OCc1ccccc1)C(=O)NNc1ccccc1C(F)(F)F 40088926 HMILUBCRKTXLMD-GFCCVEGCSA-N 338.329 3.754 50 40 EHGB O=C(Cl)[C@@H]1CC(=O)N(c2ccc3oc(-c4ccccc4)nc3c2)C1 57327033 JOEMEWWFWILEGC-GFCCVEGCSA-N 340.766 3.613 50 40 EHGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccc(C(C)(C)C)cc1 216950555 WPQJQWBPJZDIMB-UHFFFAOYSA-N 349.434 3.539 50 40 EHGB CC(=O)O[C@H]1C[C@@](F)(C(F)(F)F)[C@@](F)(C(F)(F)F)C[C@@H]1Cl 227002662 NSDMPHHLQXQISE-HSNKUXOKSA-N 348.617 3.861 50 40 EHGB Cc1ccc(Cl)cc1C(=O)[C@H](Br)CBr 307648831 HHTKADXVPKEYGE-SECBINFHSA-N 340.442 3.990 50 40 EHGB N#C/C(=C\c1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 5772020 JSCIOLWYOFNRCG-XYOKQWHBSA-N 327.727 3.794 50 40 EHGB NNC(=O)/C=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 216895318 LOQCKRUTELOLLC-QPJJXVBHSA-N 337.206 3.576 50 40 EHGB C#CCn1cc(/C=N/NC(=O)Cc2cc(C)ccc2C)c2ccccc21 409361069 GPDQXVAOIDOZCH-OEAKJJBVSA-N 343.430 3.584 50 40 EHGB CCn1cc(/C=C(\C#N)C(=O)NCc2cccs2)c2ccccc21 6568619 MLTGPOADGIIOLK-GXDHUFHOSA-N 335.432 3.946 50 40 EHGB CCOc1ccc(C(=O)NN)cc1CSc1ccc(Cl)cc1 224669350 JTLHAUVQSKLWJB-UHFFFAOYSA-N 336.844 3.635 50 40 EHGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)cc1Cl 408734492 HBWVJAFMEWZHGW-AWNIVKPZSA-N 340.766 3.923 50 40 EHGB CC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccccc1F 188436 UJAMRWPIMHMSHA-GOSISDBHSA-N 334.350 3.634 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc1OC 5752644 XUJSEEFRFRWZFU-MHWRWJLKSA-N 336.391 3.866 50 40 EHGB COc1ccc2ccccc2c1/C=N\NC(=O)CNc1ccccc1C 13939867 PROJSEUHOUENJO-QRVIBDJDSA-N 347.418 3.719 50 40 EHGB O=C(N/N=C/c1ccc2ccccc2n1)c1cc(F)c(F)cc1Cl 59461460 LZQPZOYWKSRPAU-ZVBGSRNCSA-N 345.736 3.930 50 40 EHGB O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C1CC1 117160350 ZSCKJSBSIXTNMN-UHFFFAOYSA-N 345.402 3.960 50 40 EHGB in-vitro COc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1[N+](=O)[O-] 95574 PBDWLQDQDAEERL-UDWIEESQSA-N 349.346 3.521 50 40 EHGB CC1(C)[C@H](I)CSc2nc3ccccc3n21 106663 WHSKUEWUSYHVJR-SNVBAGLBSA-N 344.221 3.681 50 40 EHGB Cc1ccsc1[C@@H]1C(C#N)=C(N)Oc2[nH]c(-c3ccccc3)nc21 204643 RKUGYJCTILBCDR-CYBMUJFWSA-N 334.404 3.665 50 40 EHGB Cc1ccc(OCC(=O)NN=C(c2ccccc2)c2ccccc2)cc1 1392639 TUPFDPDXXSBHFM-UHFFFAOYSA-N 344.414 3.943 50 40 EHGB COc1ccccc1N1[C@@H](Cl)C(=O)[C@H]1c1c[nH]c2ccccc12 1633489 XRJPTXAXTKITJS-SJLPKXTDSA-N 326.783 3.872 50 40 EHGB COc1cccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1OC 4738291 GWFFVUAZINXLCI-FYJGNVAPSA-N 340.423 3.765 50 40 EHGB C/C(=N/NC(=O)Cc1cccs1)c1ccc(Br)s1 4893929 WAEOIKRBJDKKIO-ZSOIEALJSA-N 343.271 3.655 50 40 EHGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1C 5620164 CBDMVHKFJQWSNY-VCHYOVAHSA-N 347.212 3.530 50 40 EHGB CCOc1cccc(/C=C(\C#N)c2nnc(-c3ccccc3)n2C)c1 96310755 DDGSSZXMCZVJJZ-SFQUDFHCSA-N 330.391 3.945 50 40 EHGB CC(=O)[C@H](C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 104154856 RIKDWAFQZYRUJP-IBGZPJMESA-N 333.391 3.958 50 40 EHGB CCOc1ccc(CC(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1 408711787 KINZDCUREKDSDH-DEDYPNTBSA-N 330.815 3.822 50 40 EHGB O=C(CN1CCCCC1)N/N=C/c1c2ccccc2cc2ccccc12 313863 NQZBSMPFMUIBJI-HZHRSRAPSA-N 345.446 3.929 50 40 EHGB CC(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1 3008761 JKWSCLZZPDGVDW-RGVLZGJSSA-N 343.814 3.552 50 40 EHGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1Cl)C(N)=O 3277555 NXYLQLIJUDEITK-JLHYYAGUSA-N 348.793 3.585 50 40 EHGB Cc1ccc2[nH]c3c(c2c1)CC[C@H](/C=N/NC(=O)c1ccccc1)C3=O 4350845 FSXPPJFKCYMFDW-HJGVYBFFSA-N 345.402 3.637 50 40 EHGB COc1ccc(OC)c(/C=N/NC(=O)Cc2cccc3ccccc23)c1 5513102 NAVDUOBRKRQSSG-HYARGMPZSA-N 348.402 3.550 50 40 EHGB O=C(Cl)c1cc([N+](=O)[O-])c(NC2CCCCC2)c([N+](=O)[O-])c1 26508953 AKYGYGCKXLEPTO-UHFFFAOYSA-N 327.724 3.627 50 40 EHGB O=[P@]1(NCCCl)OC(c2ccccc2)=CCN1CCCl 104232816 XXTCGJILQQNSSP-HXUWFJFHSA-N 335.171 3.535 50 40 EHGB O=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccncc1 219235 NCFANXGRONSQTN-UHFFFAOYSA-N 329.403 3.653 50 40 EHGB CO[C@H](C(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1ccccc1 567202 CAZMOQQMNJNGTR-RPJLVFAOSA-N 337.206 3.831 50 40 EHGB CCCOc1ccc(/C=N/NC(=O)c2ccccc2C)cc1OCC 6960293 OIBYEJHZQYNKNK-KGENOOAVSA-N 340.423 3.946 50 40 EHGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)cc2)c(C)c1 8220809 WNWBSJYMDUZRAT-SFQUDFHCSA-N 331.375 3.752 50 40 EHGB CC/C(=N\NC(=O)c1cccc(Br)c1)c1ccccc1 12401999 SBEWIUNFONLPQN-OBGWFSINSA-N 331.213 3.993 50 40 EHGB Cc1cccc(/C(=N/NC(=O)c2cc(O)ccc2O)c2ccccc2)c1 13321710 JEXDBBSASCHFBR-LSDHQDQOSA-N 346.386 3.589 50 40 EHGB CC/C(=N/NC(=O)[C@@H](O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 17071270 FUFGTGVSNGUHGC-AXELBHKCSA-N 340.467 3.819 50 40 EHGB CCOC(=O)c1cc(C#N)c(CBr)c(C(F)(F)F)c1 575342170 FXFCZWATXJNBHH-UHFFFAOYSA-N 336.107 3.649 50 40 EHGB C[C@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)o1 4888778 MWWRPKZSVLGNLZ-QBAKGOIMSA-N 336.347 3.647 50 40 EHGB CCC(CC)=NNC(=O)CSCc1ccccc1Br 20248924 SPKNTYQZWPZENI-UHFFFAOYSA-N 343.290 3.975 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(OC)c1 28356465 RWYCBUMCOMZHCR-MHWRWJLKSA-N 336.391 3.866 50 40 EHGB COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)c1ccccc1F 33789152 ASFYEURLVIQFJT-GHXNOFRVSA-N 328.299 3.815 50 40 EHGB CC(C)c1nc(/C=C(\C#N)C(=O)NC2CCCCC2)c2ccccn12 98056516 BFPYMFVOUYWBLP-NTCAYCPXSA-N 336.439 3.814 50 40 EHGB COC(CCCCCCCCCC[Si](OC)(OC)OC)OC 198065859 DEPMKHICIZKCAT-UHFFFAOYSA-N 336.545 3.994 50 40 EHGB COC(=O)c1c(-n2c(C)cc(C=C(C#N)C#N)c2C)sc(C)c1C 409205082 LCKHXHNBYQPRKY-UHFFFAOYSA-N 339.420 3.990 50 40 EHGB CCCCOc1ccc(/C=N/NC(=O)c2ccco2)cc1OCC 2758514 MROKNEMBNKYHSP-CPNJWEJPSA-N 330.384 3.621 50 40 EHGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)C12CC3CC(CC(C3)C1)C2 20159065 JEVUVBCAXSHKTF-CIAFOILYSA-N 340.423 3.737 50 40 EHGB N#C/C(=C/c1ccco1)c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1 50575663 BGFMWGXVKZEKEP-WDZFZDKYSA-N 334.360 3.637 50 40 EHGB C/C(CCc1ccccc1)=N\NC(=O)COc1ccc(Cl)cc1 58657333 UNZMJYNLKTWRLC-XSFVSMFZSA-N 330.815 3.844 50 40 EHGB Cc1cc(Cl)ccc1OCCCC(=O)N/N=C/c1ccccc1O 1949963 CFSUDPSRVPDDFH-UDWIEESQSA-N 346.814 3.663 50 40 EHGB COc1cccc([C@H]2[C@@H]3C[C@@H](C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 4729725 LWQBCYAGJBCXKH-IRWQIABSSA-N 344.418 3.535 50 40 EHGB O=C(COc1ccccc1Cl)N/N=C\c1c(F)cccc1Cl 13943397 XABXIGLETMJTEZ-UWVJOHFNSA-N 341.169 3.662 50 40 EHGB COc1ccc(Cl)cc1/C=C(\C#N)C(=O)NCCc1ccccc1 53102690 SKBSSZTVQLBDGY-LFIBNONCSA-N 340.810 3.614 50 40 EHGB O=C(N/N=C/c1cccn1-c1ccc(Cl)cc1)c1ccc(O)cc1 59679667 ACAUTFMDZAINLU-UDWIEESQSA-N 339.782 3.600 50 40 EHGB O=C(c1ccc(F)cc1Cl)[C@@H](Br)CBr 306491054 VPNSHULRWBIHBD-ZETCQYMHSA-N 344.405 3.820 50 40 EHGB C=CCn1c(C)c(/C=N/NC(=O)COc2ccccc2)c2ccccc21 408532653 QQHYNKUFHQOFCE-HYARGMPZSA-N 347.418 3.665 50 40 EHGB CN1/C(=C(\C#N)C(=O)COc2ccc(Cl)cc2)Nc2ccccc21 100813500 GPYMJVGMUGPHGG-NBVRZTHBSA-N 339.782 3.585 50 40 EHGB CC(C)c1ccc(/C=C/C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 568862 YPIDWMDOUOGIIC-LFYBBSHMSA-N 342.826 3.938 50 40 EHGB CN(c1ccccc1)c1ccc(/C=N/NC(=O)c2ccccc2O)cc1 3067894 UZZZNSRBLGYWBV-PXLXIMEGSA-N 345.402 3.924 50 40 EHGB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCl)c2C(=O)O)C1 4910615 HCMPTZZCDROTOV-QMMMGPOBSA-N 329.849 3.775 50 40 EHGB CC(C)(C)C1CCC(=NNC(=O)[C@H]2COc3ccccc3O2)CC1 5164213 MIPLFEBEXIEHKK-LRHAYUFXSA-N 330.428 3.535 50 40 EHGB N#C/C(=C/c1cn(CC(=O)O)c2ccccc12)c1cccc([N+](=O)[O-])c1 6616435 QHFRJCRFFXCWEM-ZSOIEALJSA-N 347.330 3.698 50 40 EHGB COC[C@H](C)Oc1ccc2nc(NC(=O)CCCCl)sc2c1 20133641 FBMWJLNGNKXEIA-JTQLQIEISA-N 342.848 3.668 50 40 EHGB Cc1ccc(CC(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1C 107651433 KQKVQLYFSIWCNW-LPYMAVHISA-N 333.435 3.796 50 40 EHGB COc1cccc(-c2nc3cc(NC(=O)CCl)cc(C)c3o2)c1 216855268 ICPVSKKYGYPTGL-UHFFFAOYSA-N 330.771 3.989 50 40 EHGB NNC(=O)c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 226319368 VPGRUKBXARXHMY-UHFFFAOYSA-N 345.613 3.829 50 40 EHGB Cc1cccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c1 354386 YCHOOHLBMCCZGL-DJKKODMXSA-N 337.206 3.831 50 40 EHGB CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c1 8916614 YVRMQNNDODWOOU-IBGZPJMESA-N 336.391 3.789 50 40 EHGB CN(NC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1 15832521 NPOMYKKKRNXTQS-UHFFFAOYSA-N 339.420 3.503 50 40 EHGB N#C/C(=C/NC(=S)NC1CCCCC1)c1nc2ccccc2s1 104305045 MJDDCQSCGIAYFT-QXMHVHEDSA-N 342.493 3.958 50 40 EHGB COc1cc(/C=C(/C#N)C(N)=S)ccc1OCc1cccc(C)c1 408544601 VUCFQRMYSYIJDP-SXGWCWSVSA-N 338.432 3.776 50 40 EHGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(-c2cccc(F)c2)o1 409222611 CIGYNFAFLXNTRQ-UUYOSTAYSA-N 340.329 3.918 50 40 EHGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cn(C)c3ccccc23)c1C 12859048 XHRJMFCZSIXAEP-SSDVNMTOSA-N 349.434 3.633 50 40 EHGB Cc1cccc(C(=O)NNC2=C(C(=O)C(F)(F)F)CCCCC2)c1 59489001 LXCLVRBYNIOGBD-UHFFFAOYSA-N 340.345 3.579 50 40 EHGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)c3ccco3)cc21 208201327 PTVVNHGDBOBDSG-UAAGNOOKSA-N 325.412 3.766 50 40 EHGB CCOC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2C)o1 408842049 NNQQUKXMGIDYPU-FMIVXFBMSA-N 326.308 3.633 50 40 EHGB CCC(=O)Nc1ccc(C(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1 112858 RPHRBUVZZAUUAH-CIAFOILYSA-N 343.814 3.843 50 40 EHGB COc1ccc(/C(C)=N/NC(=O)Cc2cccc3ccccc23)cc1 5381585 VDCMXHHVKCSPSF-PXLXIMEGSA-N 332.403 3.931 50 40 EHGB COc1ccc2nc(/C(C#N)=C\c3ccc(OC)c(OC)c3)[nH]c2c1 409391651 KLFZIOCRJYVHGA-JYRVWZFOSA-N 335.363 3.653 50 40 EHGB Cc1cccc2sc(NC(=O)NCCCBr)nc12 40163788 LUKKWWNNTGKGBI-UHFFFAOYSA-N 328.235 3.511 50 40 EHGB O=C(CBr)N1CCc2ccccc2[C@H](c2ccccc2)C1 550075 OCAVIGFZAPRJPF-KRWDZBQOSA-N 344.252 3.598 50 40 EHGB COc1cc(/C=C(\C#N)c2cccc(F)c2)c([N+](=O)[O-])cc1OC 2873953 UDVOPNOVSOSSBW-AWNIVKPZSA-N 328.299 3.815 50 40 EHGB O=C(COc1cccc(Cl)c1)Nc1ccc(C(=O)CCl)cc1 1749789 CLVILQXTOHWLLZ-UHFFFAOYSA-N 338.190 3.779 50 40 EHGB Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)n1-c1ccc(Cl)cc1 7164030 QLGCPOWCPVJKAJ-XNTDXEJSSA-N 339.826 3.933 50 40 EHGB COc1ccc(NC(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1 59679180 ALRRACCOSLDOKW-UDWIEESQSA-N 336.395 3.651 50 40 EHGB CN(C)c1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1 59921907 USSAGSDTJOODPF-SRZZPIQSSA-N 335.329 3.535 50 40 EHGB COc1cccc2cc(/C=C(\C#N)c3nnc4n3CCCCC4)oc12 67189599 OANCFKVDERFYGW-SDNWHVSQSA-N 334.379 3.823 50 40 EHGB COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1C 408962822 JSBPJTSCYWLGOC-UFFVCSGVSA-N 336.313 3.786 50 40 EHGB N[C@@H](CSSC[C@H](N)Cc1ccccc1)Cc1ccccc1 1635082 HMGPKVXXJNKEBR-QZTJIDSGSA-N 332.538 3.508 50 40 EHGB N#Cc1ccc(NC(=O)NNc2ccc(OC(F)(F)F)cc2)cc1 12977381 YOWAVVNACSQBLG-UHFFFAOYSA-N 336.273 3.605 50 40 EHGB COc1ccccc1C(=O)c1c(NC(=O)CCl)sc2c1CCC2 13999041 FDDMRXSZBNHFIL-UHFFFAOYSA-N 349.839 3.654 50 40 EHGB C=CCOc1cccc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)c1 59401590 BYNFQOJBHDFKGJ-AUQXIXNCSA-N 340.448 3.882 50 40 EHGB COc1ccc2c(Br)ccc(CBr)c2n1 85221900 OOPHPPJUKMZRRQ-UHFFFAOYSA-N 331.007 3.901 50 40 EHGB COC(=O)[C@H](C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97976222 MEWCABWAYWMDNW-SFHVURJKSA-N 349.390 3.542 50 40 EHGB CC(C)(C)OC(=O)NC[C@H]1CNC[C@@H](O[Si](C)(C)C(C)(C)C)C1 230607215 OOKUGYWBSLZBOR-KGLIPLIRSA-N 344.572 3.511 50 40 EHGB O=C(N/N=C/c1cc(/N=N/c2ccccc2)ccc1O)c1ccncc1 4702584 GEMBELONQVPVKX-LAMRRIJQSA-N 345.362 3.967 50 40 EHGB O=C/C(=C/Nc1ccc(C(=O)O)cc1)c1nc2cc(Cl)ccc2o1 5338085 QJMUJVMCLUQEOV-FLIBITNWSA-N 342.738 3.831 50 40 EHGB COc1ccc(CSCC(=O)N/N=C/c2ccccc2Cl)cc1 59473650 LOVCASRJVMABFP-VXLYETTFSA-N 348.855 3.732 50 40 EHGB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(N)O1 47845 JOHBVQLLXJSGKQ-IBGZPJMESA-N 346.386 3.512 50 40 EHGB O=C(O)[C@H](Br)[C@@H](Br)c1cccc(Cl)c1 1591972 BHVQFJAWAAQZCT-JGVFFNPUSA-N 342.414 3.624 50 40 EHGB CCCCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 2484114 FRBOOUSELXIHMB-SFHVURJKSA-N 338.407 3.680 50 40 EHGB CC(C)c1ccc(S(=O)(=O)C(C#N)=C2Nc3ccccc3N2)cc1 2561732 DJVKMINOBIJFCG-UHFFFAOYSA-N 339.420 3.814 50 40 EHGB Cc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-] 3071431 NOSHYBCENWUJND-FYJGNVAPSA-N 347.374 3.749 50 40 EHGB C/C(CC(=O)Nc1ccc(C)c(Cl)c1)=N\NC(=O)c1cccs1 4610859 MYRCUGDLNIIZTE-YBFXNURJSA-N 349.843 3.844 50 40 EHGB N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccccc1Br 5215073 QNDDSJPWQKGPGG-FMIVXFBMSA-N 343.180 3.700 50 40 EHGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)NC(C)C)o1 5960739 WQTQSJVSTLDKOS-UKTHLTGXSA-N 339.351 3.595 50 40 EHGB C/C(CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)O)=N/NC(N)=O 13800496 YPWULSVTTBGBFG-NATYOPFASA-N 337.508 3.804 50 40 EHGB CC(C)[C@H](Br)C(=O)Nc1nc2ccc(F)cc2s1 20133349 SBBUKKLBHZDLSP-JTQLQIEISA-N 331.210 3.793 50 40 EHGB Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(N)=O)cc1C 408885254 YIIYXUMNPYIDNH-LZYBPNLTSA-N 340.810 3.928 50 40 EHGB Cc1cccc(-n2cccc2/C=N/NC(=O)c2ccc(C#N)cc2F)c1 408966497 LYMLRYDSWDLLBR-YDZHTSKRSA-N 346.365 3.560 50 40 EHGB CCOC(=O)COc1ccc(/C=C(/C#N)c2ccc(C#N)cc2)cc1 409372260 PVNHKJDJHLDUOX-WQRHYEAKSA-N 332.359 3.564 50 40 EHGB COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1 59770 LEMMJEZBTDYELS-VCHYOVAHSA-N 334.828 3.591 50 40 EHGB Cc1cccc(N[C@@H](C)C(=O)N/N=C/c2c(O)ccc3ccccc23)c1 234690 POUQKRCSIOCIHA-NSMHLIOHSA-N 347.418 3.805 50 40 EHGB Cc1cccc(C(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 5547936 RFJDRWRQEJUOHZ-UDWIEESQSA-N 349.346 3.927 50 40 EHGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OC(C)C 5727361 JVDBQYLEVVSZSP-RGVLZGJSSA-N 346.814 3.900 50 40 EHGB COc1ccc(N/C(S)=C(/C#N)C(=O)OC2CCCCC2)cc1 6275034 VPXFFTSFLKRKMJ-FOCLMDBBSA-N 332.425 3.648 50 40 EHGB NNC(=O)/C=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 226258184 OEQYEZXRLHVPRI-ZZXKWVIFSA-N 330.693 3.622 50 40 EHGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2F)o1)c1ccccc1 408600530 CPSGAQCXMUQRJD-SRZZPIQSSA-N 326.302 3.989 50 40 EHGB CO[C@H]1CN(C(=O)/C(C#N)=C/C(C)C)CC[C@@H]1Cc1cccc(C)c1 585288966 CDZOBQXEATVWDH-RVIREDRWSA-N 340.467 3.507 50 40 EHGB O=C(CCc1ccccc1)NNC(=O)c1ccc(-c2ccccc2)cc1 342580 XYVJMZKGJQAZJL-UHFFFAOYSA-N 344.414 3.747 50 40 EHGB CCOC(=O)c1c[nH]c2ccc(N(CCCl)CCCl)cc12 1692168 AAIQFZPANIDUAS-UHFFFAOYSA-N 329.227 3.629 50 40 EHGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1O 3570267 JHJGNVZKMBMQEJ-IZZDOVSWSA-N 346.745 3.739 50 40 EHGB C#CCOc1c(/C=C(/C#N)c2nc3ccccc3[nH]2)cccc1OC 4540776 RNSJZPJSTCMHDB-QINSGFPZSA-N 329.359 3.648 50 40 EHGB N#C/C(=C\c1ccccc1)c1nn2c(-c3ccccc3)nnc2s1 34702823 NQGZCVBVRJPVIQ-RVDMUPIBSA-N 329.388 3.917 50 40 EHGB O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2C1=C(c1ccccc1)c1ccccc1 105115050 GFTXOYOWCPVIJK-FVCZOJIISA-N 328.367 3.620 50 40 EHGB O=C(N/N=C\c1ccc(Sc2ccccc2)o1)c1cccc(O)c1 408995575 KBSMWZCRFQTCCS-UNOMPAQXSA-N 338.388 3.900 50 40 EHGB N#CC1=C(SCc2ccc(F)cc2)NC(=O)C[C@@H]1c1ccco1 409128151 RRQTVTDVEAADJH-ZDUSSCGKSA-N 328.368 3.691 50 40 EHGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccco3)cc2)cc1 562606 IGCXISKNSRTPHA-FYJGNVAPSA-N 334.375 3.931 50 40 EHGB COc1ccc(CC(=O)N/N=C/c2c(OC)ccc3ccccc23)cc1 585355 IPGSPGGURMQQPM-HYARGMPZSA-N 348.402 3.550 50 40 EHGB O=C(C/C(=N/NC(=O)c1ccccc1)C(F)(F)F)c1ccsc1 4100552 OYEUOQSHLFSFEG-UYRXBGFRSA-N 340.326 3.669 50 40 EHGB CCCC(CCC)=NNC(=O)CNc1cccc(Br)c1 4359348 PGUGAUVFRJXQGB-UHFFFAOYSA-N 340.265 3.933 50 40 EHGB COc1ccc(N2[C@@H](Cl)C(=O)[C@H]2c2c[nH]c3ccccc23)cc1 5550136 LJUXUWDXIRPKNI-SJLPKXTDSA-N 326.783 3.872 50 40 EHGB CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Cl)c1OC 7930304 RLBBAVMAIBHYHP-YBFXNURJSA-N 332.787 3.511 50 40 EHGB CCCCC(=O)N/N=C\c1cc(OCC)c(OCC)cc1OCC 31671994 XLGZVQLEWISRFV-UYRXBGFRSA-N 336.432 3.523 50 40 EHGB CCOc1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)c(OCC)c1 409059182 UWKHGDWDDKYVDH-YYMQOGKOSA-N 344.455 3.760 50 40 EHGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(C)o1 4545175 CUWCJBQFZLOROY-FYJGNVAPSA-N 332.359 3.517 50 40 EHGB N#C/C(=C\c1c(F)cccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 6241290 HWACMLYWZFQBPX-JXMROGBWSA-N 345.717 3.933 50 40 EHGB Cc1ccccc1NC(=O)/C(C#N)=C/c1coc2ccccc2c1=O 41120827 KMMVFQWPCJZJEK-GXDHUFHOSA-N 330.343 3.647 50 40 EHGB O=C(NNc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2oc1=O 1505840640 KHNSGORECZJPCJ-UHFFFAOYSA-N 349.173 3.857 50 40 EHGB CCCc1n[nH]c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 66879 INPDHFCRMCOTQI-CYBMUJFWSA-N 349.221 3.887 50 40 EHGB CCCCOc1ccccc1/C=N/NC(=O)c1ccc(C)cc1OC 2077131 RMBAZVZZXWJCBE-KGENOOAVSA-N 340.423 3.946 50 40 EHGB CC(C)[C@H](C(=O)NNC(=O)c1ccccc1F)c1ccc(Cl)cc1 2651385 MOYWBZJPFBWKPD-INIZCTEOSA-N 348.805 3.680 50 40 EHGB O=C(Cl)c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 5756844 GYRGCBZDBBAORN-UHFFFAOYSA-N 330.521 3.996 50 40 EHGB COc1ccc(/C=C(\C#N)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 297708 URHIFQZQJIHIJE-MDWZMJQESA-N 340.335 3.685 50 40 EHGB C[C@@H](Br)C(=O)c1ccc(OC(=O)c2ccccc2)cc1 1703855 RVZGNNYQEQMALE-LLVKDONJSA-N 333.181 3.872 50 40 EHGB Cc1cc(C)cc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)c1 20345362 OVQDMYPQPGXMKL-UHFFFAOYSA-N 349.390 3.629 50 40 EHGB Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1ccc(F)cc1 408784889 WGSNJGZGGUQHCD-YBEGLDIGSA-N 325.387 3.665 50 40 EHGB N#C/C(=C\c1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(O)cc1 409049779 YPWXVOSPASKWBO-BJMVGYQFSA-N 349.173 3.950 50 40 EHGB O=C(CCc1ccccc1)N/N=C/c1cc(Cl)cc(Cl)c1O 3162043 XXKKHYJQAMRZBO-VXLYETTFSA-N 337.206 3.782 50 40 EHGB COc1ccc(/C(C)=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1 5370445 PRUCRNYBUPMETG-NPQOUYBPSA-N 342.464 3.857 50 40 EHGB N#CCn1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21 7098466 KCEKBONKCQJSMN-SRZZPIQSSA-N 336.782 3.582 50 40 EHGB O=C(CSc1nc2ccccc2s1)N/N=C\c1ccsc1 33328657 ALMUYFRLSOYXFB-CHHVJCJISA-N 333.463 3.600 50 40 EHGB COC(=O)c1cc(-c2ccc(/C=C(\C#N)C(N)=S)o2)ccc1Cl 33508842 FBRBVLYNAJGPSV-UXBLZVDNSA-N 346.795 3.580 50 40 EHGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1OC 38164529 FNMYIOZOZXVVNK-NDENLUEZSA-N 344.798 3.677 50 40 EHGB CCOC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)cc1 40006472 ZAAPDLUWUBJGIV-LFIBNONCSA-N 325.339 3.875 50 40 EHGB C=CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C)c2C)cc1 59334506 WGIQIGUUZKCFRL-AQTBWJFISA-N 349.434 3.654 50 40 EHGB COc1cc(C)c(/C=N\NC(=O)Cc2ccc(F)cc2)cc1C(C)C 409221464 QRNMOAMBGAUGAT-UUYOSTAYSA-N 342.414 3.959 50 40 EHGB CCCCN1C(=O)c2cccc3c(OCCCl)ccc(c23)C1=O 2362797572 JAMPVFMHOOFQMQ-UHFFFAOYSA-N 331.799 3.854 50 40 EHGB O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccs1 307936 SYLNMJWYKMOKSK-LICLKQGHSA-N 341.348 3.680 50 40 EHGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1Cl 485244 PEXRHIPSJPCILT-CAOOACKPSA-N 338.150 3.666 50 40 EHGB C[C@@H](NC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccccc1)c1ccccc1 2768423 CKFLUYPNIJYQSN-GYZOOYGHSA-N 342.402 3.861 50 40 EHGB CC(C)Oc1ccccc1/C=N/NC(=O)COc1ccccc1Cl 12468282 SHHHPSBMKRBWDA-RGVLZGJSSA-N 346.814 3.656 50 40 EHGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1O 15219914 TXGZZDHEMSZPNX-YBEGLDIGSA-N 336.391 3.953 50 40 EHGB O=C(NN(Cc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 32999494 DREWEWLZRUDJTR-UHFFFAOYSA-N 347.374 3.946 50 40 EHGB O=C(COc1ccccc1-c1ccccc1)NN=C1CCSCC1 45924137 GWFXSKZXRSEUAR-UHFFFAOYSA-N 340.448 3.732 50 40 EHGB Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1 72117985 OHZBAVCTTPSORW-GDNBJRDFSA-N 330.343 3.964 50 40 EHGB COc1c(Br)ccc(Cl)c1C(=O)CBr 169795967 UEFGEIDIEWPCQO-UHFFFAOYSA-N 342.414 3.689 50 40 EHGB O=C(N/N=C/c1ccccc1)c1ccc(N2Cc3ccccc3C2)cc1 408718668 RKSCFIAPXRGQAF-OEAKJJBVSA-N 341.414 3.971 50 40 EHGB COc1ccc(CC(=O)N/N=C\c2cn(C(C)C)c3ccccc23)cc1 409163504 SMLGREBRDBHYIN-XKZIYDEJSA-N 349.434 3.924 50 40 EHGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccccc1Cl 69990 FQZXJEJOHRZBSE-GIJQJNRQSA-N 345.811 3.724 50 40 EHGB CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1Cl 377715 DNOWDZZXRGEVJL-QGZVFWFLSA-N 325.799 3.624 50 40 EHGB CCOc1cccc2sc(NNC(=O)c3ccc(F)cc3)nc12 4121330 ZLDRAWSJBALWEV-UHFFFAOYSA-N 331.372 3.591 50 40 EHGB COc1cc(C)c(/C=C(\C#N)C(=O)NCc2ccco2)cc1C(C)C 4211337 DRIBRZJPGAIUQI-CXUHLZMHSA-N 338.407 3.943 50 40 EHGB ClC[C@H]1CN(c2ccccc2)[C@@]2(O1)SCCN2c1ccccc1 4600975 ONQZXIGOGHWSKK-ROUUACIJSA-N 346.883 3.995 50 40 EHGB COc1ccc(Cl)cc1C(=O)N/N=C/c1ccc(SC)cc1 5527181 SWHLNZZQUHFHJQ-VCHYOVAHSA-N 334.828 3.834 50 40 EHGB C/C(=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccco1 5880745 PTSKIBGMTSYXKT-NTOSSWPYSA-N 341.194 3.894 50 40 EHGB Cc1ccsc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 6223481 BKMUFLGRSWKZGJ-LZYBPNLTSA-N 345.405 3.943 50 40 EHGB O=C(N/N=C/c1ccc(OC/C=C/Cl)cc1)c1cccc(F)c1 3148445 GQIAQOJGQSLXPR-OAYYEFONSA-N 332.762 3.721 50 40 EHGB CCn1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)c2ccccc21 6226232 KXCQYDAVGNYWDV-LPYMAVHISA-N 333.435 3.971 50 40 EHGB Cc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCC(N)=O)cc1 408579541 HNAXXUGWVMKCFV-OVCLIPMQSA-N 326.783 3.577 50 40 EHGB C[C@@H]1Oc2ccccc2C=C1/C=C(\C#N)S(=O)(=O)c1ccccc1 912121 PGIJLNUAZNDSOA-QCUKBLKESA-N 337.400 3.732 50 40 EHGB O=S(=O)(C(N=C=S)=C(Cl)Cl)c1ccc(Cl)cc1 2454754 LFQWMVNRYHVTPH-UHFFFAOYSA-N 328.629 3.821 50 40 EHGB O=C1[C@H](Cl)N(c2ccccc2[N+](=O)[O-])[C@@H]1c1c[nH]c2ccccc12 5594141 FOGCFESHGCMFAM-NVXWUHKLSA-N 341.754 3.771 50 40 EHGB N#CC1=C(N)SC(N)=C(C#N)C1c1ccc(-c2ccccc2)cc1 19640495 XTHHCSKHBYDJED-UHFFFAOYSA-N 330.416 3.572 50 40 EHGB Cc1nc(Cc2ccccc2)sc1C(=O)N/N=C\c1ccccc1 31798564 WWIDPIOUNXCZEB-MOSHPQCFSA-N 335.432 3.806 50 40 EHGB CCn1cc(/C=N/NC(=O)CNc2ccc(C)cc2)c2ccccc21 60512606 KWCROBYSRQJEMF-WSDLNYQXSA-N 334.423 3.532 50 40 EHGB CN(NC(=O)c1ccccc1)c1cc(C(F)(F)F)cc(Cl)n1 91696110 DHVHGHNPAAGZAT-UHFFFAOYSA-N 329.709 3.535 50 40 EHGB CC(=O)N[C@H](C(C)(C)C)P(=O)(c1ccccc1)c1ccccc1 101466231 QIYHAGCVVLIXSX-SFHVURJKSA-N 329.380 3.509 50 40 EHGB C#CCOc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1 409372990 RNWPFMWFPWPNCP-RGVLZGJSSA-N 347.201 3.769 50 40 EHGB Cc1cccc2sc(NNC(=O)c3nc4ccccc4s3)nc12 4121300 CLCJNGPXTPRDJM-UHFFFAOYSA-N 340.433 3.971 50 40 EHGB C=C(C)C(=O)Nc1cccc(/C(C)=N/NC(=O)c2cccc(C)c2)c1 5754925 PFCMDTYZUUJJMM-PXLXIMEGSA-N 335.407 3.664 50 40 EHGB C/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1ccc(C#N)cc1 5868489 CDPNOPPUBZACGY-OEAKJJBVSA-N 328.375 3.569 50 40 EHGB COc1ccccc1C(=O)N/N=C/c1c(OC)ccc2ccccc12 6182591 IWGIZVZUDSZUAA-FYJGNVAPSA-N 334.375 3.621 50 40 EHGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OC)cc1 33656520 LJKXVRFPLAOTKD-LCYFTJDESA-N 342.782 3.903 50 40 EHGB O=C(N/N=C/c1ccc(N2Cc3ccccc3C2)cc1)c1ccccc1 59503590 BBPJNWLZOQBWAB-OEAKJJBVSA-N 341.414 3.971 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1 487214 WKXAJOSFBYXICV-WOJGMQOQSA-N 347.212 3.612 50 40 EHGB O=S(=O)(Cc1ccccc1)[C@H](Br)c1ccccc1 1702034 WSAVKRNOQDMKLH-AWEZNQCLSA-N 325.227 3.695 50 40 EHGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C)o2)sc(C)c1C 2377657 SXMJSFWONHGXDL-KPKJPENVSA-N 344.392 3.599 50 40 EHGB C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1ccccc1 4735276 OMXVQGDUOVDBSB-LDADJPATSA-N 331.213 3.532 50 40 EHGB Cc1cccc(C)c1NCC(=O)N/N=C\c1c(O)ccc2ccccc12 13285913 CSHDRPOHKCTUQP-FMCGGJTJSA-N 347.418 3.724 50 40 EHGB COc1cc(/C=C(\C#N)c2ccccn2)cc(OC)c1OC(F)F 14094425 BHLADMBBVBMWGX-KPKJPENVSA-N 332.306 3.764 50 40 EHGB Cc1cc(C)cc(O[C@H](C)C(=O)N/N=C\c2ccc(Cl)cc2)c1 31776133 OIRLXQYPHSURRP-LPKQHDGYSA-N 330.815 3.874 50 40 EHGB O=C(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)C(=O)OC2=O 104171340 HGDMBAWYAUEKGH-UHFFFAOYSA-N 336.130 3.556 50 40 EHGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)o1 408804658 ZISNAVYGQJMYCY-WDWIQWHKSA-N 341.455 3.872 50 40 EHGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(-c2ccccc2)o1 81660 YRAQXIDBJOIFFY-GOSISDBHSA-N 332.359 3.761 50 40 EHGB O=C(CCl)Nc1sc2c(c1C(=O)c1ccc(F)cc1)CCC2 416183 YNGIQRFMOSQDQM-UHFFFAOYSA-N 337.803 3.784 50 40 EHGB O=C(CBr)N1CCc2ccccc2[C@@H](c2ccccc2)C1 550074 OCAVIGFZAPRJPF-QGZVFWFLSA-N 344.252 3.598 50 40 EHGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1O 9200795 UEYHSEKYGSVKED-VXLYETTFSA-N 332.787 3.517 50 40 EHGB C/C(=N\NC(=O)c1cc(O)cc(O)c1)c1ccc(-c2ccccc2)cc1 13322525 BDYLMOMJTCIHTE-HYARGMPZSA-N 346.386 3.919 50 40 EHGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OC)cc1 20764494 JGKMLFINMDZPFS-YBFXNURJSA-N 332.787 3.511 50 40 EHGB N#CC(C#N)=Cc1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12 331778 MYAPLLJHMVPBND-UHFFFAOYSA-N 344.349 3.850 50 40 EHGB O=C(CCCc1ccc(O)cc1)N/N=C/c1c(O)ccc2ccccc12 6283485 YMYWGTYMNBVTJL-HYARGMPZSA-N 348.402 3.724 50 40 EHGB N#C/C(=C\c1ccc(OCC(N)=O)c(Cl)c1)c1ccc(Cl)cc1 6321778 BKPCUILYBFBXBI-NTUHNPAUSA-N 347.201 3.922 50 40 EHGB O=C(N/N=C/c1ccc2c(c1)CCC2)c1c(O)ccc2ccccc12 6864897 OMKSERWDMBPLOF-LPYMAVHISA-N 330.387 3.798 50 40 EHGB C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1cccc2ccccc12 12566652 LWFLMKDSYSPPLD-YRXLECQKSA-N 346.386 3.520 50 40 EHGB O=C(Cl)c1ccc(I)c(C(F)(F)F)c1 16159880 PWGGMUYRAPCVIP-UHFFFAOYSA-N 334.462 3.689 50 40 EHGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2N)c1C 408589091 KPJABIPJCSEUTQ-YDZHTSKRSA-N 346.434 3.749 50 40 EHGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)C(C)(C)C)c(OCC)c1 132063 JUFOTEJJBQOPNB-GXDHUFHOSA-N 345.395 3.507 50 40 EHGB CCCSC1=C(C#N)[C@H](c2ccccc2C)[C@@H](C(=O)OC)C(O)=N1 2476053 FCGYZQQVQOIDPU-LSDHHAIUSA-N 344.436 3.716 50 40 EHGB N#C/C(=C\c1c(F)cccc1Cl)C(=O)NCCc1ccccc1 7158671 NMIAFUUAGPJVJV-SDNWHVSQSA-N 328.774 3.745 50 40 EHGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(Cl)c2)[C@@H]2CCCC=C12 20792241 GXSFDSIRECSAPR-WBVHZDCISA-N 334.810 3.934 50 40 EHGB CN(C)c1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 222940 XVKJUHVQNQNPAA-VXLYETTFSA-N 336.222 3.823 50 40 EHGB CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 306782 MRSUCWOKIVTVLP-YRNVUSSQSA-N 346.726 3.978 50 40 EHGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(N)=O 3254355 COXFJFGJPMGSEH-LDADJPATSA-N 328.371 3.811 50 40 EHGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)NCc1ccco1 3570354 UGGWZMRKVPABCE-RVDMUPIBSA-N 332.359 3.665 50 40 EHGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C[C@H]2C=CC[C@H]12 4155791 HRBVLWOKJJRCCI-YNTUNCNZSA-N 339.222 3.829 50 40 EHGB CC(C)(C)c1[nH]nc2c1[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 4721652 LMESIRCRSIDNSV-LBPRGKRZSA-N 328.803 3.579 50 40 EHGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 6959707 GDXDLPHJKHCNPJ-LFIBNONCSA-N 336.391 3.812 50 40 EHGB CC(=O)N/N=c1/scc(-c2ccc(Cl)cc2)n1-c1ccccc1 26507118 UMQHEJSCILNQMK-LVZFUZTISA-N 343.839 3.811 50 40 EHGB COc1c(Br)cc(C(=O)Cl)cc1Br 26508550 OUMLAMVDXFJCPD-UHFFFAOYSA-N 328.387 3.599 50 40 EHGB Cc1oc(-c2ccccc2I)nc1CCl 199561093 MWEHRRBAQUOCLK-UHFFFAOYSA-N 333.556 3.993 50 40 EHGB CCCC[C@H](C(=O)NN)N1c2cc(C)c(C)cc2[C@@H](C)CC1(C)C 223230074 PJYISFIADJDPHZ-DOTOQJQBSA-N 331.504 3.944 50 40 EHGB COc1ccc(CNC(=O)/C(C#N)=C\c2c(F)cccc2Cl)cc1 255495215 RYJKKIRYURBITH-LCYFTJDESA-N 344.773 3.711 50 40 EHGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 409132931 PJGAFKJXDWLEIO-FHXOWUIVSA-N 343.408 3.534 50 40 EHGB N#C/C(=C\c1cccc(O)c1)C(=O)Nc1cccc(Br)c1 448642 YJHMCXWWVBQWCC-KPKJPENVSA-N 343.180 3.700 50 40 EHGB CCOC(=O)c1c(NC(=O)[C@@H](Cl)CC)sc2c1CCCC2 495666 HYOCYZKRHFTIJY-JTQLQIEISA-N 329.849 3.760 50 40 EHGB C/C(=N/NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(C)o1 4147427 NXJIDQGTRZXIRP-HKWRFOASSA-N 328.412 3.939 50 40 EHGB O=C1[C@H](Cl)N(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1c[nH]c2ccccc12 5594137 PYJHBQWXRZSGTI-NVXWUHKLSA-N 341.754 3.771 50 40 EHGB N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1 12321010 UZVBXQDHMVRALQ-UZLBHIALSA-N 342.398 3.895 50 40 EHGB Cc1ccc(/C=N/NC(=O)CSCc2ccccc2)c(C)c1C 58927797 ZXOXWGVIAZZUJM-RGVLZGJSSA-N 326.465 3.995 50 40 EHGB CCOc1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc1OCC 107903132 AUXSGANXTVQCTR-HMDNEBRLSA-N 344.455 3.760 50 40 EHGB N#CCOC(=O)c1cc(-c2ccc(C=C(C#N)C#N)o2)ccc1Cl 4953885 ALGRIKYTQREPBL-UHFFFAOYSA-N 337.722 3.711 50 40 EHGB Cl[C@@H]1OC(Cl)(Cl)C(Cl)(Cl)OC1(Cl)Cl 100368582 QESFVSBDBUGOEW-PVQJCKRUSA-N 329.221 3.992 50 40 EHGB Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1N1CCOCC1 108011421 ZAOYUNGIXWEGLI-PDGQHHTCSA-N 349.390 3.804 50 40 EHGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(C)c2)c1 408746393 SLYHEJGDDQFVAS-WJDWOHSUSA-N 336.391 3.948 50 40 EHGB C/C(=N/NC(=O)Cc1cccs1)c1cccc(Br)c1 5024840 IYFJCUIZHFLZQZ-YBEGLDIGSA-N 337.242 3.594 50 40 EHGB CC(C)CCSC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)CC(=O)N1 529231 YLGFSJLXFGFGJF-CYBMUJFWSA-N 344.436 3.533 50 40 EHGB CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1 4451032 LRLGWJMPJIVGBJ-QGZVFWFLSA-N 325.799 3.624 50 40 EHGB O=S1(=O)CC2[C@@H](c3ccccc3)C([C@@H]1Cl)[C@@H]2c1ccccc1 4533019 TUXHSCPCLFNSMG-VSQHIIRESA-N 332.852 3.793 50 40 EHGB CCCCOc1ccccc1/C=N\NC(=O)[C@H](C)Oc1ccccc1 4544322 MRFLXVYIBRDAED-NOEYKIMYSA-N 340.423 3.783 50 40 EHGB CCOc1ccc(Br)cc1/C=N/NC(=O)OC(C)(C)C 4679043 UTVKVDLLAGQZKG-CXUHLZMHSA-N 343.221 3.706 50 40 EHGB CCCOc1ccc(/C=N\NC(=O)c2ccc(C)cc2)cc1OCC 83331735 MVGMWVPEXDAGQW-STZFKDTASA-N 340.423 3.946 50 40 EHGB N#CC1=C(N2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)CC2=C1CCCCC2 100754795 MJDSUSKSMGMFIX-CABCVRRESA-N 342.826 3.946 50 40 EHGB CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1cccs1 496313 RFBNCRCXEUYGNV-HNNXBMFYSA-N 335.388 3.581 50 40 EHGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1 16400333 KAQJKUPSKSAUKT-WOJGMQOQSA-N 334.828 3.678 50 40 EHGB Cc1ccc(C)c(OCC(=O)N/N=C/C2=CC[C@@H]3C[C@H]2C3(C)C)c1 20931679 JRHHNXRSYVBZFO-UWPUCLODSA-N 326.440 3.777 50 40 EHGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)o1 408726454 SVRGBAMUKKAKDD-VCHYOVAHSA-N 339.307 3.520 50 40 EHGB CSc1nc(-c2ccc([N+](=O)[O-])cc2)nc(C(Cl)Cl)n1 973481 SLSBTJGHGLHZFG-UHFFFAOYSA-N 331.184 3.645 50 40 EHGB O=[N+]([O-])c1ccc(N/N=C2\c3ccccc3[C@H]2Cl)c([N+](=O)[O-])c1 4273569 ZVJYYXUDNBIUBA-UDIPDBSGSA-N 332.703 3.613 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2ccccc2Cl)c(OCC)c1 408586430 CARQKOHINIKCBI-UDWIEESQSA-N 346.814 3.901 50 40 EHGB Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1cccc(F)c1 408994830 JTCRGXUGDUKNEH-UCQKPKSFSA-N 349.409 3.926 50 40 EHGB CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(C)nc1 261548 WLWVBZCRFXOTJV-LPYMAVHISA-N 333.391 3.706 50 40 EHGB C/C(=N\NC(=O)c1cc(C)oc1C)c1ccc(Cl)c([N+](=O)[O-])c1 5119611 XJQRNTPVCGMUSQ-RQZCQDPDSA-N 335.747 3.612 50 40 EHGB CCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2)cc1 5792362 VLXXRWKIJYLZOY-UHFFFAOYSA-N 340.423 3.721 50 40 EHGB CC1(C)OB(c2ccc(CO[Si](C)(C)C(C)(C)C)nc2)OC1(C)C 206102246 WCTPDCGIBGLHHJ-UHFFFAOYSA-N 349.356 3.903 50 40 EHGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 408566692 IKNVGUFJPJSYMQ-DEDYPNTBSA-N 339.395 3.585 50 40 EHGB CCCCCCC(=O)N/N=C/c1cc(Br)ccc1O 2676178 JAYSMULNFMLPGM-MHWRWJLKSA-N 327.222 3.575 50 40 EHGB C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 4306485 QODBGVPQLWXHRB-VFCZSMPISA-N 337.335 3.857 50 40 EHGB C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)c1ccccc1Cl 4551596 HCZMZCFRMDSNLC-FYJGNVAPSA-N 343.814 3.783 50 40 EHGB COc1ccc(/C=N/NC(=O)c2cccc(C)c2)cc1Br 6216758 BNRIBHXHGSGMSX-VCHYOVAHSA-N 347.212 3.530 50 40 EHGB Cc1c(C(=O)NNC(=O)c2oc3ccccc3c2C)oc2ccccc12 17447964 NBPGHOCFHGXJCN-UHFFFAOYSA-N 348.358 3.871 50 40 EHGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)c(O)c(C)c2)cc1 33772782 SUGVJKURLAJIDO-WJDWOHSUSA-N 336.391 3.953 50 40 EHGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1CCc1ccccc1 107355366 MEGWUQDENBUDFU-INIZCTEOSA-N 342.402 3.879 50 40 EHGB COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)c(OC)c1C 408936075 FGTKBTTZUSDJGA-JAIQZWGSSA-N 338.363 3.522 50 40 EHGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1C 222652 CVSHDGHHSSYDLE-CIAFOILYSA-N 334.375 3.626 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OC)c1 7164310 XVUBFUUEBKVGHU-MHWRWJLKSA-N 336.391 3.866 50 40 EHGB N#C/C(=C/C=C/c1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 13425324 FXZPXCKPDRIGGO-CVCOPPNTSA-N 341.414 3.990 50 40 EHGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1N1CCCCC1 23224764 LJAHQOBVTVXMSC-QGOAFFKASA-N 349.434 3.802 50 40 EHGB CCc1ccc(CC(=O)N/N=C\c2ccc(Br)cc2)cc1 409363666 LZDNEAZBUKNYFE-UNOMPAQXSA-N 345.240 3.704 50 40 EHGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(Cl)nc1 165709 KBMNZDDTZRXECU-CNHKJKLMSA-N 328.586 3.806 50 40 EHGB CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1cccs1 5593110 UESSKJUOELXPSU-DEDYPNTBSA-N 338.432 3.993 50 40 EHGB Cc1ccc(C(=O)N/N=C/[C@H](C)Cc2ccc3c(c2)OCO3)cc1C 5942589 PIVZMSQHKZUXOC-SRRANQMSSA-N 338.407 3.627 50 40 EHGB Cc1ccc(/C=N/NC(=O)c2ccccc2C)cc1Br 9201149 HWPWFLXYZBPOJP-VCHYOVAHSA-N 331.213 3.830 50 40 EHGB Cc1ccc(Cn2cc(/C=C(/C#N)C(=O)N(C)C)c3ccccc32)cc1 59334596 SDIUGJDUGMJRNJ-PDGQHHTCSA-N 343.430 3.993 50 40 EHGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OC 408743955 CSJPEJRNWJIXTJ-LGMDPLHJSA-N 348.402 3.978 50 40 EHGB COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)c2ccccc12 409225018 LOSDWFUGGPRAON-XKZIYDEJSA-N 336.366 3.680 50 40 EHGB CCCCSC1=C(C#N)C(=O)N[C@@H](c2ccc(N(C)C)cc2)S1 2052533 ATEKGCNOICIETP-MRXNPFEDSA-N 347.509 3.883 50 40 EHGB COc1cccc(C(=O)N/N=C/c2ccc(C)c(Br)c2)c1 5795063 GMLDDUZQOMFENV-VCHYOVAHSA-N 347.212 3.530 50 40 EHGB Cc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 6272695 KPOPRHCFKHAGBX-FYJGNVAPSA-N 347.374 3.604 50 40 EHGB CCC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 12809218 YPDRIRLVJOHHQC-UHFFFAOYSA-N 348.855 3.803 50 40 EHGB N#CSCC(=O)Nc1ccc2nc(-c3cccc(F)c3)oc2c1 216857214 VLKFKAWOKJAKDP-UHFFFAOYSA-N 327.340 3.787 50 40 EHGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(F)cc3)cc2c1 409188400 YYECUJMZTAPRPO-JAIQZWGSSA-N 326.327 3.735 50 40 EHGB O=C(COc1ccc2ccccc2c1)N/N=C/c1c[nH]c2ccccc12 257854 BQFFRKSVMIPTBD-YDZHTSKRSA-N 343.386 3.850 50 40 EHGB O=C(N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1)Nc1ccccc1 509608 ZVFCWPYSHQJPJQ-UDWIEESQSA-N 349.346 3.800 50 40 EHGB Cc1ccc(C(=O)NNc2nc(-c3ccc(O)cc3)cs2)cc1 1415089 XQDJWILPNLBGSR-UHFFFAOYSA-N 325.393 3.581 50 40 EHGB CC1=C(C#N)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 1442221 PTNJUAAWGHURAQ-MRXNPFEDSA-N 343.770 3.740 50 40 EHGB CCO[C@@]1(c2ccccc2)C[C@H]1C(=O)N/N=C/[C@@H](C)c1ccccc1 4844424 UIBFZWQDCJLLTE-JSTASQNKSA-N 336.435 3.844 50 40 EHGB C#CCOc1ccc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)cc1OC 5027153 WNEBAPITZLBFFF-LFIBNONCSA-N 343.386 3.956 50 40 EHGB CCOc1ccc(C(=O)N/N=C/c2ccccc2OC(C)C)cc1 20764467 JHERVNUNKCMAKP-DEDYPNTBSA-N 326.396 3.636 50 40 EHGB O=C(Cc1ccccc1O)NN(Cc1ccccc1)c1ccccc1 65474500 HVYXMSNLPHCBBJ-UHFFFAOYSA-N 332.403 3.673 50 40 EHGB CN(C)c1ccc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1 408565809 ARVSVDJGURAYCH-PXLXIMEGSA-N 337.467 3.743 50 40 EHGB C=CCOc1cccc(/C=N/NC(=O)c2cc3ccccc3cc2O)c1 4502830 MRWVVYWVLRFJTH-HYARGMPZSA-N 346.386 3.874 50 40 EHGB Cc1c(/C=N\NC(=O)c2ccccc2Cl)c2ccccc2n1C 169886214 SGVATDXCCYFKRP-JAIQZWGSSA-N 325.799 3.904 50 40 EHGB CCC(=O)Nc1ccc(C(=O)N/N=C(\c2ccccc2)C(C)C)cc1 588274 FCYUZDZCLUIOFV-QOCHGBHMSA-N 337.423 3.825 50 40 EHGB CCOc1ccccc1/C=N/NC(=O)COc1ccc(Cl)c(C)c1 566289 QVOZQFMDCCZLOS-RGVLZGJSSA-N 346.814 3.576 50 40 EHGB N#C/C(=C\c1cccs1)c1nc2ncc(Br)cc2[nH]1 4676714 ARZLTJNMHNKCID-XBXARRHUSA-N 331.198 3.846 50 40 EHGB CC(/C=C/c1ccccc1F)=N\NC(=O)CCc1ccccc1O 5288170 RFTNOCXAQXBDTQ-QQQPHYRHSA-N 326.371 3.669 50 40 EHGB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)NC(C#N)=C(Cl)Cl 27562301 AFTMDBUWOXYFQD-XRGYYRRGSA-N 328.026 3.864 50 40 EHGB COc1cccc(C(=O)N/N=C/c2c(OC)ccc3ccccc23)c1 59433187 UMMXVVNRQZOHBJ-FYJGNVAPSA-N 334.375 3.621 50 40 EHGB O=C(CBr)Nc1ccc(OCCCC(F)(F)F)cc1 96508966 KJIPDWVTKDVYFC-UHFFFAOYSA-N 340.139 3.741 50 40 EHGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)c(O)c1 485139 QRVSVBKVCWZORQ-UDWIEESQSA-N 345.830 3.656 50 40 EHGB O=C(N/N=C/c1cccc(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 486732 CVIKHFBTUKYVII-CAOOACKPSA-N 338.150 3.666 50 40 EHGB Oc1ccc2ncc(CBr)c(CBr)c2c1 1610996 ZPUJQRQRVNDJIY-UHFFFAOYSA-N 331.007 3.730 50 40 EHGB COc1ccc(O)c(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1 1453971 AQKMFEYKRKIWKR-XYOKQWHBSA-N 328.755 3.600 50 40 EHGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 5900791 BDVPDIBRYBBXEO-YFHOEESVSA-N 346.726 3.978 50 40 EHGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(NC(C)=O)cc2)cc1 6343502 RKIXZHNQQOJJED-ATVHPVEESA-N 333.391 3.753 50 40 EHGB CCCOc1ccc(/C=N/NC(=O)COc2c(C)cccc2C)cc1 8497376 HUZMFBWSSYHCIS-FYJGNVAPSA-N 340.423 3.621 50 40 EHGB COc1cc(OC)cc(C(=O)N/N=C\c2ccc(C(C)(C)C)cc2)c1 38712844 NMWKIMCLASCOGU-BKUYFWCQSA-N 340.423 3.765 50 40 EHGB CCOC(=O)c1sc(NC(=O)c2ccco2)c(N=C=S)c1C 1529012650 RZUAHYWMPUNVQO-UHFFFAOYSA-N 336.394 3.813 50 40 EHGB C/C(=N\NC(=O)Cc1cn2ccsc2n1)c1cccc2ccccc12 4863665 WBHPCDNMSSGXSA-FYJGNVAPSA-N 348.431 3.632 50 40 EHGB Cc1occc1C(=O)N/N=C/C(Br)=C\c1ccccc1 5024604 JLHFRTYOQNRVGP-HFRXNJIXSA-N 333.185 3.740 50 40 EHGB CC(C)CC(=O)NNC(=O)[C@H](Sc1ccccc1)c1ccccc1 24752061 RYDWZQWMOKIZFA-GOSISDBHSA-N 342.464 3.714 50 40 EHGB N#C/C(=C\Nc1ccc(F)c(Cl)c1)C(=O)NCc1ccccc1 102581304 RPKZZFMAXQIZNO-ACCUITESSA-N 329.762 3.615 50 40 EHGB O=[P@]1(N(CCCl)CCCl)Nc2cccc3c2N1CCC3 104136292 MSUIXPBKUBGVPN-FQEVSTJZSA-N 334.187 3.752 50 40 EHGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Br)o1 408743149 DYOGPKBEELUTMW-FLIBITNWSA-N 331.169 3.896 50 40 EHGB CCOc1ccc2oc(C(=O)N/N=C\c3cccc(OC)c3)cc2c1 409187583 SCZJSPBVYFOPCW-NDENLUEZSA-N 338.363 3.604 50 40 EHGB N#Cc1ccccc1-c1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)o1 409238846 NZWYWSLMLVXVJW-QRVIBDJDSA-N 347.349 3.650 50 40 EHGB O=S(=O)(CCl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2243837 REJBLWKZAHZZKV-UHFFFAOYSA-N 326.645 3.694 50 40 EHGB CS/C(Nc1ccccc1)=C(/C#N)S(=O)(=O)c1ccc(C)cc1 13467518 ZTLISWHDZCAMBQ-MSUUIHNZSA-N 344.461 3.937 50 40 EHGB COc1cccc([C@@H]2[C@@H]3C[C@H](C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 100670604 LWQBCYAGJBCXKH-OMWUSAIZSA-N 344.418 3.535 50 40 EHGB C/C(=N/NC(=O)CCn1cnc2ccccc21)c1ccc(Cl)cc1 551223 OHJBOQQAOKPEFD-BKUYFWCQSA-N 340.814 3.620 50 40 EHGB CC(=O)N/N=C/c1ccccc1OCCCOc1cc(C)ccc1C 4615046 OKYLMNKTHBNFFO-KGENOOAVSA-N 340.423 3.621 50 40 EHGB CC/C(Cc1ccccc1)=N\NC(=O)c1cccc(N2CCCC2=O)c1 5385001 IIURFOTXVYQTCV-RELWKKBWSA-N 349.434 3.552 50 40 EHGB COc1ccc([C@H](CNC(=O)CCl)c2c[nH]c3ccccc23)cc1 8183727 MSZWASJIPMGWPH-INIZCTEOSA-N 342.826 3.663 50 40 EHGB Cc1ccc(C(=O)NNc2oc(-c3ccc(C)cc3)nc2C#N)cc1 28405947 NYQUFAZPBSGKGD-UHFFFAOYSA-N 332.363 3.587 50 40 EHGB Cn1c(CNC(=O)CCCC[C@H]2CCSS2)nc2ccccc21 61526462 PYJIAYVKNZEVAE-ZDUSSCGKSA-N 349.525 3.904 50 40 EHGB CCN1c2ccc(/C=N/NC(=O)c3ccncc3)cc2C(C)=CC1(C)C 208508526 HKFVZSDSIKPQMF-OEAKJJBVSA-N 348.450 3.867 50 40 EHGB COc1ccc(CC(=O)NN=C2CCC(C(C)(C)C)CC2)cc1OC 408826240 COKGKTPVVOVVHR-UHFFFAOYSA-N 346.471 3.955 50 40 EHGB COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 409178754 OHPCDJPMXLPUDU-UDWIEESQSA-N 349.346 3.521 50 40 EHGB O=c1c(CBr)cccn1Cc1c(F)cccc1Cl 159529 YOHCRGZOCBIKJP-UHFFFAOYSA-N 330.584 3.584 50 40 EHGB C/C(=N\NC(=O)CSCc1cc(C)cc(C)c1)c1ccccc1O 4565072 OHMXYXZECBMEOL-HMMYKYKNSA-N 342.464 3.783 50 40 EHGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1ccccc1Cl 5722749 SZGKDDFPNZWKOH-XEQXHXIFSA-N 337.206 3.911 50 40 EHGB Cc1cc2c(cc1/C=N/NC(=O)CC#N)[C@@H](C)CC(C)(C)N2C(C)C 223588287 JFFDOHXMBJTVIL-OOXYOOLHSA-N 340.471 3.859 50 40 EHGB O=C(CBr)c1cc(Br)ccc1OC(F)F 604221503 CWTAQJZBUJMNNY-UHFFFAOYSA-N 343.949 3.628 50 40 EHGB O=C(N/N=C/c1ccccc1O)c1cc(C2CC2)nc2ccccc12 138960 BPUWCWIELLOWQC-CIAFOILYSA-N 331.375 3.582 50 40 EHGB Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 6210470 BOKJZINVJHVEID-DJKKODMXSA-N 347.205 3.713 50 40 EHGB COc1ccc(NC(=O)/C(C#N)=C\c2sccc2C)cc1OC 8511312 NUKKHVCUSGDJDU-WQLSENKSSA-N 328.393 3.619 50 40 EHGB O=C(N/N=C/C(Br)=C\c1ccccc1)c1cccs1 13114155 XZRHAUPXEHCGFW-JXTNESPGSA-N 335.226 3.900 50 40 EHGB C/C(=N\NC(=O)c1cc(C2CC2)n[nH]1)c1ccc(Cl)c(Cl)c1 16977803 WFSZTMVFRCSDQX-QGMBQPNBSA-N 337.210 3.748 50 40 EHGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1 408802657 ZYIQLOXAAIAZHM-FOWTUZBSSA-N 335.407 3.615 50 40 EHGB CCOc1ccccc1/C=N/NC(=O)Cc1cccc2ccccc12 486793 XSUIYFWKFTWDQH-PXLXIMEGSA-N 332.403 3.931 50 40 EHGB C/C(=N\NC(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 4966271 XJSGWAPVLOSCHB-RGVLZGJSSA-N 345.786 3.657 50 40 EHGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(F)cc1 5568642 XZMLAVOZQBRRKT-DJKKODMXSA-N 336.819 3.863 50 40 EHGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1O 69008437 PBYHSVBZGQGPCS-GHXNOFRVSA-N 328.755 3.600 50 40 EHGB Cc1occc1C(=O)NNc1ccc(Br)cc1Cl 69419872 LGVUMRGPUWUYSO-UHFFFAOYSA-N 329.581 3.761 50 40 EHGB COc1cc(C=C(C#N)C#N)ccc1OCc1ccccc1[N+](=O)[O-] 113833503 YEGHNEXBEZHOOX-UHFFFAOYSA-N 335.319 3.613 50 40 EHGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)CC#N)cc21 223501304 YSDWWBWGKZRYDD-WSDLNYQXSA-N 338.455 3.769 50 40 EHGB N#CCn1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c2ccccc21 408746676 VIOGGFJJCPIHRK-QINSGFPZSA-N 326.359 3.711 50 40 EHGB CC(C)(C)OC(=O)N1CCCC(=O)[C@H]1CO[Si](C)(C)C(C)(C)C 953091135 PDLDRWRLVJTIFZ-CYBMUJFWSA-N 343.540 3.977 50 40 EHGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1c[nH]c2ccccc12 131797 XAJBLPHVACHSPD-ZMOGYAJESA-N 342.402 3.883 50 40 EHGB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(SC#N)cc1 13118237 UJJMGBTZVLUBJS-BOPFTXTBSA-N 334.404 3.978 50 40 EHGB N#C/C(=C\c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 44024854 MEBWAIGWHCGNEB-RIYZIHGNSA-N 339.750 3.957 50 40 EHGB C/C(=N\NC(=O)CSCc1ccccc1C)c1ccc(F)cc1 58915531 SSAQCOBGTDWZCI-XSFVSMFZSA-N 330.428 3.908 50 40 EHGB Cc1occc1C(=O)/C(C#N)=C\c1ccc(O)c(Br)c1 96765791 YFGBHHQSAHRQIB-WDZFZDKYSA-N 332.153 3.846 50 40 EHGB O=C(COc1ccccc1Cl)N/N=C\c1ccc(Cl)s1 408968412 YQCIOHYBGCVIDZ-APSNUPSMSA-N 329.208 3.584 50 40 EHGB Cc1ccc(NC(=O)COc2cccc(C=C(C#N)C#N)c2)cc1C 409006199 HQFHKPHQPISOIX-UHFFFAOYSA-N 331.375 3.752 50 40 EHGB CO[P@](=O)(CCl)OCCCCO[P@@](=O)(CCl)OC 1581006 MEOUAEMQHKPNLB-QZTJIDSGSA-N 343.080 3.871 50 40 EHGB C=C(Cl)CO[P@@](=O)(CCl)N(CCCl)CCCl 1687441 USGSFNVFPPOOKG-INIZCTEOSA-N 328.991 3.925 50 40 EHGB Cc1ccc(/C(=N/NC(=O)c2ccccc2O)c2ccccc2)cc1 4545573 PQFUHJODSZIPHP-LSDHQDQOSA-N 330.387 3.883 50 40 EHGB COc1ccc(CC(=O)N/N=C\c2cccc3ccccc23)cc1OC 59515916 YDRCVFGLDXBUIU-HMAPJEAMSA-N 348.402 3.550 50 40 EHGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1 74003644 WPYOMTHFZOKRDP-SSZFMOIBSA-N 335.407 3.697 50 40 EHGB CCc1sc(/C=C(/C#N)C(=O)OC(C)C)cc1Br 43800 BCQOARNNGSHRQM-UITAMQMPSA-N 328.231 3.932 50 40 EHGB C/C(=N\NC(=O)COc1ccc(C)cc1Br)C(C)(C)C 4526148 XSIHVLGBCXWLIV-GZTJUZNOSA-N 341.249 3.675 50 40 EHGB N#C/C(=C/c1cccnc1)C(=O)Nc1ccc(SC(F)F)cc1 12910264 OHAATDBKCHHTIB-WQLSENKSSA-N 331.347 3.942 50 40 EHGB COC(=O)c1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc1 23218004 UGYJLKGFVNENBF-XNTDXEJSSA-N 330.343 3.744 50 40 EHGB CNc1ccc(/C=C(\C#N)C(=O)c2sccc2C)cc1[N+](=O)[O-] 44028524 IZYQTZFXJBJCNL-KPKJPENVSA-N 327.365 3.796 50 40 EHGB N#C/C(=C/c1cccc(Cl)c1)c1nc(N)nc(Nc2ccccc2)n1 58192162 RTXZVVWQYDVWFG-LCYFTJDESA-N 348.797 3.915 50 40 EHGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccccc2Cl)cc1 59515504 MZRVYZGQRRKGPA-RGVLZGJSSA-N 343.814 3.552 50 40 EHGB FC(F)(F)c1nc2nc(C(Cl)Cl)nc(-c3ccccc3)n2n1 101425418 MNHLSYQOSMOPSK-UHFFFAOYSA-N 348.115 3.681 50 40 EHGB CCn1cccc1/C=C(/C#N)C(=O)Nc1ccc(Br)cc1 408931623 OCSGJRFMDUTTJH-BENRWUELSA-N 344.212 3.816 50 40 EHGB N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccc(Cl)cc1)Nc1ccccc12 494925 RCTUWGWKFCVBCV-KRWDZBQOSA-N 345.793 3.798 50 40 EHGB COc1cc(/C=C(\C#N)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC 1078138 YZZKABOCMLXMJQ-NTUHNPAUSA-N 328.299 3.815 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2ccccc2C)c(OCC)c1 9201140 KXVGYVJYKKVERN-DEDYPNTBSA-N 326.396 3.556 50 40 EHGB O=C(CNc1ccccc1Cl)N/N=C1\CCCc2ccccc21 18062439 OMLKGEBZMVVBTK-LTGZKZEYSA-N 327.815 3.609 50 40 EHGB O=C(N/N=C\c1ccc2c(c1)CCC2)c1cc2ccccc2cc1O 31719627 VNWOOBPTCNRICN-XKZIYDEJSA-N 330.387 3.798 50 40 EHGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccsc1 38205767 OXKPNDACCGXMCE-SOFYXZRVSA-N 329.208 3.584 50 40 EHGB Brc1cccc(C(Br)Br)n1 101465583 DADDHGFITKVJIW-UHFFFAOYSA-N 329.817 3.633 50 40 EHGB Cc1c(C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)sc(N)c1C#N 408723810 QGYDCAVWDZPWIC-UFFVCSGVSA-N 340.452 3.572 50 40 EHGB O=C(O)c1ccccc1-c1ccccc1C(=O)NNc1ccccc1 330479 QMSFIJCQWXXUCV-UHFFFAOYSA-N 332.359 3.809 50 40 EHGB Cc1cc(Br)c(NC(=O)CCl)c(Br)c1 2577703 MVANPTOKDQBBEW-UHFFFAOYSA-N 341.430 3.697 50 40 EHGB Cc1ccsc1/C=C(\C#N)c1nc(N)nc(Nc2ccccc2)n1 11183378 RAHAIAAXEGNYCO-FMIVXFBMSA-N 334.408 3.632 50 40 EHGB Cc1cc(Br)c2nc(NC(=O)[C@@H](C)Cl)sc2c1 20131906 UDXBEEZDYOULST-ZCFIWIBFSA-N 333.638 3.933 50 40 EHGB N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)O 20916579 RYZSJIHUHXKJLK-XYOKQWHBSA-N 326.739 3.584 50 40 EHGB Cc1ccc(COc2cccc(/C=N/NC(=O)c3cccnc3)c2)cc1 409373052 SJQCWZSMIZHMFL-YDZHTSKRSA-N 345.402 3.733 50 40 EHGB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1cccnc1 219812 JYTYWFGTQHGZHO-PFRBSUFTSA-N 345.402 3.666 50 40 EHGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2c(C)cc(C)cc2C)cc1 358090 GQJSFFQXUGHIJT-CIAFOILYSA-N 337.423 3.724 50 40 EHGB Cc1c(Cl)cccc1NCC(=O)N/N=C1\CCCc2ccccc21 586213 BQROFFBEINXDQH-RELWKKBWSA-N 341.842 3.917 50 40 EHGB N#CC1=C(N)OC2=C(COc3ccccc32)[C@H]1c1cccc(Cl)c1 809487 VVNOSVPLSNCGEW-KRWDZBQOSA-N 336.778 3.951 50 40 EHGB biogenic,in-vitro CC1=CC(C)(C)N(C)c2ccc(/C=N\NC(=O)c3ccccc3O)cc21 208439866 NMXHHOQXGABTQH-XKZIYDEJSA-N 349.434 3.788 50 40 EHGB O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1cccc([N+](=O)[O-])c1 408752410 ALWBLZKLWGTRPY-CIAFOILYSA-N 345.358 3.611 50 40 EHGB O=C(CSCc1ccccc1Cl)NN=C(CCl)CCl 409176696 VJXFURWWLMZUNW-UHFFFAOYSA-N 339.675 3.523 50 40 EHGB COc1ccc2c(c1)[C@H](Br)CC[C@H](Br)C2=O 5493206 KIVSZMPDGICDRE-MNOVXSKESA-N 348.034 3.871 50 40 EHGB Cc1ccc(CC(=O)N/N=C\c2cccc(Br)c2)c(C)c1 216045419 UMLHCAQSVRHBSZ-ODLFYWEKSA-N 345.240 3.759 50 40 EHGB CCCC[C@@H](C(=O)NN)N1c2ccc(Cl)cc2[C@H](C)CC1(C)C 260619575 NZTNSIGOGHSBDF-WBMJQRKESA-N 337.895 3.981 50 40 EHGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(C)c3C)cc2c1 409187553 RUGUAUXGYSGQDA-JAIQZWGSSA-N 339.395 3.551 50 40 EHGB CC(=C/c1ccccc1)/C=N/NC(=O)c1cc(-c2ccccc2)n[nH]1 228984 IWIWMOOCCJKAEY-HQMCVCOQSA-N 330.391 3.896 50 40 EHGB COc1cccc(/C(C)=N/NC(=O)Cc2cccc3ccccc23)c1 5381588 SWRJDQLGVBYADP-PXLXIMEGSA-N 332.403 3.931 50 40 EHGB CCc1cc(CC)c([C@H]2C(C#N)=C(N)Nc3n[nH]c(C)c32)c(CC)c1 5399977 MNLZHTZXIGFOGX-SFHVURJKSA-N 335.455 3.657 50 40 EHGB CCN1C(=O)C(C#N)=C(C)/C(=C\Nc2ccc(C(C)(C)C)cc2)C1=O 9061312 DZQXYYVTZOOMSJ-SFQUDFHCSA-N 337.423 3.509 50 40 EHGB CCn1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c2ccccc21 408747947 WADCBXPBNWGPJG-ATVHPVEESA-N 329.403 3.885 50 40 EHGB CCCC/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 5308081 PXKMOXVSASLDHH-XSLGSPGOSA-N 338.407 3.537 50 40 EHGB CCn1c(C)cc(/C=N\NC(=O)c2ccc(-n3cccc3)cc2)c1C 409074438 LRGYVOOAUSTHCK-STZFKDTASA-N 334.423 3.679 50 40 EHGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(SC)cc2)cc1 358095 KAKYZVOKJFRVPV-XDHOZWIPSA-N 341.436 3.521 50 40 EHGB CC(C)(C)c1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 3136453 LXJSTDHEFJIFLW-XDHOZWIPSA-N 325.368 3.656 50 40 EHGB COCOCCCCCCCCCCC[Si](OC)(OC)OC 198004546 OBXIFDQXSUCIMX-UHFFFAOYSA-N 336.545 3.996 50 40 EHGB O=C(N[C@H](C(=O)NN=C1CCCCC1)c1ccccc1)c1ccccc1 226008 YTMIFCIZTVKJLY-IBGZPJMESA-N 349.434 3.594 50 40 EHGB O=C(CCCC(=O)N/N=C/C1CCCCC1)N/N=C/C1CCCCC1 6158095 VDURWLDVDDNHPU-OZNQKUEASA-N 348.491 3.521 50 40 EHGB CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1OC 7158009 HNUNXPRXXQGFHE-HCIRMPLMSA-N 342.439 3.696 50 40 EHGB C/C(=N\NC(=O)c1ccc(F)cc1)c1cccc(Br)c1 13842481 UNZKHCBVDUWJRV-VCHYOVAHSA-N 335.176 3.742 50 40 EHGB COc1cc(C(=O)N/N=C2\C=C(C)CC2)ccc1OCCC(C)C 38333704 KVBBNZIZBVBVBE-SILNSSARSA-N 330.428 3.946 50 40 EHGB CCO[C@@]1(c2ccccc2)C[C@@H]1C(=O)N/N=C/[C@H](C)c1ccccc1 105310947 UIBFZWQDCJLLTE-HTUWPXJTSA-N 336.435 3.844 50 40 EHGB Cc1cc(C)c(COc2ccc(Cl)cc2)c(C)c1/C=N/NC(N)=O 2728235 ISAPMLIQJVTIJF-ZVBGSRNCSA-N 345.830 3.846 50 40 EHGB O=C(CCCCl)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 6508394 HJSWUMGXUDRBDH-UHFFFAOYSA-N 338.816 3.539 50 40 EHGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c(C)n1CC(C)C 13986613 XJGWBIOWGPLDNY-RGVLZGJSSA-N 335.451 3.984 50 40 EHGB C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)c1ccccc1 100522853 GLQZUTCZDVDSPV-HZHRSRAPSA-N 349.434 3.700 50 40 EHGB O=C(OCCCl)N(CN1CCCCC1)c1cccc(Cl)c1 255190056 USEZQLOYZOHNPW-UHFFFAOYSA-N 331.243 3.965 50 40 EHGB O=C(c1cc(F)cc(Cl)c1)[C@H](Br)CBr 306792285 AFCWOVCFEDCGLZ-MRVPVSSYSA-N 344.405 3.820 50 40 EHGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)o1 408804656 ZISNAVYGQJMYCY-JEPUIJPYSA-N 341.455 3.872 50 40 EHGB N#C/C(=C\c1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1F 337266 MUDINQXPRYMRRN-YRNVUSSQSA-N 345.717 3.933 50 40 EHGB C=CCn1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)c2ccccc21 573179 WNJWHKMNMLNIIC-HYARGMPZSA-N 347.418 3.529 50 40 EHGB O=C(N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12)c1cccnc1 3335319 RACOUYDWUWDXGF-OEAKJJBVSA-N 340.386 3.994 50 40 EHGB C/C(=N/NC(=O)c1cc(C)oc1C)c1cccc(Br)c1 4591837 OWSKWJOGVGZXHM-YVLHZVERSA-N 335.201 3.813 50 40 EHGB Cc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)CCl)cc1 9215927 WAEFHCKRBYJCQP-UHFFFAOYSA-N 340.810 3.609 50 40 EHGB Cn1nc(-c2ccccc2)nc1/C(C#N)=C/c1cnc(C(C)(C)C)nc1 585135850 FXKMFOOSEPFWFM-MHWRWJLKSA-N 344.422 3.634 50 40 EHGB Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C#N)c1C 5518410 FDYKKLMDIMZRCS-UHFFFAOYSA-N 342.358 3.534 50 40 EHGB N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(Br)cc1 16400141 ZDFNIFIWZSRYIY-XFXZXTDPSA-N 343.180 3.700 50 40 EHGB CC(C)=C[C@H]1[C@H](C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)C1(C)C 24714006 LJACUKPTNBTUQE-RNKCIKGZSA-N 344.499 3.589 50 40 EHGB COc1cccc(/C=N/NC(=O)CCSc2ccc(C)cc2)c1 409128189 DTPSLLSZZFZRRK-CPNJWEJPSA-N 328.437 3.636 50 40 EHGB N#CC1=C(N)Oc2ccc3ccccc3c2[C@H]1c1ccccc1[N+](=O)[O-] 584817 DXYCAKUELSHHMS-SFHVURJKSA-N 343.342 3.966 50 40 EHGB Cc1ccoc1C(=O)NNc1ccc(Br)cc1Cl 65566292 PCTDQVAADUFBLZ-UHFFFAOYSA-N 329.581 3.761 50 40 EHGB Cc1ccc(C(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])c(Cl)c1 4827507 RESBDXUXXPETRY-CMHRUIPMSA-N 343.770 3.986 50 40 EHGB CCc1ccc(CC(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1 409363673 MCYGXZGCEMWPQE-HYARGMPZSA-N 333.435 3.742 50 40 EHGB O=C(N/N=C\c1ccccc1Br)c1cc2ccccc2o1 83252378 SROAYPJPQNPRAN-ZDLGFXPLSA-N 343.180 3.959 50 40 EHGB C#CCn1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c2ccccc21 409370751 CXYILRBBFPQPTC-LPYMAVHISA-N 349.821 3.621 50 40 EHGB CCCCOc1ccccc1/C=N\NC(=O)[C@@H](C)Oc1ccccc1 4544320 MRFLXVYIBRDAED-KQRQPNSISA-N 340.423 3.783 50 40 EHGB O=C1[C@H](c2c[nH]c3ccccc23)N(c2cccc([N+](=O)[O-])c2)[C@@H]1Cl 5594167 PCQRBGZKNNBCAY-RDJZCZTQSA-N 341.754 3.771 50 40 EHGB O=C(NNc1ccccc1)c1cc2cc(Cl)cc(Cl)c2oc1=O 6885384 XNTCBODSEUCCPM-UHFFFAOYSA-N 349.173 3.857 50 40 EHGB COc1ccc(/C(C)=N\NC(=O)c2[nH]nc(-c3ccccc3)c2C)cc1 13619000 TXDZDXYHKPJNHV-STZFKDTASA-N 348.406 3.548 50 40 EHGB COc1cc(/C=C/C(=O)Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 218725201 UYZQFNOZRKUAFP-WEVVVXLNSA-N 347.754 3.961 50 40 EHGB CCOc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1 409239515 NLGLDVAILUIURL-CYVLTUHYSA-N 334.419 3.741 50 40 EHGB O=S(=O)(C[C@@H](Br)c1ccccc1)c1ccccc1 1666945 SGERLRDULGCSFU-CQSZACIVSA-N 325.227 3.597 50 40 EHGB C=CCOc1ccc(/C=N/NC(=O)c2cc3c(OC)cccc3[nH]2)cc1 2229794 BRSACKBWBUQLCK-FYJGNVAPSA-N 349.390 3.505 50 40 EHGB CCOC(=O)c1c(NC(=O)CCl)sc(C)c1C[C@@H](C)CC 3336130 BSWYNGSWMXLUNC-VIFPVBQESA-N 331.865 3.999 50 40 EHGB Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/C2CCCCC2)c1Cl 21730067 HDNYAHKZHZGTBD-NGYBGAFCSA-N 349.649 3.920 50 40 EHGB CN(C)c1ccc(-n2cccc2/C=N\NC(=O)Nc2ccccc2)cc1 28615371 IMROXICUQTWMCC-QNGOZBTKSA-N 347.422 3.699 50 40 EHGB Cn1/c(=N\NC(=O)Nc2ccc(Cl)cc2)sc2ccccc21 103610085 WERUQGQSPKQCMR-XDJHFCHBSA-N 332.816 3.531 50 40 EHGB CCOc1ccc(Cl)cc1/C=N\NC(=O)Cc1ccc(CC)cc1 409362347 JBLBHNNTGQQSNS-BKUYFWCQSA-N 344.842 3.994 50 40 EHGB Cc1ccc(Nc2nc(N)nc(/C(C#N)=C/c3ccccc3)n2)cc1 5348848 LMJOGONUUFLHBY-RVDMUPIBSA-N 328.379 3.570 50 40 EHGB CC/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 5914748 ARCICBMVSPUGOX-NBVRZTHBSA-N 331.759 3.792 50 40 EHGB Cc1csc(S[C@H](C)C(=O)C(C#N)=C2Nc3ccccc3N2)n1 7816624 LWNXCFPYZSHSAQ-SNVBAGLBSA-N 342.449 3.774 50 40 EHGB C/C(=N/NC(=O)c1ccc(-c2ccccc2)cc1)c1cc(O)cc(O)c1 15934549 VOHPQBQWKPMXOE-HMAPJEAMSA-N 346.386 3.919 50 40 EHGB O=P(Cc1ccc2c(c1)OCO2)(c1ccccc1)c1ccccc1 100133548 MSGXPWSOJLHSRE-UHFFFAOYSA-N 336.327 3.929 50 40 EHGB N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 3195933 SPHVLWHTZGQZHK-UHFFFAOYSA-N 341.330 3.878 50 40 EHGB COc1ccc(/C(C)=N/NC(=O)c2cc3ccccc3cc2O)cc1 5370244 GBERGUSNNHPWRM-FYJGNVAPSA-N 334.375 3.708 50 40 EHGB CCOc1ccc(CC(=O)N/N=C/c2ccccc2OC(C)C)cc1 10475911 RZGDRROEEZRUPY-KGENOOAVSA-N 340.423 3.565 50 40 EHGB Cc1cccc(-n2c(C)cc(/C=N\NC(=O)c3ccccn3)c2C)c1 13810019 SNERZGGMZCFVMY-XKZIYDEJSA-N 332.407 3.561 50 40 EHGB CC(C)N1CCC(=NNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 55082709 KNGOFHGDNRNXDT-UHFFFAOYSA-N 331.504 3.569 50 40 EHGB C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OC)c1O 60798755 ZGIVRRUVOXCRHG-RGVLZGJSSA-N 344.798 3.547 50 40 EHGB C#CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1 409358969 MFKJCHIGHPBPPT-GDNBJRDFSA-N 349.302 3.579 50 40 EHGB CCCc1ccc(OCC(=O)N/N=C/c2c(F)cccc2Cl)cc1 119122 JZAYVCIKJGSZBL-SRZZPIQSSA-N 348.805 3.961 50 40 EHGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cccs1 260419 PJVGGAGSHNBIDR-FRKPEAEDSA-N 329.208 3.584 50 40 EHGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4953714 AEOCAMFNGSUVSK-FMIVXFBMSA-N 327.727 3.794 50 40 EHGB CC(C)(C)C1=CC(=NNC(=O)c2cccnc2)C=C(C(C)(C)C)C1=O 5817197 MCYFPBQWTYELOJ-UHFFFAOYSA-N 339.439 3.695 50 40 EHGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(N(C)C)cc1 100195388 JOOFETYQWOADGJ-SXGWCWSVSA-N 341.418 3.761 50 40 EHGB C[C@H]1Oc2ccccc2C=C1/C=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1 5573440 QHICCWBFHMYACV-OWKMUSAYSA-N 332.403 3.757 50 40 EHGB N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)NC1CCCCC1 5945266 GNBWIUUGUVZPPS-FYWRMAATSA-N 327.428 3.626 50 40 EHGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(Br)cc1 100172178 OHEOKZNCXBDYNE-SUBNYSPWSA-N 335.245 3.726 50 40 EHGB Cc1oc(C)c2c(=O)ccc3c(c12)OC(N)=C(C#N)[C@H]3c1ccccc1 2193884 MXUJAKDFMUGPHN-IBGZPJMESA-N 344.370 3.628 50 40 EHGB COc1ccc([C@H](Cl)CSc2nnnn2-c2ccccc2)cc1 3149869 RMNBJWKVNYRJBI-OAHLLOKOSA-N 346.843 3.743 50 40 EHGB C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1cc(Cl)ccc1O 20195396 FYCWPGUBYGDKAF-DEDYPNTBSA-N 330.815 3.745 50 40 EHGB O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C\c1ccco1 28466866 FXXQMJXQESCTGB-STZFKDTASA-N 335.407 3.654 50 40 EHGB CC(=O)[C@@H](C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 104154858 RIKDWAFQZYRUJP-LJQANCHMSA-N 333.391 3.958 50 40 EHGB Cc1ccc(COc2ccc(/C=C(\C#N)C(N)=O)cc2Cl)cc1 408876417 OTXQIZUBDBBRSD-OVCLIPMQSA-N 326.783 3.620 50 40 EHGB O=C(NNC(=O)c1ccc(-c2cccc(Cl)c2)o1)c1ccccc1 5012576 KZUACHDCESIEML-UHFFFAOYSA-N 340.766 3.675 50 40 EHGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OC)cc1 6956919 YSUXQDVISBBBCJ-LFIBNONCSA-N 336.391 3.812 50 40 EHGB Cc1cc(/C=C/C(=O)NNc2ncccn2)c(C)n1C1CCCCC1 44716563 ZIWVETOOLOWLFJ-MDZDMXLPSA-N 339.443 3.557 50 40 EHGB COc1ccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1 100585194 KWVDDBVJSTWDAD-NVNXTCNLSA-N 328.375 3.704 50 40 EHGB COc1ccc(Br)cc1/C=N\NC(=O)Nc1ccccc1 136949113 MNYYOFMDKTVKHT-YVLHZVERSA-N 348.200 3.613 50 40 EHGB CCOc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC 408852151 ISOUFTCTAWRNAB-NDENLUEZSA-N 338.363 3.604 50 40 EHGB CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)NN)c2c1 2569011 GLMOFCDECYSZGC-UHFFFAOYSA-N 325.799 3.721 50 40 EHGB O=C(N/N=C/c1cccc(Cl)c1)c1ccc(N2CCCC2)cc1 7384898 MNFSJYHWNDQZOW-DEDYPNTBSA-N 327.815 3.704 50 40 EHGB O=C(NN=C1CCCC1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 20933858 NOZBSJPPFNSZMJ-UHFFFAOYSA-N 345.406 3.594 50 40 EHGB Cc1cccc(C(=O)[C@@H](Br)CBr)c1Cl 306952237 HEDZRSMVMNAIRY-QMMMGPOBSA-N 340.442 3.990 50 40 EHGB Cc1ccc(-n2cccc2/C=N\NC(=O)Cc2ccc(F)cc2)c(C)c1 409232535 QSUKQYQDZIAVRS-UCQKPKSFSA-N 349.409 3.926 50 40 EHGB CCc1ccc(CC(=O)N/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1 409362175 GBTRHLIWTYIJMP-ODLFYWEKSA-N 345.786 3.503 50 40 EHGB COc1cccc(N/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 101192797 GKTLKVILFNVORR-WJDWOHSUSA-N 348.811 3.599 50 40 EHGB COc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)c2ccccc12 408964197 BUUTTYUCSYIRLB-FSJBWODESA-N 347.349 3.623 50 40 EHGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\C=C\c1ccccc1[N+](=O)[O-] 585145702 BAWPPOCLJNFCOX-VGTMEUMPSA-N 339.395 3.753 50 40 EHGB N#CC1=C(N)S[C@@H](C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 113951 IKHOBPSQGRQRRT-NVXWUHKLSA-N 342.370 3.741 50 40 EHGB C/C(=N\NC(=O)c1ccccc1C)c1ccc(Br)cc1 502724 SZVMIGSTXQCDDQ-LDADJPATSA-N 331.213 3.912 50 40 EHGB C[C@H](Cl)CN(C[C@@H](C)Cl)C(=O)Oc1ccc([N+](=O)[O-])cc1 1763336 XYXLCCMWUNABBI-AOOOYVTPSA-N 335.187 3.650 50 40 EHGB CC(/C=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)=C\c1ccco1 2110649 BPUNZVHMNBUMQO-NHTBDMMBSA-N 332.787 3.906 50 40 EHGB CC(C)[C@H](Br)C(=O)Nc1nnc(-c2ccccc2)s1 4070330 UEVDGPDPIWBDEX-JTQLQIEISA-N 340.246 3.563 50 40 EHGB CCc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1 4592488 WMBPINBFXJWNKR-KRWDZBQOSA-N 342.402 3.857 50 40 EHGB O=C(CCC1CCCC1)NNC(=O)CSc1ccc(Cl)cc1 7653432 RSVJGOIJMGRSRI-UHFFFAOYSA-N 340.876 3.550 50 40 EHGB CC(=O)Nc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc1 16441467 YTLDGKDIVNXSAU-XNTDXEJSSA-N 329.359 3.916 50 40 EHGB O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)c1ccncc1 33325775 XDZRTBYKKOUYNX-JAIQZWGSSA-N 325.755 3.759 50 40 EHGB COC(=O)c1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1 5379907 ODFWSEQNEUQAKL-FYJGNVAPSA-N 338.407 3.535 50 40 EHGB CCC[C@H](C(=O)NNC(=O)c1cccc(Cl)c1)c1ccccc1 6450391 OTSKTMYVBHLBKL-INIZCTEOSA-N 330.815 3.685 50 40 EHGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(C)n(C)c1C 408789788 LKHOGRMISHKZLC-CHHVJCJISA-N 329.407 3.651 50 40 EHGB Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccccc2OCC#N)c1 408809655 IMLSRBGFBRABLF-SFQUDFHCSA-N 331.375 3.752 50 40 EHGB N#C/C(=C/c1cccc(Cl)c1Cl)C(=O)NCc1ccccn1 6644646 NOKUDMOLZJYPHM-WQLSENKSSA-N 332.190 3.612 50 40 EHGB Cc1ccc(C(=O)N/N=C\C(Br)=C\c2ccccc2)cn1 30802430 VVVCOPUVHVLQME-CECPNPPCSA-N 344.212 3.542 50 40 EHGB C/C(=N\NC(=O)c1cccc(Br)c1)[C@H]1C[C@@H]2CC[C@@H]1C2 100063082 CXZXCGNXJUJTER-RBZMFOHASA-N 335.245 3.991 50 40 EHGB Cc1ccsc1/C=C(\C#N)C(=O)NCCc1c[nH]c2ccccc12 564226 WFRCZOIYFKOEBI-XNTDXEJSSA-N 335.432 3.804 50 40 EHGB CCC(/C=N/NC(=O)CCCCC(=O)N/N=C/C(CC)CC)CC 5415451 JHAVPCGBASSJQB-IWGRKNQJSA-N 338.496 3.623 50 40 EHGB COC(=O)[C@H](C#N)C1=C(C(SC)=C(C#N)C#N)[C@@H](C)CC(C)(C)C1 5529100 SNAXQATUHXPAEC-SMDDNHRTSA-N 343.452 3.716 50 40 EHGB C=CCN1C(=O)/C(=C(\C#N)c2nc3ccccc3[nH]2)c2ccccc21 16138357 VHHGRGHENVCONF-NBVRZTHBSA-N 326.359 3.530 50 40 EHGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NN=C/C=C/c1ccccc1 245241885 SOLVXYAPJUZBAG-GUSUOFLDSA-N 328.799 3.923 50 40 EHGB CC(C)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2)cc1 129975 RWQWNBSVVCPBMA-RGVLZGJSSA-N 330.815 3.993 50 40 EHGB COc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1 222057 FWHAWUBULCAOKP-VXLYETTFSA-N 348.855 3.732 50 40 EHGB O=C(N/N=C/c1c[nH]c2c1ccc1ccccc12)c1ccccc1O 258277 CAZTWBZNNUHJPX-WSDLNYQXSA-N 329.359 3.791 50 40 EHGB CCOC(=O)N/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 3254513 XCHJRINPVOEIMV-XSFVSMFZSA-N 325.412 3.793 50 40 EHGB N#C/C(=C\c1ccccc1O)C(=O)Nc1cccc(Br)c1 4705379 DTLLWKDNCJBBGE-XYOKQWHBSA-N 343.180 3.700 50 40 EHGB CC(=C/c1ccco1)/C=N/NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1 16789633 ZNFMNUVNPANZGA-OOAUROHBSA-N 334.379 3.797 50 40 EHGB COc1cccc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c1 19824590 JVODYNTZDIVVEJ-OVCLIPMQSA-N 328.375 3.704 50 40 EHGB COc1cccc(/C=N/NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c1 67919 QBVRRSXUBBQXFZ-PIOYSLCCSA-N 341.238 3.737 50 40 EHGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 5771427 OCQOZPSTPYRLLV-FMIVXFBMSA-N 327.727 3.794 50 40 EHGB N#CC1=C(N)OC(/C=C\c2ccccc2)=C(C#N)[C@H]1c1ccccc1 17175917 FQTXMNYLIJKFRA-ZCPJJFRWSA-N 325.371 3.985 50 40 EHGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccsc1 38589618 YJYVXIHXSPZUBR-NDENLUEZSA-N 336.416 3.944 50 40 EHGB CC1(C)CC(=O)C2=C(C1)NC(S)=C(C#N)[C@@H]2c1ccc(F)cc1 137295774 MXVUQOFDWUFBKG-HNNXBMFYSA-N 328.412 3.821 50 40 EHGB O=C(N/N=C/c1ccc(F)s1)c1cc(-c2ccc(Cl)cc2)[nH]n1 252497167 QAGRMZBIOVCPHQ-QGMBQPNBSA-N 348.790 3.695 50 40 EHGB O=C(c1ccc(Cl)s1)[C@@H](Br)CBr 307426894 GEJAUDUYAPVGPU-BYPYZUCNSA-N 332.444 3.743 50 40 EHGB Cc1ccccc1-n1nc(C(=O)NN)cc1-c1cccc2ccccc12 408724193 HLQRJNLKUXXUCN-UHFFFAOYSA-N 342.402 3.604 50 40 EHGB O=C(NNC(=O)C1[C@H]2CCCC[C@H]12)c1ccc(-c2ccccc2)cc1 3140016 PXJBRJQCKAPPJL-ROUUACIJSA-N 334.419 3.551 50 40 EHGB CCOC(=O)/C(C#N)=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 4860474 JAJDBBSBXYYDEV-YFHOEESVSA-N 346.726 3.978 50 40 EHGB CC(C)(C)C1CCC(=NNC(=O)[C@@H]2COc3ccccc3O2)CC1 5164211 MIPLFEBEXIEHKK-RUINGEJQSA-N 330.428 3.535 50 40 EHGB Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 5490742 PAPSIBGMVXJASP-QGZVFWFLSA-N 342.402 3.912 50 40 EHGB CCCC[C@@H](/C=N\NC(=O)C(=O)N/N=C/[C@H](CC)CCCC)CC 17314684 WSYPLYFUPPXGPJ-YCAHZAJWSA-N 338.496 3.623 50 40 EHGB Cc1ccccc1C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 587848 NCPJLAIAXCMPGC-UHFFFAOYSA-N 330.387 3.737 50 40 EHGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(F)cc2)cc1 3036219 MFOQIFMLSDGSRL-CIAFOILYSA-N 328.387 3.652 50 40 EHGB CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 4772730 DFEMRLBRHDQBLP-OAHLLOKOSA-N 328.799 3.791 50 40 EHGB Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc3ccccc3c2)c1 6825693 DMILNACRGAMKET-LPYMAVHISA-N 332.403 3.986 50 40 EHGB C/C(=N/NC(=O)c1cc(-c2ccc(C)o2)n[nH]1)c1ccc(Cl)cc1 13369826 VOOLEVVTPBEHGJ-ODLFYWEKSA-N 342.786 3.786 50 40 EHGB CCOC(=O)/C(C#N)=C(\CC(=C(C#N)C#N)c1ccccc1)SC 100947094 OMSSYPDADFXAFL-WUKNDPDISA-N 337.404 3.581 50 40 EHGB C/C(CC(=O)NC1CCCC1)=N\NC(=O)c1ccc(C(C)(C)C)cc1 106713869 UNNOTNQNKPTMFB-HYARGMPZSA-N 343.471 3.539 50 40 EHGB CC1CCN(c2ccc(/C=C(\C#N)C(=O)NC3CCCCC3)o2)CC1 409275970 NLEBXKHHJOFVRX-DTQAZKPQSA-N 341.455 3.872 50 40 EHGB Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2ccc(Cl)cc12 7985884 KFKWUZDGZWQKCJ-UHFFFAOYSA-N 346.745 3.609 50 40 EHGB CC(C)c1ccc(/C=N\NC(=O)COc2ccc(Cl)cc2)cc1 31829243 PHBGBHRSASOARC-JAIQZWGSSA-N 330.815 3.993 50 40 EHGB N#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 195380106 FRLMDNVIEOEZKH-KAMYIIQDSA-N 337.766 3.788 50 40 EHGB COc1ccc(C(=O)NNc2nc3ccc(Cl)cc3s2)cc1 4121414 CFKGMORORINVLZ-UHFFFAOYSA-N 333.800 3.715 50 40 EHGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2c(C)[nH]c3ccccc23)cc1 357453 IUBMFEIWTINICY-CIAFOILYSA-N 348.406 3.589 50 40 EHGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(Cl)s1 370087 OYEZDTWFNFFTLW-CXUHLZMHSA-N 337.788 3.772 50 40 EHGB COc1ccc(C(=O)N/N=C/c2c(Cl)[nH]c3ccccc23)cc1 506803 DXKONYCXKKKFHY-VXLYETTFSA-N 327.771 3.594 50 40 EHGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccccc3C#N)o2)cc1 512142 LTEDOLFPRQVOJX-OEAKJJBVSA-N 343.386 3.820 50 40 EHGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(N)=O 3254333 WRIGHKHGEXIGSV-NTUHNPAUSA-N 347.201 3.965 50 40 EHGB CCO[C@@]1(c2ccccc2)C[C@@H]1C(=O)N/N=C/[C@@H](C)c1ccccc1 4844422 UIBFZWQDCJLLTE-SLMWBFOOSA-N 336.435 3.844 50 40 EHGB C/C(=N/NC(=O)CSc1nc2ccccc2s1)c1ccco1 4898611 QQTALBIAEVXTTG-YVLHZVERSA-N 331.422 3.522 50 40 EHGB CCCCOc1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1 6264466 DFVLZCVIPJPSDX-UHFFFAOYSA-N 346.814 3.594 50 40 EHGB COc1ccccc1/C=N/NC(=O)c1cc(C)n(-c2ccccc2)c1C 7244643 XAZDFKKJVNZIGA-HYARGMPZSA-N 347.418 3.867 50 40 EHGB O=C(N/N=C1/CCCc2ccccc21)c1ccccc1-n1cccc1 103380054 YDSPDBGMBHKYHB-QOCHGBHMSA-N 329.403 3.948 50 40 EHGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(Br)o1 408805741 LDTJAVVHVXUEEM-JPZMSJPLSA-N 337.217 3.644 50 40 EHGB CCOC(=O)N[C@H](C(C)C)P(=O)(c1ccccc1)c1ccccc1 3164887 ZMMLROKQSBXLRQ-SFHVURJKSA-N 345.379 3.729 50 40 EHGB COC[C@@H](C)Oc1ccc2nc(NC(=O)CCCCl)sc2c1 20133638 FBMWJLNGNKXEIA-SNVBAGLBSA-N 342.848 3.668 50 40 EHGB CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1O 512488 LNBCLKRKWGLAIG-FYJGNVAPSA-N 340.423 3.852 50 40 EHGB C/C(=N\NC(=O)c1cccc(O)c1)c1ccc2c3c(cccc13)CC2 17650091 WTCSCHGWVFFTGY-LPYMAVHISA-N 330.387 3.798 50 40 EHGB C[C@H]1CCC2=C(C1)NC(SCC(N)=O)=C(C#N)C21CCCCC1 95117513 LFPDQSKMVGSHAN-LBPRGKRZSA-N 331.485 3.568 50 40 EHGB CCC(=O)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104207009 REIOBUGTSZRADY-UHFFFAOYSA-N 334.399 3.692 50 40 EHGB C#CCOc1cccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1 408599460 HMQRUPSMEJHKFB-PXLXIMEGSA-N 334.419 3.760 50 40 EHGB COc1ccc(/C=N/NC(=O)/C=C/c2ccc(Cl)cc2)cc1OC 409053418 JZCRRGJITSVBCG-UPINRHINSA-N 344.798 3.521 50 40 EHGB COc1ccc(CNC(=O)/C(C#N)=C\c2c(C)[nH]c3ccccc23)cc1 331746 LWGXZIGCEQEIOB-WJDWOHSUSA-N 345.402 3.708 50 40 EHGB CCc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1 13425343 FUXUKELUSJYQOA-UYRXBGFRSA-N 343.430 3.996 50 40 EHGB COc1ccc(CSCC(=O)N/N=C/c2cccc(Cl)c2)cc1 59473006 DXRBVFPCVZNJFY-VXLYETTFSA-N 348.855 3.732 50 40 EHGB CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccccc1C 408798455 FINSGAOVXLQTLB-LFIBNONCSA-N 336.391 3.948 50 40 EHGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccccc2OC)cc1 1319650 XISZCKJHQRUGNK-NWGMWSOJSA-N 340.423 3.738 50 40 EHGB O=C(CCl)Oc1c(C2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1586636 CAJQHIVUTJDEKG-UHFFFAOYSA-N 342.735 3.695 50 40 EHGB N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@@H]1c1ccccc1 4923224 SAQIKFAPKCJYLV-QGZVFWFLSA-N 347.443 3.906 50 40 EHGB CO[C@H](C(=O)N/N=C/c1ccccc1C(F)(F)F)c1ccccc1 5356294 IVSUDRFBGHKJIJ-FPQGOQEYSA-N 336.313 3.543 50 40 EHGB CC(C)(C)c1ccc(C(=O)NNC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 6931299 NUCQJBBTGVZAIE-IMJJTQAJSA-N 328.456 3.571 50 40 EHGB O=C(N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1 27024510 CLOCBMJTOFFBBL-UNOMPAQXSA-N 335.319 3.619 50 40 EHGB Cc1ccc([C@H](NC(=O)Nc2ncccn2)C(Cl)Cl)cc1F 3205618 WUEKISLCHNFFSK-NSHDSACASA-N 343.189 3.591 50 40 EHGB C/C(=N\NC(=O)CSc1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 8515481 NPACLZJPEDIUCD-QGOAFFKASA-N 343.408 3.536 50 40 EHGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cccc(O)c1 408805615 HHEXXSDHAPIALE-KPKJPENVSA-N 328.755 3.600 50 40 EHGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(Cl)c(Cl)c1 3102634 RSWAYAXLVHVCLV-DJKKODMXSA-N 337.206 3.831 50 40 EHGB C/C(=N\NC(=O)c1cc2c(s1)CC[C@H](C)C2)c1ccc(O)cc1 5167491 LCJKDJZMVKBXET-QMDUKARKSA-N 328.437 3.733 50 40 EHGB CC(C)NC(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1F 6827634 IFRBCCOIXJJJSG-BOPFTXTBSA-N 338.382 3.836 50 40 EHGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCC)cc2)cc1 20197273 BZMXOGSVAQMWRT-XSFVSMFZSA-N 326.396 3.638 50 40 EHGB Cc1cc(C)c([C@H]2[C@@H]3CCC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)c1 20470038 QWKHHQOBOXPDAH-VQIMIIECSA-N 328.419 3.815 50 40 EHGB CC(=O)N/N=C/c1ccc(OCCCOc2ccccc2Cl)cc1 27836275 YIWFNKWQFNFPBJ-DEDYPNTBSA-N 346.814 3.658 50 40 EHGB CCCCCCCCNC(=O)/C(C#N)=C\c1ccc(O)c(OC)c1 105407851 UOTHXJNGCCDRKW-VBKFSLOCSA-N 330.428 3.784 50 40 EHGB CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1 203557 RPGIJWRBFCLGMG-LJQANCHMSA-N 334.375 3.757 50 40 EHGB C/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1 5288634 ZUNJDRHFEIGJQI-KGENOOAVSA-N 347.374 3.831 50 40 EHGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 5750206 GRBJUZVGYCJEAX-CAOOACKPSA-N 338.150 3.666 50 40 EHGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1OC 6959791 BVGAEUQFUYEHKN-LFIBNONCSA-N 336.391 3.812 50 40 EHGB CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 21316115 KEXCLQDQKXPDKT-SFQUDFHCSA-N 342.402 3.501 50 40 EHGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408805448 KBTQVFAHWAERFJ-HLVNSREUSA-N 339.351 3.676 50 40 EHGB CCCCN(CCCC)NC(=O)c1ccc(Br)cc1 604941644 OVTVPKGYZVCIJJ-UHFFFAOYSA-N 327.266 3.996 50 40 EHGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1[N+](=O)[O-] 252787 GIEGUOQJFZSAMC-CAOOACKPSA-N 338.150 3.666 50 40 EHGB Cc1cccc(C)c1OCC(=O)N/N=C/c1c(F)cccc1Cl 530304 NFPFVPXGFURAOU-AWQFTUOYSA-N 334.778 3.625 50 40 EHGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cccc2ccccc12)OCO3 798121 GZMZYGWDTMAUNL-HXUWFJFHSA-N 342.354 3.787 50 40 EHGB N#CC(C#N)=C1C=C(c2ccc3c(c2)OCCO3)Oc2ccccc21 1805963 XUBLOIHRHPXXFK-UHFFFAOYSA-N 328.327 3.692 50 40 EHGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1 408875712 KDWQCXJPGNMGEB-NBVRZTHBSA-N 330.387 3.807 50 40 EHGB COc1ccc2ccc(OC)c(/C=N\NC(=O)c3cccc(C)c3)c2c1 409005645 FZUAVOWEWSACMD-XKZIYDEJSA-N 348.402 3.929 50 40 EHGB CCc1ccc(OCCCOc2ccccc2/C=N/NC(C)=O)cc1 4550124 LHPAVDDOAQQVOH-RCCKNPSSSA-N 340.423 3.567 50 40 EHGB C=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)CNc2ccccc2OC)C1 12403971 LCNFAOVEZAENHQ-MUNYZGMTSA-N 327.428 3.512 50 40 EHGB COc1ccc(C(=O)NNC2c3ccccc3-c3ccccc32)cc1 15475506 QVEYTLXJXGQWDG-UHFFFAOYSA-N 330.387 3.700 50 40 EHGB CN(C)Cc1ccc(C(=O)NN=C2c3ccccc3-c3ccccc32)o1 46802854 PKKFRFWIUJNBBE-UHFFFAOYSA-N 345.402 3.504 50 40 EHGB CCOc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1 5097571 ZVJNIAARGCOTEV-WOJGMQOQSA-N 347.212 3.612 50 40 EHGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc3ccccc23)cc1C 5546985 ADNIPYVWLTYQCE-LPYMAVHISA-N 345.402 3.545 50 40 EHGB O=C(N/N=C(\c1ccccc1)c1cccnc1)[C@@H]1C[C@H]1c1ccccc1 5947705 QJWSRPGCTHQLEV-ZRQCSBHTSA-N 341.414 3.754 50 40 EHGB O=C1OC(=O)c2ccccc2/C1=C\Nc1cccc(C(F)(F)F)c1 103271448 SOLJRSHSWXKEOM-NTEUORMPSA-N 333.265 3.855 50 40 EHGB COc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(OC)c1OC 107636707 QBUJWZGKCJKYGR-ZROIWOOFSA-N 340.335 3.685 50 40 EHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(F)c2)cc1 213128172 WCHRGVYHWVBRBY-GDNBJRDFSA-N 338.338 3.548 50 40 EHGB O=C(NNc1cccc(Cl)n1)Nc1cccc(C(F)(F)F)c1 480146 JXEUAKHEVBEMEH-UHFFFAOYSA-N 330.697 3.902 50 40 EHGB COc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(C)cc1 511980 XEBMLKUYRTXIJN-HYARGMPZSA-N 332.403 3.850 50 40 EHGB CN(C)C(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 1106103 YPVJSNRSFQNQCF-JXMROGBWSA-N 345.742 3.503 50 40 EHGB COc1ccc(C2=C/C(=C3/C(=O)C=C(C)OC3=O)SS2)cc1 2026218 ZIHOMAITHOBYNI-CCEZHUSRSA-N 332.402 3.715 50 40 EHGB C/C(=N/NC(=O)c1ccccc1O)C1=CNc2ccccc2S1 17197072 KADSVTXTDGMAEY-ODLFYWEKSA-N 325.393 3.557 50 40 EHGB CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1O 59167570 XZRGJUBJSUZFPL-VXLYETTFSA-N 332.787 3.517 50 40 EHGB CCCC[C@H](C(=O)NN)N1c2cc(C)c(C)cc2C(C)=CC1(C)C 223228818 IJBMQRZRCKTDPH-QGZVFWFLSA-N 329.488 3.854 50 40 EHGB CCn1c(C)cc(/C=N\NC(=O)c2cccc(-n3cccc3)c2)c1C 409103385 BGLXMZUXYLXQCC-STZFKDTASA-N 334.423 3.679 50 40 EHGB O=C(N/N=C/c1ccccc1)[C@@H](Oc1ccccc1)c1ccccc1 1699203 MHHWUHZTOXRQSE-OFXNXBLFSA-N 330.387 3.957 50 40 EHGB O=C(COc1cc(Cl)ccc1Cl)N/N=C/C=C/c1ccco1 5580574 VWSPFHCLNLWRPQ-BJEOCPPSSA-N 339.178 3.781 50 40 EHGB COc1ccc(NC2=N[C@H]3CCC[C@H](Br)[C@@H]3S2)cc1 5611654 OOJRPMYTTWBFHT-AVGNSLFASA-N 341.274 3.895 50 40 EHGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OC 6537686 SMWKZJQUEJCXSP-DYNVFCCOSA-N 342.439 3.696 50 40 EHGB CCOc1cccc2cc(/C(C)=N/NC(=O)c3ccoc3C)oc12 8229041 YSHJXCWVFUCWSO-YBFXNURJSA-N 326.352 3.887 50 40 EHGB CCc1ccc(N/C=C(\C#N)S(=O)(=O)c2ccccc2F)cc1 67340819 CEYHKIJZBCLNEB-NTCAYCPXSA-N 330.384 3.639 50 40 EHGB CC(=O)O[C@H]1C[C@](F)(C(F)(F)F)[C@@](F)(C(F)(F)F)C[C@@H]1Cl 227002675 NSDMPHHLQXQISE-RULNZFCNSA-N 348.617 3.861 50 40 EHGB CN(C)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 8032844 VIAJTURMALXOGD-UHFFFAOYSA-N 325.799 3.762 50 40 EHGB C/C(=N\NC(=O)OC(C)(C)C)c1c(C)nn(-c2ccccc2)c1C 98052633 ARUOZRPQQRJAFF-XDHOZWIPSA-N 328.416 3.738 50 40 EHGB Cc1ccc(CC(=O)N/N=C\c2ccc(Br)cc2)c(C)c1 216045468 CBYASMNYYVXXDO-ODLFYWEKSA-N 345.240 3.759 50 40 EHGB COCCCCC(=O)N1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1 585125121 HNOSVICPHSQSLR-HNNXBMFYSA-N 329.557 3.816 50 40 EHGB COc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)c(OC)c1 221072 KRVGJGYIIZGUTB-HYARGMPZSA-N 348.402 3.550 50 40 EHGB O=C(N/N=C/c1nc(-c2ccccc2)oc1Cl)c1ccccc1 3148480 GDFZNDJJPVLIHM-YBFXNURJSA-N 325.755 3.759 50 40 EHGB N#C/C(C(=O)CSc1ccccn1)=C1\Nc2ccccc2S1 100558054 LLXOETZVESAOKZ-WJDWOHSUSA-N 325.418 3.696 50 40 EHGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(N)=S)o1 33412883 JPIMTQFPFAXQBX-LCYFTJDESA-N 334.404 3.634 50 40 EHGB CN(c1ccccc1)c1ccc(/C=N/NC(=O)c2cccnc2)cc1 1028048 RLFSWVWCHRJDFF-HYARGMPZSA-N 330.391 3.613 50 40 EHGB CC/C(=N\NC(=O)c1ccc2c(c1)nc(C)n2CC)c1ccccc1 5071347 JSRPMHCVSACHNR-OQKWZONESA-N 334.423 3.909 50 40 EHGB C/C(=N\NC(=O)c1ccc(Br)o1)c1ccccc1Cl 5381906 RQTCZUAFBDNTHI-LZYBPNLTSA-N 341.592 3.850 50 40 EHGB N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(N)=O 5860568 AUIUMADSTNEOMU-AWNIVKPZSA-N 347.201 3.965 50 40 EHGB Cc1ccc2nc(O)c(/C=N/NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2c1 9346156 VBIGQCUXTVONPO-FYNNQVSNSA-N 345.402 3.503 50 40 EHGB CCCN(CCC)c1ccc(/C=C(\C#N)c2n[nH]c(N)c2C#N)cc1 17027640 PDFXPYLOLIWQQO-RVDMUPIBSA-N 334.427 3.554 50 40 EHGB CCOc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCC(=O)O 107645734 XJXPFJOADPAIBZ-ZROIWOOFSA-N 341.338 3.752 50 40 EHGB CC[C@H](C)Oc1ccccc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 408604229 UMSCRJVEDQJAFW-HCZVKUGISA-N 341.367 3.536 50 40 EHGB N#CCC[C@H]1CCCC/C1=N\NC(=O)CSCc1ccccc1 408719453 PKKGXLUBCZOQSZ-HNOLQLOCSA-N 329.469 3.886 50 40 EHGB COc1cc(C)ccc1C(=O)N/N=C/c1cccc(Br)c1 408748881 IQROMLHEUJFIBM-VCHYOVAHSA-N 347.212 3.530 50 40 EHGB Cc1ccc(SCC(=O)/C(C#N)=C2\Nc3ccccc3N2C)cc1 8972239 VCYVZIOHHVCTKU-XDJHFCHBSA-N 335.432 3.953 50 40 EHGB COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1C 11295606 DYARFWDUQHPQIA-GZTJUZNOSA-N 327.405 3.650 50 40 EHGB Cc1cc(C)nc(NNC(=O)c2cc3c(s2)CCCCCC3)n1 13005279 OPWYPQFFCYQFFA-UHFFFAOYSA-N 330.457 3.571 50 40 EHGB C/C(=N/NC(=O)CC(C)C)c1ccc(NC(=O)c2cccs2)cc1 5384078 XWOJEVDPJBZGKU-MOSHPQCFSA-N 343.452 3.887 50 40 EHGB O=C(N/N=C/c1ccc(Br)cc1)[C@@H]1C[C@H]1c1ccccc1 4578196 QJJWMBOQPFQCPQ-PZRWJEIXSA-N 343.224 3.703 50 40 EHGB CCn1c(C)c(/C=N/NC(=O)c2ccc(OC)cc2)c2ccccc21 409261049 ALODGUBLIMKCNL-FYJGNVAPSA-N 335.407 3.742 50 40 EHGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(C)c(Br)c2)n1 409375116 FVGZITWYHJBSBM-VGOFMYFVSA-N 344.212 3.818 50 40 EHGB O=C(CCl)N(Cc1cccnc1)c1cccc2ccc(O)cc12 199754926 JCVYKSQPHJGCGQ-UHFFFAOYSA-N 326.783 3.712 50 40 EHGB N#C/C(=C\c1ccc(N2CCCCC2)cc1)C(=O)Nc1nccs1 3570700 VGJSWTFQODKKGJ-NTCAYCPXSA-N 338.436 3.679 50 40 EHGB COCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1 16440570 JDCAYFJOOWZHHX-SDNWHVSQSA-N 344.798 3.660 50 40 EHGB O=C(COc1ccccc1-c1ccccc1)N/N=C/c1cccs1 511315 ZJDJBUNPENSGOS-DEDYPNTBSA-N 336.416 3.944 50 40 EHGB O=C/C(=C\Nc1ccc(Cl)c(C(=O)O)c1)c1nc2ccccc2o1 3021277 PDKBVRSCMBDLFJ-CSKARUKUSA-N 342.738 3.831 50 40 EHGB Cc1ccc(SCCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 3314907 ZEDCRYOBESYYTE-XSFVSMFZSA-N 341.480 3.694 50 40 EHGB O=C(CCCC[C@@H]1CCSS1)Nc1cccc(-c2nnn[nH]2)c1 73578393 JZXXCHIKHIGZSF-CYBMUJFWSA-N 349.485 3.519 50 40 EHGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OC)cc3)cc2c1 409186514 DCUPMJPSOBJENT-NDENLUEZSA-N 338.363 3.604 50 40 EHGB O=C(N/N=C(\c1ccccc1)c1cccnc1)[C@H]1C[C@@H]1c1ccccc1 2746648 QJWSRPGCTHQLEV-INFINQIGSA-N 341.414 3.754 50 40 EHGB CCCOc1ccc(C(=O)N/N=C/c2cccc(OCC)c2)cc1 20197744 DRTOYXFBVVRARY-XSFVSMFZSA-N 326.396 3.638 50 40 EHGB CNC(=O)c1cccc(NC(=O)CCCC[C@@H]2CCSS2)c1 25442622 OEVFTTJRWZEJDS-CQSZACIVSA-N 338.498 3.699 50 40 EHGB CCCC(CCC)=NNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 59434227 XIBZPMHOUUTDQH-UHFFFAOYSA-N 343.349 3.716 50 40 EHGB Cc1cc2nc(/C(C#N)=C/c3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1C 76538510 OJTYOWZERYPKMW-NTUHNPAUSA-N 334.335 3.858 50 40 EHGB O=C(N/N=C/c1ccccc1C(F)(F)F)[C@H]1C[C@@H]1c1ccccc1 5684895 ZLDCONNKMLEYNF-LSICZSIJSA-N 332.325 3.959 50 40 EHGB COc1ccc(/C=N\NC(=O)C23[C@H]4CCC[C@H]2C43c2ccccc2)cc1 101027948 KPWKKTIPZJAQLH-WWYQFLGJSA-N 346.430 3.513 50 40 EHGB Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 195752248 IETCDDKBOYNMGD-NDENLUEZSA-N 349.346 3.927 50 40 EHGB CCCOc1ccc(NC(C#N)=C2C(=O)c3ccccc3C2=O)cc1 1780734 UOYZSURJLSHPAP-UHFFFAOYSA-N 332.359 3.744 50 40 EHGB CCc1ccccc1N1C(S)=C(C#N)C(=O)NC12CCCCC2 19810078 YWQYKAAALFCJTB-UHFFFAOYSA-N 327.453 3.511 50 40 EHGB CCOC(=O)N/N=C\c1ccc(OCc2ccccc2)c(OCC)c1 38196140 VJZHWOGENFIKLK-MOSHPQCFSA-N 342.395 3.744 50 40 EHGB CC(C)[C@H](C(=O)N/N=C/c1ccccn1)c1ccc(OC(F)F)cc1 97251 KDXXDKGYBJFYOS-RSFOSLOZSA-N 347.365 3.573 50 40 EHGB O=C(N/N=C/c1cc(Cl)ccc1O)c1cccc(C(F)(F)F)c1 510140 NVMKOOHWGBNJJK-DNTJNYDQSA-N 342.704 3.828 50 40 EHGB CCCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 5431606 ACBLUFFSSGXSMP-UDWIEESQSA-N 346.814 3.658 50 40 EHGB Cc1ccc2occ(/C=C/C3=C(C#N)C(=O)OCC3(C)C)c(=O)c2c1 5547770 UFRHPJOOUYQRAZ-AATRIKPKSA-N 335.359 3.518 50 40 EHGB C/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(C)cc1 6286661 UBZVGTASPXJJCG-YDZHTSKRSA-N 349.356 3.966 50 40 EHGB O=C(N/N=C\c1ccc(O)cc1)C(c1ccccc1)c1ccccc1 30885274 HXGNDRDUCZGREU-JCMHNJIXSA-N 330.387 3.674 50 40 EHGB COc1ccc2ccccc2c1/C=N/NC(=O)[C@H](C#N)c1ccccc1 409206807 QAKLRLFAZBSGBR-UEIZDATPSA-N 343.386 3.606 50 40 EHGB O=C(N/N=C/C1=C(c2ccccc2)[C@@H]2C=C[C@@H]1C2)c1ccccc1O 100728932 ZHJSRWVYYUMRRG-NZZJIVAASA-N 330.387 3.768 50 40 EHGB ClC[C@@H]1CN(c2ccccc2)[C@@]2(O1)SCCN2c1ccccc1 336389 ONQZXIGOGHWSKK-MSOLQXFVSA-N 346.883 3.995 50 40 EHGB C/C(=N\NC(=O)COc1ccc(C(C)C)c(C)c1)c1ccc(N)cc1 5587645 IGPPPVFJMQIZMI-PXLXIMEGSA-N 339.439 3.620 50 40 EHGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccncc1 6431629 NQXJDASHBXSYTJ-HYARGMPZSA-N 333.391 3.788 50 40 EHGB O=C(Cc1ccc2ccccc2c1)N/N=C/C1=Cc2ccccc2OC1 70037654 ZAGIPGYIJBLLAC-OEAKJJBVSA-N 342.398 3.960 50 40 EHGB COc1ccccc1/C=C1/C(=O)OC(=O)/C1=C/c1ccccc1Cl 104259562 IEJCFPVKJKXDLI-WFYKWJGLSA-N 340.762 3.899 50 40 EHGB Nc1ccccc1C(=O)N/N=C\c1ccc(OCc2ccccc2)cc1 169893830 NQFSOMVBKGAQDB-UCQKPKSFSA-N 345.402 3.612 50 40 EHGB COc1ccc(/C=C/C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 409061322 CXNISBHFTGEBJQ-OJPKGUMCSA-N 346.386 3.718 50 40 EHGB CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1 8845692 ICSLJPXWANGVFA-KRWDZBQOSA-N 338.411 3.505 50 40 EHGB O=C(N/N=C\c1ccc(N2CCCCC2)o1)c1cc2ccccc2o1 408854063 WTUIWFRSLIOJQN-MOSHPQCFSA-N 337.379 3.780 50 40 EHGB O=C(N[C@H]1CC[C@H](CBr)CC1)OCc1ccccc1 575442247 OCYFOOZLBOBIQD-MQMHXKEQSA-N 326.234 3.867 50 40 EHGB Cc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-] 7157243 OOVHQSIMCZRYFR-NGWPFTMJSA-N 335.363 3.688 50 40 EHGB COc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1 54216129 CQGGFBOMSOCEIN-RVDMUPIBSA-N 344.374 3.631 50 40 EHGB Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc3c(c2)OCCO3)c1 33776030 MIGNEHDVCLSFGY-YBEGLDIGSA-N 334.375 3.620 50 40 EHGB COc1cc(NC(=O)[C@H](Cl)c2ccccc2)cc(OC)c1OC 4548685 COKXYUHAGYJGHV-OAHLLOKOSA-N 335.787 3.631 50 40 EHGB O=C(Cl)c1cc(Cl)c(I)c(Cl)c1 45919847 NKCRAWZGEZKWTE-UHFFFAOYSA-N 335.355 3.977 50 40 EHGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(O)c1 408879626 HGBMWYRUPAPJPW-NTUHNPAUSA-N 342.782 3.908 50 40 EHGB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc(F)c1)C(C#N)=C(N)O2 353601 LFUAHTSBDWDTGI-GOSISDBHSA-N 346.365 3.538 50 40 EHGB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N/N=C/c1ccc(F)cc1 1449720 KBKMPACEUJAAPG-HMASQMOLSA-N 334.778 3.705 50 40 EHGB N#CC1=C(N)OC(/C=C/c2ccccc2)=C(C#N)[C@@H]1c1ccccc1 1612260 FQTXMNYLIJKFRA-SGWGQVFISA-N 325.371 3.985 50 40 EHGB CC1=C(/C=C\C(C)=N/NC(=O)c2ccc[n+](C)c2)C(C)(C)CCC1 5208256 OTNFPJUOQLERLJ-RVXUFTCQSA-O 326.464 3.700 50 40 EHGB CCOC(=O)/C(C#N)=C\c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 5716435 RYFFRRIWJAENIE-LCYFTJDESA-N 340.335 3.942 50 40 EHGB COc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(C#N)cc2)o1 409017910 JIEFKGZLFJJGDB-LPYMAVHISA-N 345.358 3.591 50 40 EHGB COc1cccc(/C=N/NC(=O)c2cccc3ccccc23)c1OC 369977 HOBRIIGSRXYULO-FYJGNVAPSA-N 334.375 3.621 50 40 EHGB COc1ccccc1OCC(=O)N/N=C(\C)c1ccc2ccccc2c1 5164339 YKBMXRQCTXDKEZ-PXLXIMEGSA-N 348.402 3.768 50 40 EHGB COc1cc([N+](=O)[O-])ccc1N/C=C(/C#N)c1nc2ccccc2o1 5335105 WCRLWHZBZFVDOK-KHPPLWFESA-N 336.307 3.721 50 40 EHGB Cc1ccc(C)c(NC(=O)C(=O)NN=C2CCC(C(C)(C)C)CC2)c1 59435590 WFFISHVWHYMLRL-UHFFFAOYSA-N 343.471 3.950 50 40 EHGB O=C(CCCc1ccccc1)N/N=C/c1ccccc1Br 50056 ILZXUFKVZYOHGO-CPNJWEJPSA-N 345.240 3.922 50 40 EHGB CCN(CC)c1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1 307977 ZDDNSBFAXACMLW-KGENOOAVSA-N 343.858 3.879 50 40 EHGB O=C(NN(c1ccccc1)c1ccccc1)[C@@H]1COc2ccccc2O1 6277277 XPBYKMTWTOEVST-FQEVSTJZSA-N 346.386 3.696 50 40 EHGB C[C@H](Cl)C(=O)Nc1nc2c(Br)cc(F)cc2s1 20131980 SDGNAWGQHDRSOK-BYPYZUCNSA-N 337.601 3.764 50 40 EHGB COc1ccc(C(=O)NN)cc1COc1ccc(-c2ccccc2)cc1 224212738 HIGYTGPWPVMJDT-UHFFFAOYSA-N 348.402 3.545 50 40 EHGB COC(=O)/C(C#N)=C\c1ccc(-c2cc(Cl)c(C)cc2[N+](=O)[O-])o1 252489539 JSYAIKUMFCAHLJ-POHAHGRESA-N 346.726 3.897 50 40 EHGB C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc1 408719161 IGSSMKQROKJXEI-NPQOUYBPSA-N 340.448 3.882 50 40 EHGB CC(=O)Oc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1 408761927 HXIJXPBXXZOJJT-FYJGNVAPSA-N 332.359 3.529 50 40 EHGB Cc1c(/C=N/NC(=O)Cc2ccc(Cl)cc2)c2ccccc2n1C 561465 GCJXDEJSPDNILN-CIAFOILYSA-N 339.826 3.833 50 40 EHGB CCCCCCC(=O)Nc1ccc(C(=O)N/N=C/c2ccco2)cc1 2176502 WGTSNQGBBJFWSC-XSFVSMFZSA-N 341.411 3.952 50 40 EHGB C[C@H](Cl)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1 4079028 YLQSLPWYHBORCZ-LURJTMIESA-N 346.637 3.533 50 40 EHGB C/C(=N/NC(=O)[C@@H]1COc2cc3ccccc3cc2O1)c1ccccc1 4724272 AMZJSVLIDSDDPF-ALFKQNEGSA-N 346.386 3.520 50 40 EHGB Cc1sccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 5818114 LFSCVZLOPHQBIR-AWEZNQCLSA-N 334.404 3.665 50 40 EHGB CCOc1cc(/C=N/NC(=O)c2cccc(C)c2)cc(Cl)c1O 6958822 NFBKHSSMRKBZIV-VXLYETTFSA-N 332.787 3.517 50 40 EHGB CCSc1ccccc1C(=O)NNC(=O)c1cc(C)c(CC)s1 12947357 WVKTUOHPOHDUMI-UHFFFAOYSA-N 348.493 3.806 50 40 EHGB COc1ccccc1/C=N/NC(=O)[C@H](C)Sc1ccc(C)cc1 409112616 FFZRVYSKGLPYRX-BXUJETTOSA-N 328.437 3.635 50 40 EHGB CC12CC3(C)CC([C@H](Cl)C(=O)O)(C1)CC([C@H](Cl)C(=O)O)(C2)C3 5412121 USTSJYGYDXSYRI-GTTFMTNRSA-N 349.254 3.737 50 40 EHGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 211327096 BEAHOCAJBBMCDD-NTCAYCPXSA-N 336.778 3.898 50 40 EHGB Cc1cccc(Cl)c1C(=O)[C@H](Br)CBr 306823562 QKZSSFSOYVPNFH-SSDOTTSWSA-N 340.442 3.990 50 40 EHGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(C)c2O)cc1 1319658 YRVMHXVATCQLEZ-STCDJXRXSA-N 340.423 3.743 50 40 EHGB COc1cccc(NC(=O)/C(C#N)=C/C=C/c2ccc(N(C)C)cc2)c1 2795257 GEQQBYFXLPPQOT-BHAVQNJHSA-N 347.418 3.863 50 40 EHGB CCOc1ccc2nc(NC(=O)[C@@H](Br)CC)sc2c1 20132392 LLMHIAOOZGAMKT-VIFPVBQESA-N 343.246 3.807 50 40 EHGB Cc1cccc(C(O)(C(=O)NNc2ccccc2)c2cccc(C)c2)c1 333929 OYSYXQRVPABFDK-UHFFFAOYSA-N 346.430 3.683 50 40 EHGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cccs1 565788 FSCJYERYSWJNTG-DEDYPNTBSA-N 336.416 3.944 50 40 EHGB CCOC(=O)c1ccc(NC(=O)[C@@](C)(CCl)SCC)cc1 2272205 OOGUZTAZXOWLFT-OAHLLOKOSA-N 329.849 3.552 50 40 EHGB C/C(=N\NC(=O)c1cc2c(s1)CCCC2)c1ccc2c(c1)OCO2 6945896 BUQDDIYTZBGOQN-YBFXNURJSA-N 342.420 3.510 50 40 EHGB CCC(C)(C)[C@@H]1CCc2n[nH]c(C(=O)N/N=C(\C)c3ccco3)c2C1 13635782 KZGGSTFHLWGOQL-HMHKGCENSA-N 342.443 3.698 50 40 EHGB CCCOc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1 23723884 ULVZUGWUFBQKOL-XDJHFCHBSA-N 334.419 3.741 50 40 EHGB COc1ccc(CC(=O)N/N=C\c2ccc(C(C)C)cc2)cc1OC 36144889 LCQMYRWBFLGPLM-BKUYFWCQSA-N 340.423 3.520 50 40 EHGB CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1 58503 SMRYFZIGTPGTOT-WOJGMQOQSA-N 347.212 3.612 50 40 EHGB Cc1ccc(CC(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)cc1 343229 COLXDVXYTQIBTB-DJKKODMXSA-N 337.206 3.700 50 40 EHGB O=C(N/N=C/c1ccc2c(c1)CCC2)c1cc2ccccc2cc1O 1596990 VNWOOBPTCNRICN-LPYMAVHISA-N 330.387 3.798 50 40 EHGB Cc1c([C@@H]2[C@H](CCNC(=O)CCl)C2(C)C)c2ccccc2n1C 2108396 RTTGLJZTWRWRMY-KSSFIOAISA-N 332.875 3.971 50 40 EHGB biogenic CC(C)(C)c1ccccc1OCC(=O)N/N=C/C=C/c1ccco1 4724405 RKEUTBWGHAKQBE-HOGMWEGNSA-N 326.396 3.771 50 40 EHGB O=C(Cc1cccs1)N/N=C/C(Br)=C\c1ccccc1 5731347 ADEAVHOROOIQPD-KYHBMPLESA-N 349.253 3.829 50 40 EHGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1 7385075 YJHWANAEOIIOMW-CJLVFECKSA-N 349.434 3.616 50 40 EHGB COc1cc(OC)c(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(OC)c1 33574738 DTYSLXOTTNCZAK-JYRVWZFOSA-N 340.335 3.685 50 40 EHGB COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(OC)c1OC 58822610 PEQFOQXRMGHNAO-UVTDQMKNSA-N 340.335 3.685 50 40 EHGB O=C(F)[C@](F)(OC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F 149592358 DIQJXOSFROSCFO-REOHCLBHSA-N 332.040 3.518 50 40 EHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1O 408890572 VVENFRCUCWGFLZ-LFIBNONCSA-N 336.391 3.899 50 40 EHGB CC(C)c1cc(/C=N/NC(=O)c2cccnc2)cc(C(C)C)c1O 408846308 MQDGRVNBAQDEAR-UFFVCSGVSA-N 325.412 3.798 50 40 EHGB Cc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1 408955898 VCEJIUUDRSLRJL-PDGQHHTCSA-N 329.403 3.742 50 40 EHGB CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 4903569 XXTRSOZFOKGRDX-GOSISDBHSA-N 338.407 3.680 50 40 EHGB O=[N+]([O-])c1ccc(/C(CBr)=N/N2CCCCCC2)cc1 5052774 YAGSSEDIGLAZGT-JQIJEIRASA-N 340.221 3.570 50 40 EHGB O=C(NNC(=O)c1cccs1)c1cccc(Oc2ccccc2)c1 5823451 OTEJHBAJNQPKOX-UHFFFAOYSA-N 338.388 3.615 50 40 EHGB C=CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(F)cc1 8812293 QYEGFFYRZVZHKI-RGVLZGJSSA-N 332.762 3.808 50 40 EHGB O=C(N/N=C/c1ccccc1F)c1cc2cc([N+](=O)[O-])ccc2s1 33736140 YYPSRWWFNTUOEY-GIJQJNRQSA-N 343.339 3.713 50 40 EHGB Cc1cc(C(=O)[C@@H](Br)CBr)ccc1Cl 307435941 OPTZQIWURHKWQB-QMMMGPOBSA-N 340.442 3.990 50 40 EHGB CCn1cc(/C=N/NC(=O)COc2c(C)cccc2C)c2ccccc21 408916813 ZGTIHODLKZWTTO-WSDLNYQXSA-N 349.434 3.807 50 40 EHGB Cc1cc(Cl)ccc1OCC(=O)N/N=C1\CCCc2ccccc21 358356 OBSUPJMGPAENLL-HEHNFIMWSA-N 342.826 3.884 50 40 EHGB CCCc1[nH]nc2c1[C@@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 377289 GKQRJEINEOYQEK-INIZCTEOSA-N 336.439 3.878 50 40 EHGB COC(=O)N/N=C/c1cn(Cc2ccccc2F)c2ccccc12 2262563 DHLQWQFHIANLKN-KEBDBYFISA-N 325.343 3.519 50 40 EHGB CCOC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 3275467 XMKMPMOKNNWLLK-DEDYPNTBSA-N 334.379 3.619 50 40 EHGB O=C(CCCSc1ccc(Cl)cc1)NNC(=O)c1ccccc1 3322420 CHYLSWBMXTZTGR-UHFFFAOYSA-N 348.855 3.674 50 40 EHGB Cc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)cc1 4652439 HMBOFMDBVFRZTJ-DUPVFGOHSA-N 334.375 3.508 50 40 EHGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)cc2)c1C 8220843 AYRJNQWQOQIXHM-SFQUDFHCSA-N 331.375 3.752 50 40 EHGB Cc1cccc(-n2nc(C(=O)NN)cc2-c2ccc3ccccc3c2)c1 408724937 NEIMRQMNAVXVLG-UHFFFAOYSA-N 342.402 3.604 50 40 EHGB Cc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(C)n1C 408771373 GEKFLZJDKZTZPG-LPYMAVHISA-N 348.450 3.813 50 40 EHGB NC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 4894814 HLGUTSKPZYKPPM-UFWORHAWSA-N 338.194 3.575 50 40 EHGB COc1ccc(OCC(=O)NN(c2ccccc2)c2ccccc2)cc1 5637531 MOQDAABSUOMHGF-UHFFFAOYSA-N 348.402 3.944 50 40 EHGB Cn1cccc1CC(=O)N/N=C\c1cccc(Oc2ccccc2)c1 31841443 SISOJJGGGDSXAR-QNGOZBTKSA-N 333.391 3.510 50 40 EHGB O=C(N/N=C/C1=C(c2ccccc2)[C@H]2C=C[C@H]1C2)c1ccccc1O 100456354 ZHJSRWVYYUMRRG-OKPGWNJLSA-N 330.387 3.768 50 40 EHGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)ccc1O 3963256 CSRCBDBGVMDCOO-OQLLNIDSSA-N 325.364 3.872 50 40 EHGB COc1ccc2nc(C)c(C(=O)NNc3cccc(Cl)c3)cc2c1 30614626 HOFQOJMNHYZMAR-UHFFFAOYSA-N 341.798 3.962 50 40 EHGB CCCCCCCCNC(=O)/C(C#N)=C\c1ccc2c(c1)OCO2 105406987 SEUWDOUSLKYVAZ-WJDWOHSUSA-N 328.412 3.799 50 40 EHGB CCCCCCCCNC(=O)/C(C#N)=C\c1ccccc1[N+](=O)[O-] 105407004 JDMCEAMFWNWNEQ-SSZFMOIBSA-N 329.400 3.978 50 40 EHGB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCBr)cc1 225610960 GKHMFVGLZVNXSH-OAHLLOKOSA-N 344.249 3.604 50 40 EHGB N#C/C(=C/c1cc(Cl)c(O)c(Cl)c1)C(=O)NCc1ccccc1 16157357 MCBPIFPCYQROFS-MLPAPPSSSA-N 347.201 3.922 50 40 EHGB O=C(N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21)c1cccnc1 33581520 QBHBTIYFDZZHPR-IRJMIRDBSA-N 343.386 3.740 50 40 EHGB N#C/C(=C/c1cccc(F)c1)C(=O)NCCc1c[nH]c2ccccc12 408953114 OTBMKYUAMZGPEW-YBEGLDIGSA-N 333.366 3.573 50 40 EHGB Cc1cc(C)c([C@H]2[C@H]3CCC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)c1 42532 QWKHHQOBOXPDAH-QFBILLFUSA-N 328.419 3.815 50 40 EHGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cccc3ccccc23)c1 566499 UISCHONIPRIATQ-LPYMAVHISA-N 332.403 3.986 50 40 EHGB CCc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1 5477274 QKNBMMFYNDPBTL-WOJGMQOQSA-N 331.213 3.775 50 40 EHGB CCOc1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc1OCC 5654209 AUXSGANXTVQCTR-PSYAORNOSA-N 344.455 3.760 50 40 EHGB CCOc1cccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)c1 6964764 NQLBTDKZYWVCNA-UDWIEESQSA-N 338.363 3.604 50 40 EHGB COc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc(C)cc1 17146221 TZCBJDYULUEOIS-XKZIYDEJSA-N 348.402 3.686 50 40 EHGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1cccc(Cl)c1 59333760 WMDOGMBJSCOFLK-DHDCSXOGSA-N 327.815 3.743 50 40 EHGB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)CSC#N 216860280 IVBZAVCMFFBQSK-UHFFFAOYSA-N 339.376 3.656 50 40 EHGB C[C@H](Oc1ccc(Cl)cc1)C(=O)NN=C/C=C/c1ccccc1 245241886 SOLVXYAPJUZBAG-RJVHIWKDSA-N 328.799 3.923 50 40 EHGB O=C(CCl)N(C[C@@H]1CCCO1)c1nc(-c2ccccc2)cs1 882098 JRCCWKSGMYRLRS-ZDUSSCGKSA-N 336.844 3.561 50 40 EHGB COC(=O)/C(C#N)=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 97990448 QLAZLDHLBNCZFM-WQLSENKSSA-N 342.282 3.606 50 40 EHGB CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 568801 BOECTIOOZOQZLS-GFCCVEGCSA-N 346.814 3.592 50 40 EHGB CCCC[C@H](C(=O)O)C(=O)N(Nc1ccccc1)c1ccccc1 1843304 FLWFHHFTIRLFPV-KRWDZBQOSA-N 326.396 3.938 50 40 EHGB in-man C[C@H](/C=N/NC(=O)c1ccccc1Br)c1ccccc1 4143211 VIXSGKWVFYIHRF-MBNTZHJCSA-N 331.213 3.968 50 40 EHGB CCCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccn2)cc1 5130176 OCZBDDGDCUSZHS-GNUZOCDUSA-N 343.452 3.501 50 40 EHGB C/C(=N\NC(=O)[C@H](C)SCc1ccccc1)c1ccccc1O 5362324 ZSQZTULRFOHPIJ-ITRAFESCSA-N 328.437 3.554 50 40 EHGB CCCOc1ccc(C(=O)N/N=C(\C)c2cc(Cl)ccc2O)cc1 216067856 PFOFLKDLRBOISY-UDWIEESQSA-N 346.814 3.988 50 40 EHGB C/C(=N\NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C)cc1 486690 QDASSBILEOXQEH-WOJGMQOQSA-N 331.759 3.711 50 40 EHGB O=C(Cl)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 2521296 FFUVPMDUKNWARM-UHFFFAOYSA-N 343.667 3.933 50 40 EHGB CC(/C=C/C=C/c1ccccc1)=N/NC(=O)c1ccc2c(c1)OCCO2 4834829 UXGTVMIDJBKVCR-POXGOMBFSA-N 348.402 3.833 50 40 EHGB C/C(=N\NC(=O)c1cc(C)n(-c2ccccc2)c1C)c1ccccn1 7244615 PHQYWJHPNLDLSP-PXLXIMEGSA-N 332.407 3.643 50 40 EHGB C[C@H]1Oc2ccccc2C=C1/C=C(\C#N)c1nc(=O)c2ccccc2[nH]1 12438494 LYCXOIVLRNRCSF-KWWJGWKXSA-N 341.370 3.695 50 40 EHGB CCc1ccc2nc(NC(=O)[C@@H](Br)CC)sc2c1 20132362 MVCNIFHMAOCEGX-VIFPVBQESA-N 327.247 3.971 50 40 EHGB CCOC(=O)c1nn(-c2ccccc2)cc1/C=C(/C#N)c1ccccn1 54801685 ZYEGBMBJUWFFRP-QINSGFPZSA-N 344.374 3.508 50 40 EHGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NC1CC1 59133247 BLFYRTHBNANART-LFIBNONCSA-N 336.366 3.590 50 40 EHGB CCCC[C@@H](C(=O)NN)N1c2cc(C)c(C)cc2C(C)=CC1(C)C 223228768 IJBMQRZRCKTDPH-KRWDZBQOSA-N 329.488 3.854 50 40 EHGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(Cl)cc1 4996176 CGFRBBJUVNCBCA-WOJGMQOQSA-N 331.759 3.711 50 40 EHGB C/C(=N\NC(=O)[C@@H](C)Sc1ccccc1)c1cccc([N+](=O)[O-])c1 20248894 WVXZJQUSBMBJGZ-RNEAKCBISA-N 343.408 3.616 50 40 EHGB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)NC(C#N)=C(Cl)Cl 27562299 AFTMDBUWOXYFQD-XNCJUZBTSA-N 328.026 3.864 50 40 EHGB C[C@H](Sc1nncs1)C(=O)/C(C#N)=C1/Nc2ccccc2S1 104858018 PCICQYBNUUKMPK-PHAVJPBESA-N 346.462 3.541 50 40 EHGB CC(C)c1[nH]nc2c1[C@@H](c1ccccc1C(F)(F)F)C(C#N)=C(N)O2 4165698 LINWKUMBXGADBO-LBPRGKRZSA-N 348.328 3.770 50 40 EHGB C/C(=N/NC(=O)c1ccc(C)c(C)c1)c1ccc(NC(=O)C2CC2)cc1 17072578 YZTLEJNVXKAUFZ-HAHDFKILSA-N 349.434 3.806 50 40 EHGB O=C(NN=C(c1ccccc1)c1ccccc1)c1cn2ccccc2n1 58356820 AAPNAFMYOGUIHH-UHFFFAOYSA-N 340.386 3.517 50 40 EHGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(N2CCCCC2)o1 100377402 XRYUZVYHIWWEGC-AERFACGASA-N 329.444 3.546 50 40 EHGB CC(/C=C/c1ccccc1)=NNC(=O)c1cccc(Cn2cccn2)c1 254750712 AQYLZORDAJPECW-VKVNIYMMSA-N 344.418 3.751 50 40 EHGB Clc1ncc(Cl)c(=Nc2ccccc2CBr)[nH]1 642880860 LZUIQWXRXIBLJB-UHFFFAOYSA-N 333.016 3.844 50 40 EHGB N#Cc1ccccc1-c1ccc(/C=N/NC(=O)CCc2ccccc2)o1 4545162 HBGXUWOCWQJVLA-HZHRSRAPSA-N 343.386 3.901 50 40 EHGB CCc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2Cl)cc1 12728291 QBCVPEVVZGUBKE-UHFFFAOYSA-N 337.206 3.631 50 40 EHGB C/C(=N/NC(=O)c1cc(-c2ccc(C)s2)n[nH]1)c1ccc(F)cc1 13647369 QMSLRNGMGCTFQH-ODLFYWEKSA-N 342.399 3.740 50 40 EHGB CC1(C(=O)Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F 100502920 FEQQEOFSSOXCKK-UHFFFAOYSA-N 340.544 3.948 50 40 EHGB O=C(N/N=C/C=C/c1ccco1)c1cc2cc([N+](=O)[O-])ccc2s1 107788467 UCJPWTWWXNPMAY-FGLBKGJBSA-N 341.348 3.832 50 40 EHGB O=C(CCl)N(Cc1ccncc1)c1cccc2c(O)cccc12 199754826 FZDHGCOXQPHKCS-UHFFFAOYSA-N 326.783 3.712 50 40 EHGB CCn1c(C)c(/C=N/NC(=O)c2cccc(OC)c2)c2ccccc21 561495 AZLXBNZOHKLEKM-FYJGNVAPSA-N 335.407 3.742 50 40 EHGB Cc1ccc2c(c1)/C(=C(\C#N)C(=O)Nc1ccc(Cl)cc1)C(=O)N2 39555997 UMELIWRFEBYGKQ-PEZBUJJGSA-N 337.766 3.516 50 40 EHGB CC(C)N1CCC(=NNC(=O)c2ccc(Cl)cc2Cl)CC1 55008643 ZPJGIUOZCYKUBL-UHFFFAOYSA-N 328.243 3.583 50 40 EHGB O=C(CCCC[C@@H]1CCSS1)N[C@H](C(=O)O)c1ccccc1 96221987 LSEZHTXSIOXYSY-HIFRSBDPSA-N 339.482 3.643 50 40 EHGB biogenic N#CC(C#N)=Cc1ccc(-c2ccc(I)cc2)o1 113861528 BFFZDYDQDZYTST-UHFFFAOYSA-N 346.127 3.982 50 40 EHGB C[C@@H](Cl)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1 4079029 YLQSLPWYHBORCZ-ZCFIWIBFSA-N 346.637 3.533 50 40 EHGB COc1ccc(/C(C)=N/NC(=O)CNc2cccc3ccccc23)cc1 5725272 NGSADMLCCKWLRZ-HZHRSRAPSA-N 347.418 3.801 50 40 EHGB COc1ccc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)c(OC)c1C 409051051 HKXUUKDKFIMQPL-KEBDBYFISA-N 346.814 3.738 50 40 EHGB O=C(N/N=C/c1ccccc1Cl)c1cccc(Br)c1 3156365 MCSLZHOIEUAZTR-RQZCQDPDSA-N 337.604 3.866 50 40 EHGB N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(N)=O 408866262 GTZSMPOOOAZOOK-SFQUDFHCSA-N 328.371 3.811 50 40 EHGB CN(C)CCN(C)c1ccc(/C=C(\C#N)c2ccc(C#N)cc2)cc1 1857797429 BCLYGBLOTWSFBR-XSFVSMFZSA-N 330.435 3.620 50 40 EHGB COc1cccc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)c1O 257071 ANSUONDBHCOLOE-HYARGMPZSA-N 346.386 3.832 50 40 EHGB COc1cccc(N2[C@@H](Cl)C(=O)[C@H]2c2c[nH]c3ccccc23)c1 1633490 CDBNCKGMNLGJJQ-SJLPKXTDSA-N 326.783 3.872 50 40 EHGB COc1ccc(C2=NN(C(=O)CCl)[C@@H](c3ccc(F)cc3)C2)cc1 4855907 ICYPVOBIIUXTRU-QGZVFWFLSA-N 346.789 3.751 50 40 EHGB CCc1ccc(/C(C)=N/NC(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 6124862 UDDTVDKDUYWQKP-GZTJUZNOSA-N 331.397 3.681 50 40 EHGB COC(=O)C1=C(C)NC(SC)=C(C#N)[C@@H]1c1ccccc1Cl 20348173 MHSVWJJYCCSEAQ-AWEZNQCLSA-N 334.828 3.572 50 40 EHGB Cc1cc(C)nc(SCC(=O)NN=C2CCC(C(C)(C)C)CC2)n1 20986369 RIBRSBJIQKNOBH-UHFFFAOYSA-N 348.516 3.894 50 40 EHGB CC1=C(C=O)C[C@@H]2[C@@](C)(CCC3=CC(=O)O[C@H]3O)[C@H](C)CC[C@@]12C 34849764 NZIQEPLIKSMSRT-ZBTYEMKPSA-N 332.440 3.546 50 40 EHGB biogenic C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccccn3)cc21 208203825 OTTSOVLYUQZXRN-CYGNYLSHSA-N 336.439 3.568 50 40 EHGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2Cl)cc1 223173238 RHIMGMZHYFJYPW-UVTDQMKNSA-N 340.766 3.672 50 40 EHGB CCn1cc(/C=N/NC(=O)Cc2cc(C)ccc2C)c2ccccc21 409359309 BIENJRYQHIMMTQ-LPYMAVHISA-N 333.435 3.971 50 40 EHGB C=CCN1C(=O)/C(=C(/C#N)c2nc3ccccc3[nH]2)c2ccccc21 4494581 VHHGRGHENVCONF-JXAWBTAJSA-N 326.359 3.530 50 40 EHGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)c(Cl)c2)c1 4525085 GIVKURTUKMAYRJ-GHXNOFRVSA-N 328.755 3.600 50 40 EHGB O=C(Cc1ccc(Br)cc1)N/N=C/C=C/c1ccccc1 4735253 UEYKNVOYGQDSJJ-MZBBQUMVSA-N 343.224 3.807 50 40 EHGB CCCOc1ccc(/C=N/NC(=O)c2cc(Cl)ccc2OC)cc1 5469339 KPBSTMYYQQUDED-UDWIEESQSA-N 346.814 3.901 50 40 EHGB COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OC(C)C 6828204 KBSBVKXVCJQRIA-WJDWOHSUSA-N 342.439 3.838 50 40 EHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(C)cc2)cc1 7164935 RSXWMHBXPVMDEF-SFQUDFHCSA-N 334.375 3.717 50 40 EHGB O=C(NCCC(c1ccccc1)c1ccccc1)NNc1ccccn1 24638121 NITOGYWVGJHGCP-UHFFFAOYSA-N 346.434 3.930 50 40 EHGB O=C(CCCC[C@@H]1CCSS1)NCCc1nc2ccccc2[nH]1 32276507 ZVQPIDALEVGXTC-CYBMUJFWSA-N 349.525 3.936 50 40 EHGB biogenic Clc1cc(I)ccc1CBr 88611483 USXRFLQNCSQPDS-UHFFFAOYSA-N 331.378 3.840 50 40 EHGB in-vitro Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(-n3ccnc3)cc2)cc1 96843613 VWDSTDNACSAXSY-UNOMPAQXSA-N 349.415 3.519 50 40 EHGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1O 408853536 PEFGTEQEQZIGTG-OCKHKDLRSA-N 344.754 3.564 50 40 EHGB COc1cc(/C=N/NC(C)=O)cc(Cl)c1OCc1ccc(C)cc1 409012058 IQAHZGJIDOTPHJ-KEBDBYFISA-N 346.814 3.706 50 40 EHGB CO[C@H]1CCN(C(=O)/C(C#N)=C/C(C)C)C[C@H]1Cc1ccc(C)cc1 585290070 RMGFGGNOYYEZIP-INQFTJRBSA-N 340.467 3.507 50 40 EHGB