smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N#C/C(=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)c1nc(O)c2ccccc2n1 34379453 LLELSZPRNDYNHV-XKZIYDEJSA-N 473.580 6.053 50 50 JKGA Cc1cn([C@@H]2O[C@]3(CCC[C@H]3O[Si](C)(C)C(C)(C)C)C[C@H]2Sc2ccccc2)c(=O)[nH]c1=O 169836801 IVTCXQRVSXULCT-KLPRUGGUSA-N 488.726 5.238 50 50 JKGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OCc2ccc(C)cc2)cc1 2544345 BOMZNHXCMHAHPB-JVWAILMASA-N 479.374 5.665 50 50 JKGA COc1cccc(COc2ccccc2/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 4229728 NLWHPSFCSZUHOG-RDRPBHBLSA-N 453.542 5.446 50 50 JKGA Cc1ccc2nc(Cl)c(/C=C(\C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)cc2c1 16511805 IHWIHCNFHFRTEW-VCHYOVAHSA-N 455.926 6.491 50 50 JKGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2cccc(Cl)c2)ccc1OC(=O)c1ccccc1Cl 2543218 RJJPYUQLVRFXEA-FYDYWCEBSA-N 487.339 5.139 50 50 JKGA COc1ccc(-c2cc(C(=O)N/N=C/c3cc4c(cc3Cl)OCO4)c3ccccc3n2)c(OC)c1 2730184 LUTPEBRZOFPALP-XODNFHPESA-N 489.915 5.065 50 50 JKGA CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(C)cc2)cc1 4209332 VBDOBHBNPFEAPC-SQEMJAKJSA-N 485.367 5.829 50 50 JKGA CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(CC(C)(C)CC3=O)N2)cc1 4761252 BAYQWVBKEYTVKO-QHCPKHFHSA-N 493.654 5.584 50 50 JKGA N#CC1=C(N)Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc2[C@@H]1c1c(F)cccc1Cl 1857799466 DPNCZVFROCNYJC-FQEVSTJZSA-N 491.327 5.118 50 50 JKGA COc1cc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)ccc1OCc1ccc(Cl)cc1 2597252 KWHIAQNOHHDJJW-RWPZCVJISA-N 466.965 5.580 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 2597688 OJWAWVCQTFZHHX-MTDXEUNCSA-N 460.530 5.166 50 50 JKGA N#CC1=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 3664812 AOVFDBSBBKQIBG-HSZRJFAPSA-N 485.569 5.102 50 50 JKGA C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 4372771 PMORBYRNYKWXIE-IKQNMSGQSA-N 494.547 5.402 50 50 JKGA N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC(=O)C[C@H]1c1ccc(OCc2ccccc2)cc1 9089108 OCPPIDQTFDKGKK-QHCPKHFHSA-N 487.556 5.115 50 50 JKGA COc1ccc(-c2n[nH]c3c2[C@H](c2cccc(OCc4ccc(C)cc4)c2)C(C#N)=C(N)O3)cc1 20367388 KJVSEXHOEYHYRS-XMMPIXPASA-N 464.525 5.191 50 50 JKGA Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(F)c(F)c3)oc2c1 1857799844 GZMMFOJITQULDL-RUZDIDTESA-N 486.474 6.074 50 50 JKGA Cc1cc([C@@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CC(C)(C)C3)c(C)s1 2501779 SCSMOFICDKFUGE-JOCHJYFZSA-N 462.575 5.522 50 50 JKGA COc1cc(/C=N/NC(=O)c2cccc(C)c2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2529668 CRMFPEVGBKJJOQ-LGJNPRDNSA-N 457.313 5.294 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2cccc(C)c2)cc1 2530620 YJQDZESCVJSFFU-STBIYBPSSA-N 452.510 5.205 50 50 JKGA COc1cccc(-c2csc(/C(C#N)=C/c3ccc(OCC(=O)c4cccc([N+](=O)[O-])c4)cc3)n2)c1 16320008 QWOKBZQERRTOPZ-CIAFOILYSA-N 497.532 6.053 50 50 JKGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc(Cl)cc1 2572911 RVUYTHHJPHEKII-ZMOGYAJESA-N 457.711 5.086 50 50 JKGA CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)ccc1OC(=O)c1ccccc1 4326894 KDVGGGLUDWAEAW-PAYBXDNHSA-N 482.536 5.375 50 50 JKGA Cc1sc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1CSc1nc2ccccc2s1 12372411 GRCALWWDQVEDAU-FQEVSTJZSA-N 465.625 5.773 50 50 JKGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3cccc(OCc4ccc(Cl)cc4)c3)cc2)cc1 2513431 PEVHJQZSGYLJAQ-FDAWAROLSA-N 484.983 6.570 50 50 JKGA C=CCc1ccccc1OCC(=O)N/N=C/c1c(OC(=O)c2cccc(C)c2)ccc2ccccc12 2531585 KTTLDCDDSQPWFF-ZCTHSVRISA-N 478.548 5.625 50 50 JKGA N#CC1=C(n2cccc2)N(c2cccc(Cl)c2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12 12377295 DDMZKPNMUSEAPW-MHZLTWQESA-N 466.928 5.251 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccc4ccccc4c3)c2[C@H]1c1cccc(OCc2ccccc2F)c1 623053 XHWUCAQDBPAIJM-SANMLTNESA-N 488.522 6.166 50 50 JKGA CCOc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1cccc(C)c1 2531498 UYFSRTATSLFLPZ-CVKSISIWSA-N 481.346 5.139 50 50 JKGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)c1 4292554 CENHFDVTROZNPQ-JZNDDVEWSA-N 471.340 5.439 50 50 JKGA C/C(=N\NC(=O)c1c(-c2ccccc2Cl)noc1C)c1ccc(NC(=O)c2ccc(C)s2)cc1 8453983 TYBZSNPKWARDFS-RWPZCVJISA-N 492.988 6.080 50 50 JKGA CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(Br)cc1 20549841 HVWCUHKSAULDFL-NTEUORMPSA-N 485.363 5.012 50 50 JKGA N#C/C(=C(/O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2ccc(F)cc2)cs1 100989587 ONVHXAIYQZWAKY-PGMHBOJBSA-N 467.865 6.721 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3c(F)cccc3Cl)nnc2-c2ccccc2)cc1 2232034 XAHPDZZWADOTRC-MZJWZYIUSA-N 479.968 5.278 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1)c1cc2ccccc2o1 4210492 KEPQIYLQOPRGER-MZJWZYIUSA-N 474.925 6.284 50 50 JKGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(Cl)cc2)cc1 4259317 DQZDFXYYLQZRTQ-OGLMXYFKSA-N 458.949 5.745 50 50 JKGA N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 16362193 NYCYKDWCIYCTGG-LFIBNONCSA-N 467.428 7.061 50 50 JKGA CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)c1 28467555 JNYMADYXPDVQHR-PYCFMQQDSA-N 473.580 6.967 50 50 JKGA CCCCOc1ccc(/C=N\NC(=O)c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 33673503 HGMFUVYGJMNJNY-LQNQUEJISA-N 498.505 6.292 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 102293046 NFQDZGCIFFQZSK-WEMUVCOSSA-N 476.636 7.929 50 50 JKGA C/C(=N\NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 1002326 IQKICJWIRPZQJI-ZMOGYAJESA-N 456.911 5.024 50 50 JKGA CCCCOc1ccc(Br)cc1/C=N/NC(=O)c1cc(Br)ccc1OC 2506253 SAJNJPCKRQVAPT-WSDLNYQXSA-N 484.188 5.163 50 50 JKGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 2530319 INAWCWLXDHVEJP-MUFRIFMGSA-N 488.927 5.250 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 4282208 SAGSRGJDGPGZLV-TWKHWXDSSA-N 466.537 6.002 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1cccc(Br)c1 5317705 XBDIMVDLVSVTJV-WPWMEQJKSA-N 493.430 5.480 50 50 JKGA CCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)cc3OC)c3ccccc3n2)cc1 2090112 VJLCFSHAVIUIEP-NDZAJKAJSA-N 483.568 5.862 50 50 JKGA CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CCC2 2381718 RRASEUPMHHBRMM-OAQYLSRUSA-N 470.063 6.381 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)c1ccc(Cl)cc1Cl 2521812 RTRNCIRMGMBSHL-LGJNPRDNSA-N 473.312 5.081 50 50 JKGA O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1)c1ccc(Cl)cc1Cl 2585055 CXBUBTULBNIEGE-BRJLIKDPSA-N 492.156 5.739 50 50 JKGA COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Cl)c1OCc1ccccc1F 2837785 DTKVFLJHHYZDOU-QHCPKHFHSA-N 480.879 5.014 50 50 JKGA COc1cc(OCc2ccccc2)ccc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl 2896283 JFABLKSEBMQPLT-LGJNPRDNSA-N 459.329 5.110 50 50 JKGA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(F)cc2)N1 8857444 IZKKACACVJWEPK-RUZDIDTESA-N 487.556 5.678 50 50 JKGA C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1OCc1ccc(Cl)cc1 43761100 VJJTWCYOAJUYGQ-JFLMPSFJSA-N 497.776 5.457 50 50 JKGA CCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2C)cc1 102288775 CAGASFFZHAFYOW-WGPBWIAQSA-N 492.704 8.146 50 50 JKGA C/C(=N\NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(NC(=O)c2ccccc2F)cc1 673415 CKEKKUFBCNLQEQ-MUFRIFMGSA-N 456.477 5.195 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)c2ccccc2)N1 874734 USLOJLSLVYGMFJ-DEOSSOPVSA-N 471.607 5.699 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(N)=C(C#N)[C@@H]2c1ccccc1 2188768 CCUBNZBODKCXQE-QHCPKHFHSA-N 454.599 5.439 50 50 JKGA O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 4261348 XNEGBYFDADJPJZ-LQKURTRISA-N 458.901 5.242 50 50 JKGA CN1C(=O)[C@]2(C(C#N)=C(n3cccc3)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CCC3)c2ccccc21 12416852 FIGSTQYPQVDVAF-NDEPHWFRSA-N 498.945 5.414 50 50 JKGA CC1(C)/C2=C/C[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]3(C)[C@@H](OC(=O)CCl)C[C@H]1CC2 169832405 DWJZWKHFYVIJBX-DMPVVJLLSA-N 469.182 7.490 50 50 JKGA C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/CP(=O)(c1ccccc1)c1ccccc1 169878833 OFSDSMTXHBTJEI-GUHCFGCBSA-N 452.651 7.057 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCl)CC[C@]4(C)[C@@H]3CC[C@@]12C 253525024 XUXXPLDKUZSGKH-GINCOIQFSA-N 463.146 8.178 50 50 JKGA COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1 2597251 ZWVGYZFJXDRUFD-KKMKTNMSSA-N 493.774 5.764 50 50 JKGA CCCc1cc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(C)cc2)cs1 20568888 OHKXMBCKVFGQSE-DHRITJCHSA-N 471.420 6.114 50 50 JKGA O=C1OC(=O)[C@@H]2[C@H]3c4ccccc4[C@@H](c4cc5c(cc43)C3c4ccccc4C5c4ccccc43)[C@H]12 101010537 GKTGYQBTOQNKNB-CSXACLAXSA-N 452.509 5.580 50 50 JKGA C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2530113 PGIAIWPATIMVCA-SVMUSQEWSA-N 472.928 5.630 50 50 JKGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cccc3ccccc23)c1 2585045 GQFBIOWDXMILDL-LQKURTRISA-N 487.353 5.894 50 50 JKGA COc1cc(/C=C(\C#N)c2nc(-c3cccs3)cs2)ccc1OCC(=O)Nc1ccccc1 8763786 JTRJDHZJMOOFLZ-LDADJPATSA-N 473.579 5.962 50 50 JKGA CCOc1ccc(C2=C(C=NNC(=O)c3ccncc3)[C@H](c3ccccc3)c3ccccc3O2)cc1 252679529 NSVBXTYEBOXCGQ-MUUNZHRXSA-N 475.548 5.832 50 50 JKGA Cc1ccsc1[C@H]1C(C#N)=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C1C(=O)CC(C)(C)C2 2380197 RVIAFOZZQOSFGX-QFIPXVFZSA-N 488.682 6.199 50 50 JKGA CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@]2(C)C[C@H]1CC[C@H]1CC(=O)O[C@H]1[C@@H]2OCOCC[Si](C)(C)C 169834290 IUPUBPPNXIUWNE-FPAATCSKSA-N 498.853 6.606 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](Br)C(=O)C[C@]4(C)[C@@H]3CC[C@]12C 257347823 VIIVIWOTOXHLTG-MMVZECFCSA-N 463.544 7.970 50 50 JKGA CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1OC 1775977595 ZSGQEZJGBWOUHB-SANMLTNESA-N 470.525 5.230 50 50 JKGA CCc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1 2269233 SUXKBUZTWHAECS-LQKURTRISA-N 490.032 5.701 50 50 JKGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3OCc3ccc(Cl)cc3)cc2)c1 2543688 NVBUUKYDOCRRCA-FDAWAROLSA-N 498.966 6.211 50 50 JKGA COc1cccc(/C=C2/CCCC3=C2OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)c1OC 2743851 CTVLQMQEWOKQLT-QHASNUMTSA-N 460.530 5.050 50 50 JKGA O=C(NNC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1)Nc1cccc(C(F)(F)F)c1 2857626 OLZDVGYAZCSVHL-UHFFFAOYSA-N 488.249 5.651 50 50 JKGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc4ccccc4c3)cc2)cc1 4229633 SSYYYZIJAWVJCZ-MJDZGMBVSA-N 452.510 5.285 50 50 JKGA O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5403111 NQCWALNSPHUCOI-KCSSXMTESA-N 466.544 6.399 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1c(O)ccc2ccccc12 13231351 ALDQLSJPFJYHJC-LQKURTRISA-N 466.566 5.186 50 50 JKGA C=CCSc1oc(-c2ccc(C)cc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97976850 XNXABPLAXFFXKO-UHFFFAOYSA-N 492.604 6.548 50 50 JKGA CCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 102317019 HNVGZKZNUGWQRN-JBASAIQMSA-N 485.068 7.710 50 50 JKGA CC1(C)[C@H]2CC[C@@]13[C@@H](Cl)C(=O)[C@@H]3C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]1(C)[C@@H](O)C2 257358735 WCMMBNGYLSPLMX-IYUKWUPFSA-N 469.182 6.567 50 50 JKGA COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2553683 HXODAZBFAIQHHC-WKULSOCRSA-N 493.346 6.138 50 50 JKGA CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2ccccc2C(F)(F)F)C2=C1C(=O)CCC2 2895403 CDXKKPSNMKOIRG-IBGZPJMESA-N 475.561 6.184 50 50 JKGA C/C(=N/NC(=O)c1ccc(COc2cc(C)cc(C)c2)o1)c1cccc(NC(=O)C2CCC2)c1 8456107 LLDRHZVBYYMEFT-CEUNXORHSA-N 459.546 5.368 50 50 JKGA N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 16361920 SCKAOQKCJOHPBM-KGENOOAVSA-N 475.533 6.635 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OCC)cc2)c(OCC)c1 102275421 SCHJTWSGPZMLLE-XHLNEMQHSA-N 482.621 6.294 50 50 JKGA C=C[C@@](C)(CO[Si](C)(C)C(C)(C)C)C[C@@H]1O[C@@H](OC)[C@@]23C(=O)CC[C@@H]2CC[C@@H](C)[C@@]13C 169830430 JCZOIXZBXUZEHN-BMHZIKSKSA-N 450.736 6.364 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@H]2c1ccc(C(C)(C)C)s1 1057078 LYZNQWGEJKVRRA-QFIPXVFZSA-N 476.602 5.895 50 50 JKGA CC(C)Oc1ccc(-c2cc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3O)c3ccccc3n2)cc1 2090174 JKEFPMMWIHGFOP-JFLMPSFJSA-N 470.485 5.067 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(-c4ccccc4)cc3)cc2)cc1 2543122 HSTNEGYNNINMQH-AJBULDERSA-N 494.547 5.501 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1ccccc1Cl 4642239 VCPLJSADUIJGMY-QFIPXVFZSA-N 491.827 6.548 50 50 JKGA CCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 1840687 UBVWMEINGQGRRC-RDRPBHBLSA-N 499.640 5.582 50 50 JKGA CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 2893294 IAWXRORZTWXJNB-RUZDIDTESA-N 475.036 6.127 50 50 JKGA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)c(C)c1 12621460 BMOQGZPPJGBIHQ-CAPFRKAQSA-N 462.578 6.920 50 50 JKGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2ccc(Br)s2)C2=C1CCCC2=O 25782062 NVVADODIWRXEOG-IBGZPJMESA-N 474.811 5.777 50 50 JKGA CCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 102288289 RFNSLKSHGFJKSB-YJICEZONSA-N 476.661 7.457 50 50 JKGA O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3c(ccc4ccccc34)N[C@H]2c2ccccc2)[C@H]1Cl 239347244 MNJHTWREHWCETR-PWYBXAIBSA-N 487.024 7.787 50 50 JKGA N#CC1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 713577 LHVRPUGAYUAZIP-FQEVSTJZSA-N 488.853 5.572 50 50 JKGA CCc1ccc([C@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)cc1 2188858 YRNMWOAWPRSULP-VWLOTQADSA-N 468.626 5.756 50 50 JKGA CCn1c(SCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)nnc1-c1ccc(OC)cc1 2342714 AYIWNVRXZMNICV-STBIYBPSSA-N 495.608 5.522 50 50 JKGA CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C1C(=O)CCC2 2891886 UAPLUCICYTWBLK-LJQANCHMSA-N 476.454 6.472 50 50 JKGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1c2ccccc2cc2ccccc12 4209948 ZVDQEDAHYCKFFM-IPPBACCNSA-N 471.969 5.741 50 50 JKGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3cccc(Oc4ccccc4)c3)cc2)cc1 4231917 YIINHBKKCJXAPS-TURZUDJPSA-N 485.565 5.352 50 50 JKGA CC(C)c1ccc(OCC(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 4261067 WHLQTVNTZPRQQG-UXHLAJHPSA-N 466.537 5.712 50 50 JKGA COc1cc([C@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OCc1ccccc1 19770300 KNNLQPINRLAXSB-NGQVCNFZSA-N 476.576 6.159 50 50 JKGA Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 1875363354 CRIOCTYWHWEIOY-MDWZMJQESA-N 498.814 6.417 50 50 JKGA CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc3ccccc3c2)ccc1OC(=O)c1ccccc1 2530479 KDVGGGLUDWAEAW-MXEPNMHZSA-N 482.536 5.375 50 50 JKGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccc(C)c(C)c2)cc1 4259641 GAFQFDJUSCTMOS-MZJWZYIUSA-N 495.373 5.123 50 50 JKGA C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 4283336 OFGUEZCFLLVNJX-HRJIBFCWSA-N 458.945 5.990 50 50 JKGA C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 4287596 QHNUNHKEJHYGEH-HWDKICEFSA-N 491.758 5.784 50 50 JKGA COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1cccc(OC(=O)c2ccc(C)cc2)c1 20366786 LNTOXBDDSCYROK-UDWIEESQSA-N 488.565 5.731 50 50 JKGA COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OC(=O)/C=C/c1ccccc1 2521150 YYWYUJQMEOHCCU-QSYKBLARSA-N 499.350 5.150 50 50 JKGA C=CCOc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)cc1 2530328 VBWYBPPREUNTLW-NDZAJKAJSA-N 480.520 5.396 50 50 JKGA O=C(COc1ccc(Cl)cc1)N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl 4229644 XXGSMQSABFFTFY-UVHMKAGCSA-N 499.375 5.956 50 50 JKGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 4366657 ZZUIBVIXTQNONQ-OGLMXYFKSA-N 480.948 5.267 50 50 JKGA N#C/C(=C/c1ccc(OCc2ccccc2F)c(Br)c1)c1ccc([N+](=O)[O-])cc1 16319783 RAGXZLBSPWTPGX-WQRHYEAKSA-N 453.267 6.140 50 50 JKGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)cc4)c32)ccc1OC(=O)c1ccccc1 20228558 LXOSZZNFVAVXON-QFIPXVFZSA-N 498.926 5.176 50 50 JKGA CCCCc1ccc(NC(=S)NNC(=O)c2ccc(COc3cc(C)cc(C)c3)o2)cc1 20572821 CIMVZOQFYAYTGD-UHFFFAOYSA-N 451.592 5.449 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)o3)nnc2-c2ccc(Cl)cc2)cc1 2329895 OFYKCIBLXLHSQF-DHRITJCHSA-N 465.966 5.040 50 50 JKGA CCc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccc(Br)cc3)C(C(C)=O)=C(C)N2)cc1 2921828 IVSJXHUIQKFAEK-DEOSSOPVSA-N 495.442 5.913 50 50 JKGA CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)cc1 1445617 SPWWBGCTNCKKFY-JOCHJYFZSA-N 453.464 5.409 50 50 JKGA O=C(NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1)c1ccc(Cl)cc1Cl 1950930 RGUPDKQRBVFZQA-UHFFFAOYSA-N 488.172 6.123 50 50 JKGA O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2F)c(OC(=O)c2ccccc2)c1)c1ccccc1 2532173 SSQCUYDWIVTZMV-UXHLAJHPSA-N 482.467 5.028 50 50 JKGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2OCc2cccc3ccccc23)n[nH]1 4527985 DGYDFGSTONMHAB-STBIYBPSSA-N 491.507 5.481 50 50 JKGA Cc1cc(COc2ccc(Cl)cc2C)c(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1 2743734 PXSSZSHYLQHAGN-RUZDIDTESA-N 477.004 6.295 50 50 JKGA CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CC(C)(C)C2 9981285 QMOOPJZDZWZRLR-FQEVSTJZSA-N 470.063 6.373 50 50 JKGA N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 16361954 VZWBCVLGJHTMDD-XNTDXEJSSA-N 491.355 7.547 50 50 JKGA C/C(=N/NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 22063896 VCWXLGAMONAJQH-JRZQGWAXSA-N 466.368 5.890 50 50 JKGA CCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 102279735 DSKSRTAJEHUCDN-KOEQRZSOSA-N 459.384 5.869 50 50 JKGA N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@@H]1c1cc(Br)cs1 705640 ZODNQRNZCCDKSB-SFHVURJKSA-N 494.336 5.834 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)s3)nnc2-c2ccc(Cl)cc2)cc1 1837541 QBKDEKFZHKDYGU-DHRITJCHSA-N 482.034 5.508 50 50 JKGA COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccc(C)cc1 2506386 QQFNTJOTPHHMHI-ZCTHSVRISA-N 494.547 5.419 50 50 JKGA CCOc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)cc1 2542459 UTUDALZTTCSGDY-RDRPBHBLSA-N 468.509 5.230 50 50 JKGA Cc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl 2553102 QZWKZHFJFKKDTQ-DHRITJCHSA-N 471.738 5.394 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cc(Cl)cc(Cl)c1)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])s1 12402291 JUYOBXRFDWYLJI-LJQANCHMSA-N 489.384 5.904 50 50 JKGA CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc32)cc1 1857799613 ONKIFIJGJWBMHG-JOCHJYFZSA-N 484.986 5.048 50 50 JKGA N#CC1=C(n2cccc2)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@H]1c1ccsc1 1432893 RDSOHNGGPXHKSM-QFIPXVFZSA-N 465.500 6.572 50 50 JKGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccc(Br)c1 2934319 POWGZZHQQMTDCD-VULFUBBASA-N 463.310 5.205 50 50 JKGA Cc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1 4210046 KGPMBUPDDIDJGH-MZJWZYIUSA-N 478.957 5.611 50 50 JKGA C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 4283186 UZNGFMMZELPNJH-JOBSNELWSA-N 487.781 5.599 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1)c1ccc(Cl)cc1 9015454 FQOVXPANVIDNKA-MTDXEUNCSA-N 458.949 5.772 50 50 JKGA COc1cc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OCc1ccccc1 19770301 KNNLQPINRLAXSB-AYWVHJORSA-N 476.576 6.159 50 50 JKGA CSc1oc(-c2ccc(C)cc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100722519 CQQWQVIKFSTKCW-UHFFFAOYSA-N 466.566 5.991 50 50 JKGA CCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1cccc(C)c1 102274382 PPIHRXVLDUQQAZ-YZSQISJMSA-N 473.411 6.177 50 50 JKGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 102294758 UHMNAXLFLRTEGB-MWAVMZGNSA-N 465.638 5.753 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCl)CC[C@]4(C)[C@@H]3CC[C@@]12C 257350374 WUBOZGDSEKAKCR-VOGQUFBPSA-N 465.162 8.258 50 50 JKGA COc1ccc(-n2c(SCC(=O)N/N=C/C(C)=C/c3ccco3)nnc2-c2ccc(C)cc2)cc1 2341696 HPUOOKABQQMPMU-RGLHLAAVSA-N 487.585 5.142 50 50 JKGA COc1cccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)c1 2544042 CYHXKOPGHOOUBM-DHRITJCHSA-N 487.737 5.094 50 50 JKGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccc(OC(=O)c4ccc(C)cc4)cc3)cc2)cc1 4360574 ZLADKPJHYIIBPO-ZCTHSVRISA-N 478.548 5.866 50 50 JKGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 4366060 PVJLOHVSWXDOKV-CQGIGXBHSA-N 464.521 5.490 50 50 JKGA COc1ccccc1/C=C/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl 13239676 KCLOUHPONPBGQP-CXTXFIMHSA-N 491.016 5.654 50 50 JKGA CCO[P@@](=O)(C(=O)C(C)(C)C)[C@](C)(O[Si](C)(C)C)P(=O)(OC(C)C)OC(C)C 169805875 FOKSKSWFILRPCI-QYBDOPJKSA-N 458.545 6.442 50 50 JKGA O=C(Nc1ccc(Br)cc1)[C@H](Br)[C@@H](Br)c1ccccc1 1737980 XFDWMSWRUOGPKM-UONOGXRCSA-N 461.979 5.287 50 50 JKGA N#CC1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl 2089899 CEJSRDVZIFEEHL-WXTAPIANSA-N 486.402 6.692 50 50 JKGA CC(C)(C)c1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3F)n2-c2ccccc2)cc1 2331277 SGYRYQKREMLYOQ-STBIYBPSSA-N 487.604 5.613 50 50 JKGA Cc1ccc(NC(=O)CCC(=O)NNC(=O)N2c3ccccc3Sc3ccccc32)c(C)c1 2886465 JMRAGEDPVROFOD-UHFFFAOYSA-N 460.559 5.066 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1)c1ccc(O)cc1 2898178 XEYBVFHEFYTUOO-DHRITJCHSA-N 450.903 5.243 50 50 JKGA COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OC(C)C 20549883 MWOGOSNNKDIPHR-LSHDLFTRSA-N 494.436 5.097 50 50 JKGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 100647483 ZQYCVRJPXJCFTE-YZSQISJMSA-N 467.010 5.516 50 50 JKGA Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C(\C#N)C(=O)Nc1cc(C(F)(F)F)ccn1 1875389611 VFWXSHDCCIJMHO-KPKJPENVSA-N 499.802 5.812 50 50 JKGA CC/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1ccc(O)cc1 5351722 AGHQQBCIPRHVTJ-SGWCAAJKSA-N 479.005 5.466 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)NCc2ccccc2)N1 12250722 SUMDDOJMGUUYQQ-MHZLTWQESA-N 494.620 5.071 50 50 JKGA COc1ccc(/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1OC 16671624 BUPCGJLYGYRZTC-WQRHYEAKSA-N 466.518 6.151 50 50 JKGA CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C1C(=O)CCC2 27550554 MYTUNVFWEWDPOI-NRFANRHFSA-N 480.615 5.635 50 50 JKGA Cc1ccc(C(=O)NC(=C(Cl)Cl)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 100734590 YSCMBWANTMOVIW-UHFFFAOYSA-O 491.378 6.323 50 50 JKGA COc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1OCc1ccc(C(C)(C)C)cc1 1857797403 LWNFOOLSZBOEES-UHFFFAOYSA-N 454.595 7.246 50 50 JKGA CCc1ccc([C@@H]2C(C#N)=C(SCC(=O)c3ccc(Cl)cc3)NC(C)=C2C(C)=O)cc1 1199010 MBRNNTBWWKUZDJ-XMMPIXPASA-N 450.991 5.803 50 50 JKGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3Cl)n2-c2ccc(C)cc2)cc1 2320800 SBOIRBKPCRFQNG-JFLMPSFJSA-N 492.004 5.147 50 50 JKGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2597696 YDTRYIPBYHFRBP-RWPZCVJISA-N 464.949 5.520 50 50 JKGA CC/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccc(O)cc1 13940476 BJTAJDZLOASNPA-ZZIIXHQDSA-N 485.613 5.279 50 50 JKGA CCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OCCC)cc2)c(OC)c1 102274505 WFXPYAJSFARYDT-VFCFBJKWSA-N 468.594 5.904 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@H](CC[C@@H]4[C@H](C)/C=C/[C@H](C)C(C)C)[C@@]34C=C[C@]2(C1)OO4 257356454 IDGDXRNODLQSAB-FGHSNXMZSA-N 468.678 6.965 50 50 JKGA O=C(N/N=C/c1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccccc1F 2530566 QCPPIPKOHVJLKW-IPPBACCNSA-N 481.310 6.269 50 50 JKGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 4231373 STILGGHSYYQCTE-UZWMFBFFSA-N 487.559 6.230 50 50 JKGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 4259263 QEUQKSJTYDUOEF-AASYHSMQSA-N 476.935 6.129 50 50 JKGA Cc1ccc2cc(/C=N/NC(=O)c3ccc(OCc4ccc(Cl)cc4)cc3)c(Cl)nc2c1 19800634 VSTREZAXTUUZSG-CCVNUDIWSA-N 464.352 6.193 50 50 JKGA CCCCCCCCCCCCCCCCN1C=C/C(=C\C=C(/C#N)C(=O)OC)c2ccccc21 100167113 PSNQISXMZBYGEP-GPAWKIAZSA-N 476.705 8.508 50 50 JKGA CCCCCCCCCCCCCCCC(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 102280786 PBRNMGLXVOCIAR-FEZSWGLMSA-N 499.139 8.850 50 50 JKGA Cc1ccc(C)c(-c2cc(C(=O)N/N=C/c3cc4c(cc3Cl)OCO4)c3ccccc3n2)c1 2103574 WJZDRMJCZDCIKT-XODNFHPESA-N 457.917 5.665 50 50 JKGA CCOc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(I)c1OC 15856133 DHGQZVQIDXMVCP-MDWZMJQESA-N 462.312 5.372 50 50 JKGA N#C/C(=C\c1ccc(COc2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc2c(c1)OCO2 20494063 PTMARTSPRNHUKL-NTUHNPAUSA-N 457.269 5.440 50 50 JKGA Cc1ccccc1P(c1ccccc1C)[C@@H](C)[C@@H]1CCC[C@H]1P(c1ccco1)c1ccco1 261364480 OUFDMQFHHZIZJR-NLJOTIRTSA-N 474.521 6.612 50 50 JKGA C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OCC)c1OCc1ccc(Cl)cc1 409193238 IBAQDHRXQPFBPK-MUFRIFMGSA-N 483.395 6.464 50 50 JKGA O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 4282431 RHSFKAIRLGLNNP-AJBULDERSA-N 458.517 5.905 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1ccc(Cl)cc1 13239718 SPHQSNKDFBNCBZ-LGJNPRDNSA-N 469.397 5.634 50 50 JKGA N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 20522983 IQBLWIHTVJVZLN-DEDYPNTBSA-N 473.363 6.451 50 50 JKGA CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(NC(=O)CCl)cc1 101017987 RCBCUXACICQRGD-UHFFFAOYSA-N 458.108 7.119 50 50 JKGA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)Oc1c(Br)cc([N+](=O)[O-])cc1Br 104242000 QTEQOYSZBSCMEM-UHFFFAOYSA-N 495.467 5.292 50 50 JKGA N#CC(C#N)=C(C1CC1)[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]12 239433139 XGMRBSIJVDWHQT-XFBWMNOSSA-N 467.572 6.433 50 50 JKGA CCOC(=O)N/N=C1/C=C2CC[C@@H]3[C@@H]4C[C@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 253503794 ZGBFIPQSPKDRKC-AVXMMMLVSA-N 454.655 6.427 50 50 JKGA biogenic,in-vitro Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1Cl 1875363356 WVGJWVUATVWPNX-KPKJPENVSA-N 499.707 6.705 50 50 JKGA CC1(C)C/C(=N/NC(=O)c2ccncc2)c2c(nc(C(F)(F)F)c3[nH]c4ccccc4c23)C1 100629287 YPTDXAVNNFJFJF-LJUMEUDFSA-N 451.452 5.236 50 50 JKGA CC(C)(C)[Si](C)(C)OC[C@H]1CCN(c2cnc(Cl)c(I)c2)C1 169794130 LHQXTKWGOAUMSV-LBPRGKRZSA-N 452.840 5.188 50 50 JKGA in-vitro CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)NC2=C1C(=O)CCC2 1244468 AUQIHJJALOKFFV-XMMPIXPASA-N 494.016 5.540 50 50 JKGA Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C)cc1 2532209 STOUNEHPHHBIRY-AFUMVMLFSA-N 451.320 5.049 50 50 JKGA CCOc1ccccc1C(=O)N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12 2532271 NDAXKNLLMHRLDX-STBIYBPSSA-N 472.928 5.875 50 50 JKGA COc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl 2553074 YFTGDGIMNACOKW-DHRITJCHSA-N 487.737 5.094 50 50 JKGA O=C(Cc1cccc2ccccc12)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 4347431 SPFJGLHCHAIRKU-MUFRIFMGSA-N 477.347 6.059 50 50 JKGA CCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OCC)c1 102283870 ATCZLAIKHNFOTQ-OGLMXYFKSA-N 493.431 6.812 50 50 JKGA CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccccc3)C3=C2CCCC3=O)sc2c1CCCCC2 714789 VTPLQIOBIDFPHK-HSZRJFAPSA-N 487.625 5.498 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)OCc2ccccc2)N1 856104 LDICDROOMMKUES-RUZDIDTESA-N 485.565 5.091 50 50 JKGA CCc1ccc(C(=O)CSC2=C(C#N)[C@H](c3cccc([N+](=O)[O-])c3)C(C(C)=O)=C(C)N2)cc1 1199154 QJKPUYMLDPZTFC-DEOSSOPVSA-N 461.543 5.058 50 50 JKGA Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)s1 2334536 QNPDKPSGGGRNHS-ZMOGYAJESA-N 468.007 5.200 50 50 JKGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 4287098 HXPMRHGLAYBBFA-ZKJHFGPLSA-N 491.758 5.784 50 50 JKGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OCc1ccccc1 4366238 UBHOJGPVAMFWBA-FKBXNUFCSA-N 480.564 5.859 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)[nH]n2)cc1 102302561 PHXKGTOULPYVIG-OGLMXYFKSA-N 487.431 6.887 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(N)=C(C#N)[C@H]2c1ccsc1 3666910 WSWMGFYTLDHSBU-OAQYLSRUSA-N 460.628 5.501 50 50 JKGA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4229812 VKTPZIVRSKMAOE-DGZOAMNXSA-N 483.351 5.530 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(OC)cc1 4287004 GHEMJDFFKSVEHB-RDRPBHBLSA-N 468.509 5.230 50 50 JKGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 25559669 GFLIENZIGKKKOC-UVHMKAGCSA-N 454.744 6.626 50 50 JKGA Cc1cc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3[N+](=O)[O-])C3=C2C(=O)CCC3)c(C)s1 27550425 NCUWCGGRVODXAL-FQEVSTJZSA-N 454.939 5.231 50 50 JKGA CCCCC[C@@H](/C=C/[C@H]1[C@H](OC(=O)c2ccccc2)C[C@@H]2OC(=O)C[C@@H]21)O[Si](C)(C)C(C)(C)C 169982795 HCFDVFAZKOSMJZ-FRVOEXHGSA-N 486.725 6.691 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2585004 FWFADVCLVPUKIK-VULFUBBASA-N 457.313 5.375 50 50 JKGA N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 16361812 HFBOAFFWGWYRHH-GZTJUZNOSA-N 467.462 6.149 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(N(C)C)cc3)[nH]n2)cc1 102302554 DAUMEAGEHMGWCA-VFCFBJKWSA-N 461.610 5.646 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]4[C@@]34C=C[C@]2(C1)OO4 257347446 IDGDXRNODLQSAB-XWBRNESSSA-N 468.678 6.965 50 50 JKGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(Cl)cc1 660206 XARNDBXZMMKBLZ-QHCPKHFHSA-N 464.949 5.378 50 50 JKGA CCc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)C(C(C)=O)=C(C)N2)cc1 1199368 JOUUEDXXTJDLAO-XMMPIXPASA-N 450.991 5.803 50 50 JKGA Cc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2571705 IAVLLSMIALCOEU-LGJNPRDNSA-N 457.313 5.050 50 50 JKGA CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NNC(=O)c1csc(C)c1CC 2855710 GMFJHZRQJKKFRV-UHFFFAOYSA-N 487.672 5.079 50 50 JKGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 5297348 ZRJBTPVQHABHGE-MZJWZYIUSA-N 465.340 5.726 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 16676324 QCDWTDBBQGOAGZ-QFIPXVFZSA-N 467.934 5.149 50 50 JKGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccc(F)cc1 20175975 VSPYFWLDCJNVSZ-XMMPIXPASA-N 482.515 5.412 50 50 JKGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)ccc1OCc1ccccc1F 20368446 MWCVFGRKLYZEAQ-XMMPIXPASA-N 482.515 5.330 50 50 JKGA N#C/C(=C\c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)C(=O)Nc1sccc1C#N 20479759 UXWAUAHJSPGWOA-LFYBBSHMSA-N 478.744 6.298 50 50 JKGA C[C@H](NC(=O)/C(C#N)=C/c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1ccccc1 20551281 KJCKRSUBGNLGDM-OMNSNBSWSA-N 473.498 6.493 50 50 JKGA Cc1ccccc1[C@H]1C(C=NNC(=O)c2ccc([N+](=O)[O-])o2)=C(c2ccccc2)Oc2ccccc21 252679549 OBEBQXKELCDIAN-AREMUKBSSA-N 479.492 5.848 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C)o2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1 1229148 IABPTTBXJGPABY-VWLOTQADSA-N 484.581 5.295 50 50 JKGA CN(Cc1ccccc1Cl)N1C(=O)[C@@](CCBr)(c2ccccc2)c2ccccc21 71767323 HYRBVKDSYLIFAM-DEOSSOPVSA-N 469.810 5.805 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC([N+](=O)[O-])=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@]12C 254744429 AARKHEFUGCKAGW-CGJDUIJVSA-N 450.107 8.240 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)c2ccc(C)cc2)N1 841819 JWUVQZZNIWFANN-VWLOTQADSA-N 485.634 6.007 50 50 JKGA CCCCOc1ccc(Br)cc1/C=N/NC(=O)c1cc(Br)ccc1OCC 2506300 AGPUYNUJBNYBTF-YDZHTSKRSA-N 498.215 5.553 50 50 JKGA O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)N/N=C/c1cccc(O)c1 2905588 YSUOYJUUDMSIKP-NJZRLIGZSA-N 459.549 6.221 50 50 JKGA CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CCC3)s1 3666907 UGFFRFAFEGBPBS-QHCPKHFHSA-N 488.682 6.162 50 50 JKGA Cc1ccc2nc(/C(C#N)=C/c3cn(Cc4ccc(Cl)cc4Cl)nc3-c3ccccc3)[nH]c2c1 8853396 DLEWNEFXUQNUJL-UDWIEESQSA-N 484.390 7.154 50 50 JKGA COc1ccccc1NC(=O)C1=C(C)NC(SCc2ccccc2)=C(C#N)[C@H]1c1ccco1 8892332 VHIHZKHLMOXUMS-DEOSSOPVSA-N 457.555 5.556 50 50 JKGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1F 16293632 CFDAAAWDIYACJH-QGOAFFKASA-N 463.472 5.400 50 50 JKGA CCCCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Sc1nc2ccccc2s1 20562673 MMRPNCPVIGKLIU-JMKVTYIUSA-N 492.464 5.869 50 50 JKGA CSc1ncn(-c2ccc(C)cc2)c(=N)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100733134 RVMLCOJGGKNKLW-UHFFFAOYSA-N 492.608 5.001 50 50 JKGA COc1cccc([C@@H]2C(C#N)=C(N)N(c3cccc(Br)c3)C3=C2C(=O)CC(C)(C)C3)c1 667615 LLWWXSNFDMRUMZ-JOCHJYFZSA-N 478.390 5.399 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)cc2OCC)cc1 2552574 VDRCAPOJBLXKCS-AJBULDERSA-N 496.563 5.549 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1 2553171 MCJLXANSXWVMBA-VULFUBBASA-N 487.781 5.844 50 50 JKGA Cc1ccc(/C=N/c2ccc(SSc3ccc(/N=C/c4ccc(C)cc4)cc3)cc2)cc1 18037171 IAVXUWCIWAEICM-CZYCKNNWSA-N 452.648 8.604 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 2531432 DXAQZXQURLZWTH-WMMCOQJOSA-N 486.955 5.938 50 50 JKGA O=C(N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1)c1cccc([N+](=O)[O-])c1 4210284 QDFXOAAKONFSCC-DHRITJCHSA-N 479.901 5.446 50 50 JKGA COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OCc4ccccc4F)cc2)C(C#N)=C(N)O3)cc1 8567400 FCVVNEMJBLYQHU-HSZRJFAPSA-N 468.488 5.022 50 50 JKGA O=C(N/N=C\c1ccc(-c2cccc(Br)c2)o1)[C@@H]1COc2cc3ccccc3cc2O1 16677606 KNNXITWNKWMMNZ-WTQOLCSMSA-N 477.314 5.152 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OCCC)cc2)cc1 102292575 YPJLBXYGGJQZQJ-JJKYIXSRSA-N 480.649 7.066 50 50 JKGA NNC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1 1228924 KIURPMLBZIENJI-UHFFFAOYSA-N 454.526 5.027 50 50 JKGA CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2ccccc2Cl)C2=C1C(=O)CCC2 2520942 HHJSPEDKSOQALS-OAQYLSRUSA-N 470.063 6.381 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(Cl)cc2)cc1 2531745 GAAQMNIQHMQQCH-STBIYBPSSA-N 472.928 5.875 50 50 JKGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1Cl 4327207 VSCYWLFZPPDVCR-PJAVDKHJSA-N 487.339 5.139 50 50 JKGA CC[C@@H](C(=O)c1ccccc1)/C(CCCC(=O)Nc1ccc(Cl)cc1C)=N/NC(=O)CC#N 102308816 LGVBOCWNLHSZQF-KSHBMVRASA-N 466.969 5.052 50 50 JKGA C[C@H]1C(C#N)=C(SCCn2c(C(C)(C)C)nc3ccccc3c2=O)NC2=C1C(=O)CC(C)(C)C2 108298473 NPQORSFEDOJWMW-INIZCTEOSA-N 476.646 5.045 50 50 JKGA O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cccc(F)c3N[C@H]2c2ccc(F)cc2)[C@@H]1Cl 239425948 VMVWNRGZUWPWQV-KXWVNSKHSA-N 472.944 6.912 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)/C=C/[C@@H](C)C(C)C)CC[C@H]4[C@@]34C=C[C@]2(C1)OO4 257347445 IDGDXRNODLQSAB-NOBMVRDKSA-N 468.678 6.965 50 50 JKGA COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C(C)C)cc3)C3=C(CCCC3=O)N2)cc1 1113125 BKROZZZUGNSFJD-AREMUKBSSA-N 487.625 5.620 50 50 JKGA O=C(COc1cccc(Cl)c1)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12 2543152 LUAYJBSUMJIILW-WKULSOCRSA-N 493.346 5.895 50 50 JKGA CCOc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(=O)c1ccccc1 2565231 SFEYUSFHLSOKLJ-STBIYBPSSA-N 474.557 5.265 50 50 JKGA CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C1C(=O)CCC2 2891842 SKCRTOZALPAAFT-FQEVSTJZSA-N 466.588 5.300 50 50 JKGA CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C1C(=O)CCC2 2891885 UAPLUCICYTWBLK-IBGZPJMESA-N 476.454 6.472 50 50 JKGA C=CCc1cccc(/C=N/NC(=O)[C@H](CC)Oc2ccc3ccccc3c2Br)c1O 2903329 VHDNAJPUUUZOSA-WNFNFYEPSA-N 467.363 5.344 50 50 JKGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1ccccc1OCc1ccccc1 4229826 AXWWJAGAANQDRO-CCVNUDIWSA-N 477.973 5.014 50 50 JKGA CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CC(C)(C)C2 9981672 DBCBMPBPJLPINJ-OAQYLSRUSA-N 464.660 5.758 50 50 JKGA COc1ccc2c(Cl)c(C(=O)Oc3ccc(/C=N/NC(=O)c4cccc(C)c4)cc3)sc2c1 19800615 MSEPLFSECCQVQH-MZJWZYIUSA-N 478.957 5.855 50 50 JKGA N#CC(=C\c1ccc(COc2ccc(C#N)cc2)o1)/C(O)=N/c1nc(-c2ccccc2)cs1 20530457 URKJXSFFHNTIBS-XDHOZWIPSA-N 452.495 6.049 50 50 JKGA O=C(N/N=C\c1cc(Cl)cc(Cl)c1O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 23115542 MSEOGHYOSZHLQL-VYYCAZPPSA-N 463.324 5.587 50 50 JKGA C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)cc1 16736358 KAKQYXIOTDTULE-FXBPSFAMSA-N 471.520 5.817 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](OC(=O)CCl)[C@]45C[C@H]4CC[C@]5(C)[C@@H]3CC[C@]12C 257348905 JYFIEJVIHNYZAE-QZHINXAGSA-N 463.146 7.868 50 50 JKGA Cc1cc(C(F)(F)F)nc(SCc2ccc(C(=O)N/N=C/c3ccc(C(C)C)cc3)o2)n1 656138 BWBGVEPIEOJONY-KBKYJPHKSA-N 462.497 5.576 50 50 JKGA CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)NC2=C1C(=O)CCC2 2351697 FZTQRLASILLPEZ-AREMUKBSSA-N 487.625 5.503 50 50 JKGA CC1(C)OC[C@](O)(/C=C/[C@@]23CC[C@@H](CC2=O)C3(C)C)[C@H](CCO[Si](C)(C)C(C)(C)C)O1 216533826 VZXGFBWDZCKUQR-FWDBSDQJSA-N 452.708 5.233 50 50 JKGA CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@@H]4Br)cc2)cc1 239439221 ZPOPXAWDGVHMBH-ILHTXMRTSA-N 484.390 5.286 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(F)cc2)cc1 2542463 GEGVNKCJPVRUEX-JFLMPSFJSA-N 499.336 5.360 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)Cc2cccc3ccccc23)c1 4292937 DZBIZQKZWAYECQ-UZWMFBFFSA-N 472.544 6.213 50 50 JKGA Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2O)c(C)c1 6796027 MSGPRSWVHYGSLB-MLPAPPSSSA-N 450.130 5.080 50 50 JKGA CC(/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)=C\c1ccccc1 13940360 IMNPQHZHBNSKRO-SILQRRHJSA-N 488.016 5.885 50 50 JKGA N#C/C(=C\c1ccccc1I)c1nc(-c2ccc3c(c2)OCO3)cs1 16671838 WKUQDQNEHZIQBL-VGOFMYFVSA-N 458.280 5.208 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)c(C)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1 1198970 XUVVTCPQMADAFY-XMMPIXPASA-N 450.991 5.858 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccccc2C)cc1 2531865 GYOUWHDVDJCGDK-UXHLAJHPSA-N 482.536 5.295 50 50 JKGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1cccc2ccccc12 4355099 QJUSZKTYPBGSLX-LQKURTRISA-N 487.353 5.894 50 50 JKGA CCOc1c(Br)cc(/C=N/NC(=O)C(C)(C)Oc2ccc(Cl)c(C)c2)cc1OC 20175444 WEYGXOUINFJCSN-WYMPLXKRSA-N 483.790 5.126 50 50 JKGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccc(C)cc1 20367374 LRQVFVOXWXQVIX-XMMPIXPASA-N 464.525 5.191 50 50 JKGA Cc1ccccc1P(c1ccccc1C)[C@H](C)[C]1[CH][CH][CH][C]1P(c1ccco1)c1ccco1 103615116 QASRDTUONOJTNH-HSZRJFAPSA-N 469.481 6.176 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](Br)C[C@]4(C)[C@H]3CC[C@@]12C 257348807 IZWHBFBYKQEQAB-DGBFKPDUSA-N 467.576 7.842 50 50 JKGA CCc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccc(NC(C)=O)c3)c3ccccc3n2)cc1 659870 LKXNCTJVQIIPJD-FDAWAROLSA-N 450.542 5.577 50 50 JKGA CCOc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc23)cc1 2543021 AEFVIIYELPPAQJ-STBIYBPSSA-N 472.928 5.875 50 50 JKGA CCc1ccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 2543324 TYBUFHFTSKPOMR-UXHLAJHPSA-N 479.536 5.019 50 50 JKGA C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 4259915 GKVKPDLFYIQBOS-MAZFOTSLSA-N 488.543 6.130 50 50 JKGA N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 8455958 HCZYBRQCTZQMDF-FQRUVTKNSA-N 462.509 5.293 50 50 JKGA CCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1 13239658 JQTHSMUMJTXPRP-JFLMPSFJSA-N 479.005 5.379 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@@H]4[C@@]34CC[C@]2(C1)OO4 257347809 VGXFJJGBIOGXFM-BJUKRSBKSA-N 472.710 7.413 50 50 JKGA Cc1ccc(C(=O)N(NC(=O)[C@@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)C(C)(C)C)cc1 263639875 MSBDMBBBHRAGPA-SFHVURJKSA-N 482.934 5.003 50 50 JKGA CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)CCl)[C@@H]3c2ccc(N(C)C)cc2)cc1 1875389757 SRRBJGATPDYNQA-VLSXBJNMSA-N 451.014 5.180 50 50 JKGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/C(Cl)=C/c1ccccc1 1837117 OLIRZVIYIFWBKA-WRRPUPGBSA-N 473.989 5.408 50 50 JKGA CCN(CC)c1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)cc1 2187637 YUONJUGBEFWZPQ-DEOSSOPVSA-N 491.433 5.600 50 50 JKGA CC(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 2334848 QMSGZHOCSNAGQR-LQKURTRISA-N 490.032 5.954 50 50 JKGA O=C(COc1ccc(Cl)cc1)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12 2543196 WETPDABSBWSOGX-WKULSOCRSA-N 493.346 5.895 50 50 JKGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1cccc(C(F)(F)F)c1 2774710 DOODYHJAUCHUQK-JOCHJYFZSA-N 470.447 5.108 50 50 JKGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1sc2cc(OC)ccc2c1Cl 19879012 YLOTVDOYGFANEH-FOKLQQMPSA-N 479.783 5.655 50 50 JKGA O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1)c1cccc(Cl)c1 4210137 ZULQBXSPLIOCLJ-ZMOGYAJESA-N 457.711 5.086 50 50 JKGA COc1cccc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)c1OCc1ccc(Cl)cc1Cl 8407139 PYASMJZPPVZLFL-WOJGMQOQSA-N 464.352 6.830 50 50 JKGA Cc1ccc(N2C3=C(C(=O)CC(C)(C)C3)[C@@H](c3cccc(F)c3)C(C#N)=C2n2cccc2)c([N+](=O)[O-])c1 12447354 SSKMSVJSYGYVKD-SANMLTNESA-N 496.542 6.483 50 50 JKGA CSc1ccccc1CN(C)N1C(=O)[C@@](CCBr)(c2ccccc2)c2ccccc21 71767419 CGAMSASYQBSUJV-VWLOTQADSA-N 481.459 5.873 50 50 JKGA CCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 102316076 OYVXAZCHPGEDLW-BYNJWEBRSA-N 450.623 7.057 50 50 JKGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccccc1OCc1ccccc1 102316634 ZYXSVXGWQORQBK-AWSUPERCSA-N 493.692 6.533 50 50 JKGA COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OC(=O)c1ccccc1Cl 2570277 IKTZOTBKBRRSMO-STBIYBPSSA-N 472.928 5.414 50 50 JKGA CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 100059061 VTUXNRKFFGSUAE-DEOSSOPVSA-N 492.528 5.215 50 50 JKGA in-vitro C1=C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)Oc2ccccc2[C@H]1c1ccccc1 100720658 JNQUNWZYRWAHFS-WJOKGBTCSA-N 469.544 7.046 50 50 JKGA O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1ccc(F)cc1)N2 229976378 SIPUAVBPFFADQX-ASDZUOGYSA-N 498.963 6.471 50 50 JKGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2cccs2)nc2ccccc12 695941 YANZTRCEKDTZDE-JVWAILMASA-N 451.555 5.530 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)c(Cl)c1)C(n1cccc1)=C(C#N)[C@@H]2c1cccs1 12402299 UHIZZOSSHWMFHT-HSZRJFAPSA-N 477.992 6.981 50 50 JKGA O=C(N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2cccc3ccccc23)cc1)c1ccncc1 16675760 KFOBGESELLTWPC-WTAXBKJTSA-N 495.586 6.354 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@H]4[C@@]34CC[C@]2(C1)OO4 257349361 NQOHVZFOGSDCDQ-NJLFBIDRSA-N 474.726 7.492 50 50 JKGA COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Cl 409375537 MGWLYPBJBJALEO-LDADJPATSA-N 463.877 5.338 50 50 JKGA CCCc1n[nH]c2c1[C@@H](c1cccc(OCc3c(Cl)cccc3Cl)c1)C(C#N)=C(N)O2 622984 FFSCDFFCXGSEHT-FQEVSTJZSA-N 455.345 5.466 50 50 JKGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccccc1 1857394 CNJGAJSEIDQQAF-VULFUBBASA-N 482.396 5.484 50 50 JKGA C/C(=N/NC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2ccc(Br)o2)c1 8453815 SCXSGKZJDVTYSX-DICXZTSXSA-N 482.378 5.746 50 50 JKGA N#CC1=C(n2cccc2)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@@H]1c1cccc(F)c1 12360558 FVSDXSVWGZHBGP-XMMPIXPASA-N 477.461 6.649 50 50 JKGA Cc1ccc([C@@H]2C(C#N)=C(n3cccc3)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)s1 1432928 JNPBANCINSWYQW-QHCPKHFHSA-N 479.527 6.880 50 50 JKGA Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)cc1 2543902 JXJSTXCQUQJEPW-DHRITJCHSA-N 471.738 5.394 50 50 JKGA COc1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2)cc1COc1cccc2cccnc12 13322130 ZILMGHXTKJMZSS-KCSSXMTESA-N 491.547 5.505 50 50 JKGA CC(C)(C)OC(=O)N(CCN)C(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C 261507668 KXPNWJJZCGUNSX-UHFFFAOYSA-N 462.824 5.594 50 50 JKGA COC(=O)c1cc(Br)cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1 725326525 PZNFWSUCBCIJNP-UHFFFAOYSA-N 483.478 5.312 50 50 JKGA CCOc1ccc(C2=C(/C=N/NC(=O)c3ccncc3)[C@H](c3ccccc3)c3ccccc3O2)cc1 2278260 NSVBXTYEBOXCGQ-KWAQJPELSA-N 475.548 5.832 50 50 JKGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2520041 BTAVECNFRHNTNC-LQCVWJHPSA-N 498.966 6.144 50 50 JKGA N#C/C(=C\Nc1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2906469 ZGMMKEGTLKHBCO-PKNBQFBNSA-N 451.176 6.856 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4Cl)cc3)n[nH]2)ccc1O 13618348 OOMFFWUSPKHTMN-RWPZCVJISA-N 490.947 5.177 50 50 JKGA Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c1 19800644 VDMREILWUPNBLC-RWPZCVJISA-N 499.368 6.120 50 50 JKGA CCCCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 100366855 FJXKDRQIHLPHJW-OQKWZONESA-N 495.486 8.376 50 50 JKGA CC(C)OC1=C(OC(C)C)[C@]2(O)[C@@H]3CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3[C@H]3CCC[C@]32C1=O 169834802 BSEGXXLCKDYGMT-OZRPEVAVSA-N 478.746 5.969 50 50 JKGA CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCCl)CC[C@]4(C)[C@@H]3CC[C@]12C 1772491747 GDOXPOQXTZCSGF-CNJXMZKASA-N 491.200 9.247 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 2188850 VLXQPYRAOFZMQA-HSZRJFAPSA-N 499.596 5.348 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1c(F)cccc1F)C(N)=C(C#N)[C@@H]2c1ccc(C(C)(C)C)s1 2192347 YDFCIHFQOGOXOZ-OAQYLSRUSA-N 467.585 6.265 50 50 JKGA COc1cc(Cl)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc3ccccc3c2)c1OC 2850491 KDYWCIOPWHABBR-QHCPKHFHSA-N 472.932 5.223 50 50 JKGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 4210592 MLOKWEUZMIWYLG-STBIYBPSSA-N 457.961 6.090 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccc(F)cc1 4527568 LUTQFDWCLGEOSA-OVVQPSECSA-N 459.550 5.014 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccc(OCc2cccc(Cl)c2)cc1 20437314 WCBBRMFNLQDEKV-QFIPXVFZSA-N 489.362 6.181 50 50 JKGA CC1(C)[C@H]2CC[C@]13[C@H](C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]1(C)[C@@H](O)C2)C(=O)[C@@H]3Cl 216510592 WCMMBNGYLSPLMX-UTDDNRIQSA-N 469.182 6.567 50 50 JKGA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1C 1172048 BWJATXWCHCKBCQ-KOEQRZSOSA-N 469.566 5.585 50 50 JKGA aggregator CC(C)(C)c1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc(C(C)(C)C)c1O 1231689 VLUMNMRIKIVFRT-HXUWFJFHSA-N 456.542 5.128 50 50 JKGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3cccc(Cl)c3Cl)nc3ccccc32)cc1 13205611 NDROOVXWGLQGSV-UVHMKAGCSA-N 483.424 5.942 50 50 JKGA COc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1OC 2531337 PTCRCSPKXGZXKP-STBIYBPSSA-N 468.509 5.149 50 50 JKGA COc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc23)cc1 2542437 PHKJNMLAAMTLTL-LQKURTRISA-N 458.901 5.485 50 50 JKGA O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 4259971 VSHOIBURRAJCRT-LQKURTRISA-N 458.901 5.242 50 50 JKGA Cc1cc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3[N+](=O)[O-])C3=C2C(=O)CCC3)c(C)s1 27550421 NCUWCGGRVODXAL-HXUWFJFHSA-N 454.939 5.231 50 50 JKGA CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2ccccc2Cl)C2=C1C(=O)CC(C)(C)C2 9981910 FVLBYBFIWOZAAH-FQEVSTJZSA-N 470.063 6.454 50 50 JKGA CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2ccccc2Cl)C2=C1C(=O)CCC2 5950083 HHJSPEDKSOQALS-NRFANRHFSA-N 470.063 6.381 50 50 JKGA Cc1ccc2cc(/C=C(\C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)c(Cl)nc2c1 8400181 FRNPQTQBSLDSKS-LZYBPNLTSA-N 456.785 7.691 50 50 JKGA CCCc1cc(C(=O)N/N=C(\C)c2ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc2)cs1 20568905 JKVJEQYSDKTKDO-VPUKRXIYSA-N 497.436 5.626 50 50 JKGA CSc1sc(-c2ccc(C)cc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100734394 IJQOKLTXSWDRBV-UHFFFAOYSA-N 482.634 6.460 50 50 JKGA O=C1c2ccccc2[C@H](c2c(-c3ccc(Cl)cc3Cl)[nH]c3ccccc23)N1CCCl 334163395 QXBFMZLVNXXJTM-HSZRJFAPSA-N 455.772 6.926 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl 2553194 AGJAGAXOOJFRCU-RPPGKUMJSA-N 477.731 5.639 50 50 JKGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 4210376 QSFLMDFXHWVHJF-NDZAJKAJSA-N 459.553 5.711 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc4ccccc4c3)cc2)cc1 4261359 WYBBEVUASSQUCJ-NDZAJKAJSA-N 482.536 5.377 50 50 JKGA CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 4335737 GIMPMZAMFAJJIK-VSWHYLHOSA-N 497.935 5.144 50 50 JKGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccccc1 4366224 SSDGLKAMLQRBHH-KCUTWZHFSA-N 494.547 5.499 50 50 JKGA CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1F 12393036 QLWYQRIESGTILV-GRSHGNNSSA-N 452.869 6.429 50 50 JKGA CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc(F)cc1 16448104 XBXIQFYKQFXOET-JAIQZWGSSA-N 451.881 6.219 50 50 JKGA COc1cc(/C(C)=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)ccc1O 54382121 JTHKMFGQRIMNGP-LQKURTRISA-N 495.004 5.085 50 50 JKGA CCOC(=O)c1c(NC(=S)NNC(=O)c2ccc(-n3cccc3)cc2)sc2c1CCCCCC2 2856682 LYSBSXLOLYCMCM-UHFFFAOYSA-N 496.658 5.006 50 50 JKGA CCN(CC)c1ccc(/C=N/NC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)cc1 2916855 YEZWKVTWAFHDED-QYRKQINYSA-N 466.585 5.010 50 50 JKGA c1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(-c3ccccc3)o2)cc1 100900303 AMLYTDUVWFXGIY-UHFFFAOYSA-N 482.543 6.628 50 50 JKGA CCCCN(CC)C[C@@H](/C(C)=N/NC(=O)OC)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 102308369 NFSLTZOYMBCKMZ-MLKLEJLESA-N 493.604 5.101 50 50 JKGA COC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C2CCCC3=O)sc2c1CCCC2 714750 WBDNSKNWWKAWIA-OAQYLSRUSA-N 494.016 5.372 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCCC3)C(N)=C(C#N)[C@@H]2c1ccc(F)cc1 2188865 XRIVHSHBGSNELZ-DEOSSOPVSA-N 486.616 5.969 50 50 JKGA O=C(N/N=C/c1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccccc1Cl 2553377 VWOQUHFMOXDIFM-IPPBACCNSA-N 497.765 6.783 50 50 JKGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(C)cc(COc2ccc(Cl)cc2C)c1C 2743671 HCGAEPPTZVMXKQ-DEOSSOPVSA-N 466.965 5.489 50 50 JKGA N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 2855972 WYEUCAFNPNQREJ-FYJGNVAPSA-N 488.790 6.020 50 50 JKGA C/C(=N\NC(=O)c1csc2c1CCCC2)c1cccc(NC(=O)c2ccc(Cl)s2)c1 8456116 FYUFCHVBRQHLHP-DHRITJCHSA-N 458.008 5.748 50 50 JKGA CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C\c2ccc(COc3ccc(OC)cc3)o2)s1 20572877 LVGPUGYQCUBQQG-VBKFSLOCSA-N 480.542 5.213 50 50 JKGA C(\Cc1ccccc1)=C(/O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 169816710 MJUQVULYBPRGTI-MUGXBBEHSA-N 468.672 5.954 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]4[C@@]34C=C[C@]2(C1)OO4 257356455 IDGDXRNODLQSAB-JDKJPGICSA-N 468.678 6.965 50 50 JKGA C=CCOc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)ccc1OCCC 2506337 BTRQDZPQHUOGSO-YDZHTSKRSA-N 496.199 5.329 50 50 JKGA C=CCOc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1 2544024 RWNYBPZVTOCRPY-JFLMPSFJSA-N 469.324 5.541 50 50 JKGA N#C/C(=C\c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)c1nc2ccccc2[nH]1 4418858 CXKBXCNCIVQMQQ-XNTDXEJSSA-N 450.376 6.346 50 50 JKGA CCOc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)cc1 5296764 GEXKOLZTPBCNBK-TURZUDJPSA-N 454.530 5.208 50 50 JKGA COc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3sc4cc(OC)ccc4c3Cl)cc2)c1 19833545 ACEITZQNWNJNIP-MZJWZYIUSA-N 494.956 5.555 50 50 JKGA C/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2cccc(F)c2)c1 20568790 WQTXVJPUASVZAC-JOTRATHXSA-N 471.576 6.019 50 50 JKGA CCCCCCCCC(=O)N/N=C\c1ccccc1OC(=O)c1sc2ccccc2c1Cl 102309355 USBQTCPVCCJLQQ-PKAZHMFMSA-N 471.022 6.975 50 50 JKGA CC(C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2297728 ZWVWKNXGGNLRMM-CCVNUDIWSA-N 485.367 5.865 50 50 JKGA CCOc1cc(C=C(C#N)C#N)cc(Br)c1OCc1ccc(Cl)cc1Cl 2748161 IZXUIRIJZVMBLU-UHFFFAOYSA-N 452.135 6.164 50 50 JKGA O=C(N/N=C/c1ccc(Sc2cccc3cccnc23)o1)c1cccc(Br)c1 2870133 WQBSBCRSXYGLSJ-ZMOGYAJESA-N 452.333 5.505 50 50 JKGA N#C/C(=C\Nc1ccc([N+](=O)[O-])cc1Br)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 22023105 NTOZACLRADTBBY-DHZHZOJOSA-N 496.173 6.764 50 50 JKGA O=P(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1-c1c(O)ccc2ccccc12 100700904 RPIVSEHFVUVNQN-UHFFFAOYSA-N 470.508 7.005 50 50 JKGA CCc1ccc([C@H]2C(C#N)=C(SCC(=O)c3cccc(Cl)c3)NC(C)=C2C(C)=O)cc1 1199007 PDHQNRZNPAUWIZ-DEOSSOPVSA-N 450.991 5.803 50 50 JKGA COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)[nH]c2c(OC)c1OC 1860767 NRHDGIYFJJUFKN-CQSZACIVSA-N 466.921 5.035 50 50 JKGA CC(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4Cl)cc3)n[nH]2)cc1 9375309 JWQYTBYJBLJZIL-MUFRIFMGSA-N 472.976 6.196 50 50 JKGA Cc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1CSc1nc2ccccc2s1 12372412 GRCALWWDQVEDAU-HXUWFJFHSA-N 465.625 5.773 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])s1 12402337 PWCMJANLCZIPQQ-IBGZPJMESA-N 454.939 5.251 50 50 JKGA COc1ccc(/C=C2/CCCC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1OC 19841697 BVCLYSPLOMWMFS-RBGRDOKPSA-N 460.530 5.050 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@@H]2c1cc(Br)cs1 1435826 OTAPSMKMVLKGQP-LJQANCHMSA-N 499.390 5.360 50 50 JKGA Cc1cccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)c1 4347453 FGJLGTGBHBPIOI-LGJNPRDNSA-N 457.313 5.050 50 50 JKGA CC1(C)CC(=O)C2=C(C1)NC(SCc1cc3c(cc1Cl)OCO3)=C(C#N)[C@H]2c1cccs1 9553458 MIIGYPWBZCIOEA-NRFANRHFSA-N 485.030 6.129 50 50 JKGA COc1ccc(-c2csc(/C(C#N)=C/c3ccc(I)cc3)n2)cc1OC 16671810 QQEPUGCRGXTGMV-OQLLNIDSSA-N 474.323 5.496 50 50 JKGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 43190596 VXHQUGQEKCXYLU-RPPGKUMJSA-N 477.731 5.395 50 50 JKGA COc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1OCc1ccccc1 101013101 MZWLERDCMGTHIT-UHFFFAOYSA-N 489.575 6.768 50 50 JKGA C[C@@H]1O[C@](O)(C2(O)CCCC2)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 169833955 BRLLIOUHXZGGPA-XWQURZDVSA-N 460.804 5.570 50 50 JKGA CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc5ncccc5c4)ccc32)cc1 1775976846 QPJKSPMZSXCSKV-RUZDIDTESA-N 465.534 5.394 50 50 JKGA Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 841911 APDFHICNEGDZPU-SFHVURJKSA-N 476.161 5.468 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccc(Br)c1 2584986 HPXPTUKLAWEJHC-BRJLIKDPSA-N 492.156 5.739 50 50 JKGA O=C(N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1)c1ccc2c(c1)OCO2 4229639 IBQWVLDHJPUHAJ-RPPGKUMJSA-N 478.913 5.267 50 50 JKGA COc1ccc2c(Cl)c(C(=O)Oc3ccc(/C=N/NC(=O)c4ccc(C)cc4)cc3)sc2c1 19800641 ODRGMRSRZBNTRK-MZJWZYIUSA-N 478.957 5.855 50 50 JKGA COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c1OCc1ccc(F)cc1 20274625 SRRFMSMVYBXRDN-QGOAFFKASA-N 470.422 5.978 50 50 JKGA CCCOc1ccc(C(=O)N/N=C/c2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 2531491 JHRADNVJCBENCF-NDZAJKAJSA-N 466.537 5.920 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(n1cccc1)=C(C#N)[C@@]21C(=O)Nc2ccccc21 12402281 PWMYIBCCMKVXQF-GDLZYMKVSA-N 494.982 5.887 50 50 JKGA Cc1ccc(C2=NN(c3ccc(/C=N/NC(=O)c4ccncc4)cc3)[C@H](c3ccc(Cl)cc3)C2)cc1 16675849 XNLWPDXSNDIEQD-SDKVIJGTSA-N 493.998 6.163 50 50 JKGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1ccc(OCc2ccccc2)cc1 2521667 XSACUHWLTFGKIT-UXHLAJHPSA-N 484.939 5.902 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2cc(C)ccc2C(C)C)c1 2531560 DCOHEOMQTDMBBO-KCSSXMTESA-N 494.591 6.328 50 50 JKGA O=C(Oc1ccc(Br)cc1/C=N/NC(=O)c1cccc2ccccc12)c1ccccc1 2552833 BWIOKXNJDTZZEA-JVWAILMASA-N 473.326 5.585 50 50 JKGA N#CC1=C(S)N[C@](O)(c2ccccc2)[C@@H]([n+]2cccc3cc(Cl)ccc32)[C@@H]1c1ccc(F)cc1 3087741 SURHRMXIRQVTFB-OBDYRVMHSA-O 488.995 5.358 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)c(Cl)c1)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])s1 12402297 PXLJEHRMTNHMFR-LJQANCHMSA-N 472.929 5.390 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 102267695 NNWHBGGNSDLQOG-NLRVBDNBSA-N 473.411 6.259 50 50 JKGA COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)ccc1OCc1ccc(Br)cc1 227000478 HKLUFKGORBVYLG-ONYJQQODSA-N 471.395 5.313 50 50 JKGA N#CC1=C(SCC(=O)N(c2ccccc2)c2ccccc2)NC(=O)C[C@H]1c1cccc([N+](=O)[O-])c1 1142944 PVWLGZZLYVPHLT-QFIPXVFZSA-N 484.537 5.032 50 50 JKGA O=C(Oc1ccc2ccccc2c1/C=N/NC(=O)c1cc2ccccc2cc1O)c1ccc(Cl)cc1 2530425 QACMKUIZISYPTB-KBVAKVRCSA-N 494.934 6.335 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2584674 BDOKRCNQBSAQBW-LGJNPRDNSA-N 457.313 5.294 50 50 JKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(Cl)c(Cl)c1 102314058 HUTIJDJTPMBERN-SGWCAAJKSA-N 455.514 8.705 50 50 JKGA CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC(=O)OC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 257348399 FGIQVZRHSAAMRL-ADGLXWGESA-N 456.711 7.424 50 50 JKGA O=C1c2ccccc2[C@H](c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)N1CCCCl 334163446 SJHUCCZKVNUELZ-MUUNZHRXSA-N 450.969 7.162 50 50 JKGA O=C(Oc1cccc(/C=N/NC(=O)c2ccccc2Br)c1)c1ccc(Cl)cc1Cl 2544319 PXXITBUVGQBZQI-BRJLIKDPSA-N 492.156 5.739 50 50 JKGA COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OC(=O)/C=C/c1ccccc1 2553555 VTPFYPWXIXAYMP-BDADAALASA-N 450.494 5.231 50 50 JKGA O=C(Cc1ccccc1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 4261108 XTZRTSUMLQHEFU-RUMWWMSVSA-N 486.575 5.811 50 50 JKGA CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C1C(=O)CC(C)(C)C2 5949771 WSGUAFDMEDIYLU-FQEVSTJZSA-N 480.615 5.709 50 50 JKGA COC(=O)c1cc(Br)ccc1-c1ccc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)o1 9763464 MGTHGCDLHPVFLW-GXDHUFHOSA-N 462.303 5.745 50 50 JKGA C/C(=N/NC(=O)c1ccc(Br)s1)c1cccc(NC(=O)c2cccc(F)c2)c1 20572685 ILRASSJIXVKZTH-MSXFZWOLSA-N 460.328 5.056 50 50 JKGA COc1ccc([C@H]2C(C#N)=C(SCC(=O)c3ccccc3)NC(C)=C2C(=O)Nc2ccccc2)cc1 995820 AUCWVUNPSZTTHL-MHZLTWQESA-N 495.604 5.646 50 50 JKGA N#CC1=C(N)N(c2ccc(Cl)cc2Cl)C2=C(C(=O)CCC2)[C@H]1c1ccc(Br)s1 1108673 BZBZZVMUXBNXAV-GOSISDBHSA-N 495.229 6.122 50 50 JKGA O=C(N/N=C/c1c[nH]c2ccc(Br)cc12)c1ccn(Cc2ccc(Cl)cc2Cl)n1 1209588 OXXUSKGGXZKEPO-KIBLKLHPSA-N 491.176 5.246 50 50 JKGA O=C(N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc(Cl)cc1 2075483 AJFAENDIXIWGGV-LGJNPRDNSA-N 469.349 6.191 50 50 JKGA CCOc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1 4327238 AEPBVYHONXDYIT-RWPZCVJISA-N 466.965 5.464 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])[nH]n2)cc1 101127357 UXEZFAVAKMLHOD-NLRVBDNBSA-N 463.538 5.488 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/C(Cl)=C/c1ccccc1 2326426 MGTNBGFYTNJVJP-HNOWVVQLSA-N 495.435 6.212 50 50 JKGA O=C(N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc(O)cc1 2901985 SMTFJIRLWKLCIA-DHRITJCHSA-N 450.903 5.243 50 50 JKGA CN(C(=O)c1ccccc1)C(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100722522 XLWGMDHJZMVLPQ-UHFFFAOYSA-N 491.378 6.357 50 50 JKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(Cl)cc1Cl 102314120 RRGGPQWRNXDKHC-SGWCAAJKSA-N 455.514 8.705 50 50 JKGA O=P(c1ccccc1)(c1ccccc1)c1nc(-c2ccc(Cl)cc2)oc1N1CCCCC1 1857800147 VHRDBRPEIUDPQJ-UHFFFAOYSA-N 462.917 5.625 50 50 JKGA CCOc1ccccc1[C@H]1C(C#N)=C(N)N(c2ccc(Br)cc2F)C2=C1C(=O)CCC2 2760304 DPEJJONFHHJVGS-QFIPXVFZSA-N 482.353 5.292 50 50 JKGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 4347174 IIHKFEOHEDUZBP-HWDKICEFSA-N 491.758 5.784 50 50 JKGA CCC/C(=N\NC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc12)c1ccc(C)s1 8454716 ZWBZIUYCOZZRGL-BYNJWEBRSA-N 473.598 6.223 50 50 JKGA C/C(=N\NC(=O)Cc1ccccc1Cl)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 20158415 TYHGTINRASDXQP-KNBZMSCYSA-N 497.798 5.194 50 50 JKGA CC1=CCCC(=O)[C@@H]2O[C@H](C1)[C@H]1C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C=C[C@H]12 1501071700 RZSWDVGPZSSBHF-GBYGLKILSA-N 486.728 5.591 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc(C)c(C)c2)c1 2531416 LWCAJCKICJUSIR-OCSSWDANSA-N 466.537 5.513 50 50 JKGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 4229927 YGTUAUFJLYIQBD-FDAWAROLSA-N 480.564 6.020 50 50 JKGA C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 20158550 RDEANYXUWNBWEP-CCVNUDIWSA-N 491.956 5.690 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccc(OCc2cccc(Cl)c2)cc1 20437310 WCBBRMFNLQDEKV-JOCHJYFZSA-N 489.362 6.181 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)c(F)c2)cc1 1775977740 VWLKAPZEYOLQJE-VWLOTQADSA-N 476.479 5.581 50 50 JKGA O=C(N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12)c1cccc(Cl)c1 2553375 NNJZLQYBNPDNFG-RWPZCVJISA-N 463.320 6.130 50 50 JKGA O=C(N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1)c1ccc([N+](=O)[O-])cc1 4229843 LVYNHOJNTYPUBB-DHRITJCHSA-N 479.901 5.446 50 50 JKGA CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCCC)cc3)cc2)cc1 4230169 ISHLEGYLQYAHCS-TURZUDJPSA-N 460.530 5.247 50 50 JKGA CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1 8958934 FRQUNRPZKJUDFP-JVWAILMASA-N 476.005 5.393 50 50 JKGA CCc1cc(C(=O)N/N=C/c2ccc(OC)c(COc3cccc(C(F)(F)F)c3)c2)cs1 20191837 CWLBIBOFPQAUFN-KKMKTNMSSA-N 462.493 5.681 50 50 JKGA CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(OC)cc1 3017485 HUIFIRQANFUXNN-XSFVSMFZSA-N 473.485 5.084 50 50 JKGA CCc1ccc([C@@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CC(C)(C)C3)s1 6284030 FVMAHFUYQSDMEJ-QFIPXVFZSA-N 462.575 5.468 50 50 JKGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccccc1 8569258 XYBTZLIWPLDKIX-DEOSSOPVSA-N 464.525 5.273 50 50 JKGA CCCCN(CC)C[C@H](/C(C)=N/NC(=O)OC)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 25585200 NFSLTZOYMBCKMZ-CJFUTISKSA-N 493.604 5.101 50 50 JKGA COC(=O)c1cccc([C@H](C)Br)c1-c1c(C(=O)OC)cccc1[C@@H](C)Br 101017822 KSPHOTRSFXDUKL-TXEJJXNPSA-N 484.184 5.839 50 50 JKGA CS/C=C(\N=C(/O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102298536 YIWJRKOZCJNGKP-HPNDGRJYSA-O 454.555 6.147 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C)o2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1 1229147 IABPTTBXJGPABY-RUZDIDTESA-N 484.581 5.295 50 50 JKGA COc1cc([C@H]2C(C#N)=C(n3cccc3)OC3=C2C(=O)CCC3)ccc1OCc1ccccc1Cl 12419529 LCGFOOYUGNXFRW-SANMLTNESA-N 486.955 6.242 50 50 JKGA CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)cc1 16804877 ISTMWAOBXSTCIH-PYCFMQQDSA-N 476.605 7.392 50 50 JKGA Cc1ccc2cc(/C=N/NC(=O)COc3ccc(OCc4ccccc4)cc3)c(Cl)nc2c1 19833539 FVOHVHAUQKFJHX-RWPZCVJISA-N 459.933 5.305 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OC)cc2)c(OCC)c1 102283820 NSVMWCZOXGVPQP-VFCFBJKWSA-N 468.594 5.904 50 50 JKGA N=C(CCl)NCCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1nc2ccccc2[nH]1 575419599 YDOAWJHYHGBQFI-QHCPKHFHSA-N 459.981 5.287 50 50 JKGA in-vitro O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1ccccc1O 2519971 QVRRBMGHCWLMHN-ZCTHSVRISA-N 488.547 5.588 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cccc(Br)c1 2521122 ILWFCOKJTIJBPW-DHRITJCHSA-N 487.737 5.094 50 50 JKGA O=C(c1ccc(CCc2ccccc2)cc1)[C@H](Br)[C@@H](Br)c1ccccc1 3122166 YJRLKDSWLXTWTP-FCHUYYIVSA-N 472.220 6.554 50 50 JKGA O=C(NNc1cc(Cl)ccc1Cl)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 3672416 FLXBCLRJCOEBSQ-UHFFFAOYSA-N 456.156 5.679 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3Br)cc2)cc1 4260862 WANUKBIYHSRIQD-WGOQTCKBSA-N 481.346 5.221 50 50 JKGA Cc1ccc(COc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Br)cc3)cc2)cc1 4292724 YTONPUYYYIIYDI-GTPWMTBTSA-N 467.363 5.254 50 50 JKGA CCCCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O 8425454 QMIMPLDBMOLMCI-UHFFFAOYSA-N 457.615 5.189 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1cccc2ccccc12 13208766 WLRLSLDWUCPYHI-OGLMXYFKSA-N 450.567 5.480 50 50 JKGA C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 4372770 PMORBYRNYKWXIE-FKBXNUFCSA-N 494.547 5.402 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)C(Cl)Cl)CC[C@]4(C)[C@@H]3CC[C@]12C 256694094 IAZKUQHFBGEWGA-XMDLNTBBSA-N 497.591 8.743 50 50 JKGA CC(=O)O[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C(=O)[C@H](Br)[C@@]21C 257347959 AADCNQYPXUSRGN-XFRISVKUSA-N 497.470 5.081 50 50 JKGA Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)c1 2520365 AOAYOMMXTRTGRN-NDZAJKAJSA-N 492.535 5.128 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1cccc(Cl)c1 13239667 VZMXPJPAVNJEIN-LGJNPRDNSA-N 469.397 5.634 50 50 JKGA CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc2c1CCC2 16320128 DQGRPDPYWOGHFU-NTCAYCPXSA-N 489.578 5.620 50 50 JKGA CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)cc1 16736647 YSERCHIEISYFIJ-JWGURIENSA-N 487.563 6.287 50 50 JKGA COc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)nc2-c2ccccc2)c(OC)c1 20247433 PZXKRESDUWMFJQ-PXLXIMEGSA-N 464.525 5.161 50 50 JKGA N#CC1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl 2089898 CEJSRDVZIFEEHL-HFJWLAOPSA-N 486.402 6.692 50 50 JKGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1cccc2ccccc12 2269257 SBMFHYCMAUFLCK-STBIYBPSSA-N 498.011 5.983 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cc3ccccc3cc2O)c1 2531461 OUBAEQXNJRFDER-FDAWAROLSA-N 474.516 5.990 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2cc(Cl)ccc2Cl)=C(C#N)[C@H]1c1cccc(C)c1 2921798 WBTYYYHQYNVWBG-HSZRJFAPSA-N 471.409 6.203 50 50 JKGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 4231392 HTQMLBQEXMPWRK-UZWMFBFFSA-N 487.559 6.230 50 50 JKGA O=C(N(N=C(c1ccccc1)c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1 19908330 SVRBHFWLGHACTL-UHFFFAOYSA-N 467.572 7.904 50 50 JKGA COc1cccc([C@H]2C(C#N)=C(N)N(c3cccc(Br)c3)C3=C2C(=O)CC(C)(C)C3)c1 667613 LLWWXSNFDMRUMZ-QFIPXVFZSA-N 478.390 5.399 50 50 JKGA Cc1ccc([C@H]2C(C#N)=C(n3cccc3)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)s1 1432927 JNPBANCINSWYQW-HSZRJFAPSA-N 479.527 6.880 50 50 JKGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)cc2)cc1 4231823 DCRSMLBHKIBJJO-VUTHCHCSSA-N 499.592 5.139 50 50 JKGA CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc2c1CCC2 16320133 SKDIIORWBRZPCL-GXDHUFHOSA-N 465.556 5.242 50 50 JKGA N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 16525621 FJRBOLPJUHQFHB-GZTJUZNOSA-N 456.910 6.894 50 50 JKGA N#CC1=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 714790 MONJWLILAJCQDK-QHCPKHFHSA-N 458.562 5.333 50 50 JKGA Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cccs2)cc1 1192273 RKETWADPNWAXJF-OVVQPSECSA-N 489.622 5.216 50 50 JKGA Cc1ccc2nc(/C(C#N)=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)[nH]c2c1 22078988 PDPCJLSJZWMAQD-LDADJPATSA-N 457.364 7.245 50 50 JKGA CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)CC(C)(C)C3)cc1 3619758 GXDJRNVSFCGBCT-RUZDIDTESA-N 475.036 6.127 50 50 JKGA CCCc1n[nH]c2c1[C@H](c1ccc(OC)c(CSc3nc4ccccc4o3)c1)C(C#N)=C(N)O2 8568288 KULFMVDOGMBUHP-OAQYLSRUSA-N 473.558 5.022 50 50 JKGA COc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(I)c1OCc1ccccc1 16195736 VKVOBLUOPJOZOD-NHDPSOOVSA-N 492.316 5.815 50 50 JKGA Cc1ccc2cc(/C=C(\C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)c(Cl)nc2c1 16511457 KOISPWVGTRJJJK-VCHYOVAHSA-N 455.926 6.491 50 50 JKGA CC(C)(C)[Si](C)(C)OC[C@H]1OC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 169744750 FMXIGEXRLSNRMR-NJYVYQBISA-N 488.934 7.702 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(C)cc2)N1 1230340 HSWOTKBDNHDMEE-RUZDIDTESA-N 469.566 5.539 50 50 JKGA O=C(N/N=C/c1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccc(F)cc1 2530151 LUDJGMBPHPYUQX-IPPBACCNSA-N 481.310 6.269 50 50 JKGA O=C(COc1cccc(Cl)c1)N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12 2532314 MGNHTQWFWJCLSY-WKULSOCRSA-N 493.346 5.895 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccc(-c2ccccc2)cc1 5317679 FEYMRUNKNMPGAV-WEMUVCOSSA-N 490.632 6.384 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(n1cccc1)=C(C#N)[C@@H]2c1ccsc1 12402334 USRACXSIRWUQAV-QHCPKHFHSA-N 493.554 7.208 50 50 JKGA O=C(N/N=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(Br)s1 20522991 YBTNIRXGKOEKII-ZMOGYAJESA-N 465.376 5.186 50 50 JKGA Cc1cccc2cc(/C=C(\C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)c(Cl)nc12 22781215 YQODKOQOZDLLTF-BUVRLJJBSA-N 463.993 8.051 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](OC(=O)CCl)[C@]45C[C@H]4CC[C@]5(C)[C@@H]3CC[C@@]12C 257348908 JYFIEJVIHNYZAE-YGVFDNRPSA-N 463.146 7.868 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1ccc(F)cc1 1199028 DWFACVULNYOOBW-QFIPXVFZSA-N 475.372 6.034 50 50 JKGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccc(Cl)cc3)cc2)cc1 2544163 NQMPQPJNLOBURM-FDAWAROLSA-N 498.966 6.211 50 50 JKGA C/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2ccccc2F)c1 8456051 FWPPNHQXHLKRAG-BGHBEYGCSA-N 471.576 6.019 50 50 JKGA CCn1c(SCC(=O)N/N=C(\C)c2ccc(-c3ccccc3)cc2)nnc1-c1ccccc1 19800716 SPOHTWJGRNEUMT-ZXVVBBHZSA-N 455.587 5.265 50 50 JKGA CCc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2sc(-c3ccccc3)cc2C(=O)OC)cc1 20212514 GWMTVPWJXKVAMR-DEDYPNTBSA-N 482.565 5.700 50 50 JKGA COc1cccc(/C=C(\C#N)C(=O)NC2CCCCCC2)c1OCc1ccc(F)cc1Cl 20274629 NAJYNERCUVUNOW-CPNJWEJPSA-N 456.945 5.813 50 50 JKGA N#CC1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl 2089896 CEJSRDVZIFEEHL-QYBDOPJKSA-N 486.402 6.692 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2OC)cc1 2531637 BDCMRAAWMVEKAH-JVWAILMASA-N 466.921 5.121 50 50 JKGA O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2573347 LSOZFXMRZZMZOB-MUFRIFMGSA-N 477.347 6.059 50 50 JKGA COc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 2855134 LZOQDDVPLDLPGC-HKWRFOASSA-N 466.497 5.461 50 50 JKGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(Oc3ccccc3)Oc3ccccc3)cc2)cc1 4209789 BGFBAPFXHFRFLC-TWKHWXDSSA-N 480.520 5.148 50 50 JKGA CC(C)(C)c1cc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)cc(C(C)(C)C)c1O 5297052 SZNSKJFXZMMGQE-OCSSWDANSA-N 468.601 6.294 50 50 JKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1c2ccccc2cc2ccccc12 102287651 AZMTYNRIBJBBFG-DNGXXSEMSA-N 486.744 9.705 50 50 JKGA N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1nc(O)c2ccccc2n1 16293343 YSIVFEYUENRNAG-NBVRZTHBSA-N 460.453 5.160 50 50 JKGA CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccccc1F 16361696 OUBLPZCELREUHR-WQRHYEAKSA-N 492.348 6.506 50 50 JKGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OCc1cccc(F)c1 20176004 RGRKNEHIKCINGW-XMMPIXPASA-N 482.515 5.412 50 50 JKGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Cl 2553263 GBLJTQHDQHGGLQ-XODNFHPESA-N 496.329 5.074 50 50 JKGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OCc4ccc(C)cc4)cc3)cc2)cc1 2578291 VLLUFCKUNJPSAU-ZCTHSVRISA-N 494.547 5.566 50 50 JKGA CCCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 4258661 DWSVWWMKIITOLO-AJBULDERSA-N 480.564 5.931 50 50 JKGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(-c4ccccc4)cc3)cc2)cc1 4259621 KKAHJYIVNCQMNM-NIKULWCKSA-N 494.547 5.499 50 50 JKGA O=C(Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(Br)o1)c1ccccc1 4259943 LQFUDDJQQGGPNH-AFUMVMLFSA-N 463.287 5.178 50 50 JKGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCC)cc3)cc2)cc1 4283468 ZAFKDZGIOWLXGN-VUTHCHCSSA-N 490.556 5.013 50 50 JKGA COc1ccc(-c2ccc(/C=N\NC(=O)[C@@H]3COc4cc5ccccc5cc4O3)o2)cc1Cl 22077368 MOEMIBKSIRMEHO-LIYRDEPISA-N 462.889 5.052 50 50 JKGA COCOCCC[C@@]12C=C(C)C(C)(C)[C@@H]1CC1(OCCO1)[C@H](C)[C@@H]2CO[Si](C)(C)C(C)(C)C 169835398 PUUMGICSPSZHDQ-KSZLKVKMSA-N 482.778 6.397 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2F)cc1 1775964955 NOQJQDQXEQLXQK-XMMPIXPASA-N 462.452 5.191 50 50 JKGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1Cl 4327204 VSCYWLFZPPDVCR-FYDYWCEBSA-N 487.339 5.139 50 50 JKGA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 4335661 ZNMRLPJIYFYTRE-OWAQKBPCSA-N 477.775 6.143 50 50 JKGA COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2ccccc2OCc2ccccc2)n[nH]1 5294686 KKMSNJGOAMWJCI-OIMCPGDUSA-N 452.514 5.093 50 50 JKGA O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)[C@@H]1COc2cc3ccccc3cc2O1 16677626 AVCALQNBCMNKPS-ALORDFFLSA-N 467.308 5.697 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](Br)C(=O)C[C@]4(C)[C@H]3CC[C@@]12C 257347824 VIIVIWOTOXHLTG-WVLYZZIOSA-N 463.544 7.970 50 50 JKGA COc1ccc(/C=N/NC(=O)c2csc3ccccc23)cc1COc1ccc(Cl)cc1 2103537 WMDMLUXWGNHDNQ-LGJNPRDNSA-N 450.947 5.906 50 50 JKGA COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 4456518 UXLWZSHVBNWGAF-ODLFYWEKSA-N 492.915 5.180 50 50 JKGA CCc1ccc([C@@H]2C(C#N)=C(SCC(=O)c3cccc([N+](=O)[O-])c3)NC(C)=C2C(C)=O)cc1 1199014 KVXKNFYVGOQMQG-XMMPIXPASA-N 461.543 5.058 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccccc1F)C(n1cccc1)=C(C#N)[C@@H]2c1ccc2c(c1)OCO2 1432021 JDONQLAPDNCLCO-SANMLTNESA-N 481.527 5.995 50 50 JKGA CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccccc3I)ccc21 1948082 DHFFEIASJKNRSO-ZVHZXABRSA-N 467.310 5.183 50 50 JKGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 2057816 AHNHMPPQDRIZIB-CVKSISIWSA-N 462.347 5.881 50 50 JKGA CC(=O)c1cccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(Br)c3)c2)c1 20310966 PQGHSBKCCAJLBK-NHDPSOOVSA-N 475.342 5.776 50 50 JKGA COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 16196295 DOTPTKCQVSFUOC-GRSHGNNSSA-N 454.309 6.343 50 50 JKGA Cc1cc2nc(/C(C#N)=C\c3cn(CC(=O)Nc4ccc5c(c4)OCO5)c4ccccc34)[nH]c2cc1C 16284161 GBJFBNAZFAUGKC-ODLFYWEKSA-N 489.535 5.566 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(-c3ccccc3)cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1 2848784 TUXJUZRCULGZBD-MUUNZHRXSA-N 499.035 6.908 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)OCc2ccccc2)N1 8892297 LDICDROOMMKUES-VWLOTQADSA-N 485.565 5.091 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1cccc([N+](=O)[O-])c1 9088253 NKOBWSMJWGCQEX-CIAFOILYSA-N 494.023 5.025 50 50 JKGA COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1OCc1cccc(C(F)(F)F)c1 20344397 PWUSYNBIHNGQFY-WSDLNYQXSA-N 494.513 6.764 50 50 JKGA CCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 13205378 WEQMETULDSUPPV-LQKURTRISA-N 493.032 5.769 50 50 JKGA Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4[nH]nc(-c5ccc(Cl)cc5)c43)cc2)cc1 20367361 MJQGEDYJFHPCIB-HSZRJFAPSA-N 468.944 5.836 50 50 JKGA COCCOCO[C@@H]1C=C2CC[C@H]3CCC(=O)C[C@@]2(C[C@H]1C)[C@H]3O[Si](C)(C)C(C)(C)C 169829616 PRZVFUFBVMEGBV-BWQUVUSJSA-N 452.708 5.498 50 50 JKGA COc1ccc(C=NNC(=O)c2sc3ccccc3c2Cl)cc1COc1ccc(F)cc1 252678302 DKAUVTFKHWYQFF-UHFFFAOYSA-N 468.937 6.045 50 50 JKGA CC1=C(C#N)[C@H](c2ccccc2Br)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 659081 XULQZEZCUXXSPD-QRQCRPRQSA-N 453.767 5.988 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc3ccccc3c2)=C(C#N)[C@H]1c1sccc1C 1199096 UTRUTIBAQLSEHG-XMMPIXPASA-N 458.608 6.111 50 50 JKGA CCc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3F)C3=C2C(=O)CCC3)s1 2518445 NINPPSFATKRWGA-HXUWFJFHSA-N 472.383 5.517 50 50 JKGA O=C(Oc1ccc(Br)cc1/C=N/NC(=O)c1cc2ccccc2cc1O)c1ccccc1 2553517 KQJKTPBSXZHLDI-JFLMPSFJSA-N 489.325 5.291 50 50 JKGA CC/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccc(O)cc1 8997270 QOEZUYWKQZDKEH-HPNDGRJYSA-N 492.004 5.316 50 50 JKGA COc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)ccc1OC(=O)c1ccc(Cl)cc1 2584747 MQAXRBMKMUMALD-MUFRIFMGSA-N 488.927 5.250 50 50 JKGA Cc1ccc2[nH]c(/C(C#N)=C\c3cc(Br)cc(Br)c3OC(C)C)nc2c1 16348332 RKWFYNZWGUBQDY-AUWJEWJLSA-N 475.184 6.248 50 50 JKGA Cc1cccc2cc(/C=C(\C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)c(Cl)nc12 16511822 GWPIHAOKUWZAGG-LZYBPNLTSA-N 456.785 7.691 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1ccc(Cl)cc1 2573404 MLFPCTBJUNRCQR-VULFUBBASA-N 487.781 5.844 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1 2584936 HEKRYMUXMIDHIV-WKULSOCRSA-N 477.347 6.438 50 50 JKGA C/C(=N\NC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccc(Cl)s2)c1 8453745 BBYNMYVWMWFCDF-WYMPLXKRSA-N 476.783 5.570 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1ccccc1 13893235 LIDTYGQEMYHDIH-ZTKZIYFRSA-N 483.641 5.864 50 50 JKGA Cc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(SCc2ccccc2)o1 53243222 QTILLCBVUCKHPW-UHFFFAOYSA-N 466.566 5.895 50 50 JKGA C=CC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C 169836641 OQQDNURQSQXAJR-FTJBHMTQSA-N 484.829 5.890 50 50 JKGA CCCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 4210546 LZKJFYJDIJZJGC-DXGQYDLSSA-N 456.542 5.177 50 50 JKGA N#C/C(=C\c1ccc(O)c(Br)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 16671887 MLYWACWTQUFCGJ-VZUCSPMQSA-N 452.160 6.649 50 50 JKGA C=C[C@@](C)(CO[Si](C)(C)C(C)(C)C)C[C@H]1OC(=O)[C@H]2[C@H](CCC(=O)OC)CC[C@@H](C)[C@]21C 169830443 NCZSINJCENXUET-VNWZSYKWSA-N 466.735 6.138 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2OCC)cc1 2531930 LIYHJVXIWLLLBM-JVWAILMASA-N 466.921 5.121 50 50 JKGA O=C(COc1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2573350 IIZASRHWVOHGLQ-RPPGKUMJSA-N 477.731 5.395 50 50 JKGA Cc1ccc(COc2ccc(-c3cc(C(=O)N/N=C/c4cccc5ccccc45)[nH]n3)cc2)cc1 9375250 ZUJYLJASRSTVOL-UXHLAJHPSA-N 460.537 5.881 50 50 JKGA N#CC1=C(n2cccc2)N(c2ccc(C#N)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 12360544 RIMIYNUKIDYZQL-AREMUKBSSA-N 460.493 5.092 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(n1cccc1)=C(C#N)[C@H]2c1cccnc1 1432000 KKNWXZAUTNWRMU-XMMPIXPASA-N 488.513 6.541 50 50 JKGA Cc1ccsc1[C@H]1C(C#N)=C(n2cccc2)N(c2ccccc2C(F)(F)F)C2=C1C(=O)CCC2 1432898 OANSLQIMGGQBJH-QFIPXVFZSA-N 479.527 6.880 50 50 JKGA COc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1 2597253 MMNSVDBCNUOPKI-MZJWZYIUSA-N 452.938 5.074 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1ccccc1Cl 4642240 VCPLJSADUIJGMY-JOCHJYFZSA-N 491.827 6.548 50 50 JKGA CCCCOc1ccc(-c2n[nH]c3c2[C@H](c2c[nH]nc2-c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 8854977 INIGJYJIBJROBU-NRFANRHFSA-N 470.508 5.003 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2)cc1 2543195 GKVIXHXZHRFKEA-WGOQTCKBSA-N 481.346 5.221 50 50 JKGA COc1cc([C@@H]2CC(=O)NC(SCc3ccccc3Cl)=C2C#N)cc(Br)c1O 9374905 AKTKKNYSNUKGSB-ZDUSSCGKSA-N 479.783 5.089 50 50 JKGA COc1ccc(CO[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@H](O)[C@]3(O)CC[C@H]2C3(C)C)cc1 169835453 FLSGQPQDWNJHDS-CHYHEQJZSA-N 478.746 5.683 50 50 JKGA CCCCOc1ccc(NC=C(C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1 2049286306 OQCCZAQHSZSRBD-UHFFFAOYSA-N 488.525 5.980 50 50 JKGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 2851826 MNCGKHJENIXSFO-CQSZACIVSA-N 460.386 5.446 50 50 JKGA COC(=O)c1nc(-c2ccc(C)cc2)sc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101728327 OXNULVUVSUUQCT-UHFFFAOYSA-N 494.576 5.525 50 50 JKGA COc1ccc(C=NNC(=O)c2sc3ccccc3c2Cl)cc1Cn1nnc2ccccc21 252679879 SMJPWYTXGXKEIY-UHFFFAOYSA-N 475.961 5.120 50 50 JKGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)c(Cl)c4)ccc32)cc1 824659948 VYZWVDUFXSMVRZ-QFIPXVFZSA-N 467.308 5.439 50 50 JKGA Cc1cc(Br)ccc1N1C(N)=C(C#N)[C@@H](c2ccc(F)cc2)C2=C1CC(C)(C)CC2=O 716503 PPLXCDSPYBJBQS-JOCHJYFZSA-N 480.381 5.838 50 50 JKGA CCCc1ccc(-c2cc(C(=O)N/N=C/c3cc(OC)ccc3OC)c3ccccc3n2)cc1 2760876 YNUBVZPWYURROB-RDRPBHBLSA-N 453.542 5.635 50 50 JKGA CC(C)(C)c1cc(/C=N/NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc(C(C)(C)C)c1O 5353771 YSJJZCFIMBYBIB-MZJWZYIUSA-N 452.986 5.795 50 50 JKGA COc1ccccc1C(=O)Nc1c(C(=O)N/N=C/C2CCCCC2)sc2nc(C)cc(C)c12 12446506 UOYLVFDTVCYGEU-VULFUBBASA-N 464.591 5.470 50 50 JKGA N#C/C(=C\Nc1ccc(Br)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 16671805 DXXZKIZQVKPHKS-FMIVXFBMSA-N 451.176 6.856 50 50 JKGA CCc1ccc2c(Cl)c(C(=O)N/N=C(/C)c3ccc(NC(=O)C(F)(F)F)cc3)sc2c1 20572508 JKRAWAHFMJTLRN-BCHBDCPOSA-N 467.900 5.772 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1 102291430 YGKOGPWJISLOMJ-ZXVVBBHZSA-N 454.567 5.514 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)C(Cl)Cl)CC[C@]4(C)[C@H]3CC[C@]12C 257348373 FAKDDMAOMPFPIR-FALORTFASA-N 499.607 8.823 50 50 JKGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(-c4ccccc4)cc3)cc2)c1 2543188 XUSWZKBJIKGPIE-NDZAJKAJSA-N 464.521 5.410 50 50 JKGA CC/C(=N\NC(=O)c1cc(-c2ccc(OC(C)C)cc2)nc2ccc(C)cc12)c1cc(O)ccc1O 13321444 WUHGZTXIGXFBEU-QCKNELIISA-N 483.568 5.953 50 50 JKGA CCOc1ccc(NC(=O)C(=O)N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@H]4CC[C@@]23C)cc1 245253748 MNXVBXWQINRGGF-NCZZGWGHSA-N 489.616 5.061 50 50 JKGA CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)cc1OC 1775976279 LECBGRUUYNGLGZ-CWBDRXANSA-N 482.536 5.321 50 50 JKGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)cc2)c1 2543044 JTCQNRHGGCALQL-LGJNPRDNSA-N 457.313 5.050 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)[nH]n1)c1cccc(O)c1 9353808 FCYFJEHSIIAPAM-JVWAILMASA-N 460.921 5.169 50 50 JKGA O=C(CCCCC(=O)N/N=C/c1cccc2ccccc12)N/N=C\c1cccc2ccccc12 17720192 GXIKXKFOBBSRLO-GOLAWLNDSA-N 450.542 5.154 50 50 JKGA COc1c(C)cc(P([C]2[CH][CH][CH][C]2[C@H](c2ccccc2)N(C)C)c2cc(C)c(OC)c(C)c2)cc1C 103614413 XUWOZTNQYWCXED-PMERELPUSA-N 498.627 6.406 50 50 JKGA O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 239439360 ZUSLMGRVOGXUNI-NTQGCYDRSA-N 478.342 5.142 50 50 JKGA CC(/C=N/NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)=C\c1ccccc1 1814156 GZTGKTYLMBIQSR-WJCXXMICSA-N 454.646 5.436 50 50 JKGA O=C(N/N=C/c1c[nH]nc1-c1ccc(Cl)cc1)c1sc2cccc(Br)c2c1Cl 13321870 TXEXNUPYJCDTBW-PGGKNCGUSA-N 494.201 6.125 50 50 JKGA COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1C#N 16319834 OBSMRHQBRYRPQK-JMIUGGIZSA-N 479.761 6.626 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1c(F)cccc1F)C(N)=C(C#N)[C@H]2c1cccc(Cl)c1Cl 2192624 PBGBAZHXZPLTLH-LJQANCHMSA-N 474.338 6.212 50 50 JKGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2506511 MZVGDXICSXKGQV-FYDYWCEBSA-N 487.339 5.139 50 50 JKGA COc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2571668 GZDNZKMXAOKQRU-UVHMKAGCSA-N 487.339 5.059 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12)c1cc(O)ccc1O 13321460 XMZDIDAPVSGHHI-MZJWZYIUSA-N 476.330 5.230 50 50 JKGA CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OC 1775977919 YRZNBUNQDGUXBU-SANMLTNESA-N 470.525 5.230 50 50 JKGA CCc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(Cl)c3C)C3=C2C(=O)CC(C)(C)C3)s1 2518442 UASNQUJNMIZHMW-QFIPXVFZSA-N 452.023 6.213 50 50 JKGA O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 4210303 OOVRFDFWXDGCGC-UVHMKAGCSA-N 499.375 5.956 50 50 JKGA C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 4260951 FKBLXHIUBLDCIZ-OJPXDDBDSA-N 472.928 5.630 50 50 JKGA CC(/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)=C\c1ccccc1 8916684 YUARXJSCWJBTDZ-SILQRRHJSA-N 488.016 5.885 50 50 JKGA CCc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2sc3cccc(Br)c3c2Cl)cc1 13321868 QXCRUTZENIROGE-OPEKNORGSA-N 487.810 6.034 50 50 JKGA COc1cccc(N/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c1 16671864 OVJTYGCBHBXQJM-SAPNQHFASA-N 451.507 6.055 50 50 JKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1c(Cl)cccc1Cl 102287759 RCYJAIUKVZBAHX-SGWCAAJKSA-N 455.514 8.705 50 50 JKGA COc1ccc(COCC[C@@H]2[C@H](C=O)C[C@H]3[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]4C=C[C@H]32)cc1 169834901 PHPBPQUNCCTYKL-MJTLXSOSSA-N 484.753 6.656 50 50 JKGA N#C/C(=C/c1cccn1-c1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1Cl 2970200 IFGCRUIWENTJOO-RAXLEYEMSA-N 461.146 6.092 50 50 JKGA O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4210074 JMCDDKUZVOSZSO-LQKURTRISA-N 458.901 5.242 50 50 JKGA O=C(Oc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1)c1ccc(Cl)cc1 19800618 DUGZTONNVCUEJY-LGJNPRDNSA-N 469.349 6.191 50 50 JKGA CN1C(=O)Oc2ccc3ccccc3c2[C@@H]1OO[C@H]1c2c(ccc3ccccc23)OC(=O)N1C 100742383 MAGJZFKZNASVGV-ZEQRLZLVSA-N 456.454 5.527 50 50 JKGA BrCCc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101011182 HTAYVWRLBQKYPF-UHFFFAOYSA-N 460.375 6.118 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(OC)c(OC)c3)[nH]n2)cc1 102302996 OBSCMFPZXLMDAZ-ZTKZIYFRSA-N 492.620 5.987 50 50 JKGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(COc2cccc(C(F)(F)F)c2)o1 648664 WEQDSANWCKHYET-HXUWFJFHSA-N 458.436 5.328 50 50 JKGA COc1ccc(OC)c(-c2cc(C(=O)N/N=C/c3ccc(Cl)s3)c3ccccc3n2)c1 673485 NBAYXFSHWBRAIR-DHRITJCHSA-N 451.935 5.398 50 50 JKGA CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1 1144910 SXBGIDFSYQYWNC-QHCPKHFHSA-N 450.922 5.132 50 50 JKGA Cc1ccc(N2C3=C(C(=O)CCC3)[C@H](c3ccc4c(c3)OCO4)C(C#N)=C2n2cccc2)cc1Cl 1432010 BVXDQPNHNYQTQZ-AREMUKBSSA-N 483.955 6.182 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3c(O)ccc4ccccc34)n2-c2ccccc2)cc1 2226938 HLHJKXRMDMGSNA-STBIYBPSSA-N 493.592 5.344 50 50 JKGA CCCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc1 2531535 FKXHIFCXFWSTKW-JVWAILMASA-N 495.373 5.529 50 50 JKGA O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(OCc2ccc(Cl)cc2)cc1 4360526 BKUMTKANBNZZOM-UXHLAJHPSA-N 470.956 6.262 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(-c3ccccc3)cc2)=C(C#N)[C@H]1c1ccc(F)cc1 16676280 GKWYBQUDIRMJEW-MUUNZHRXSA-N 482.580 6.394 50 50 JKGA N#C/C(=C\c1cccc(OCc2c(Cl)cccc2Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 20508009 SKJZXXSQFCFVDS-LFIBNONCSA-N 468.296 6.026 50 50 JKGA N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccccc1F 22228536 IDNCFOSORSSVHE-YVLHZVERSA-N 496.292 5.621 50 50 JKGA Clc1ccc(Sc2scnc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 100725923 YRFXSYCQNUEYBN-UHFFFAOYSA-N 489.025 6.567 50 50 JKGA CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C[C@H](C)Cl)CC[C@]4(C)[C@H]3CC[C@]12C 1772491654 QGDQJFKTMDHPQG-ZLSJAOEQSA-N 491.200 9.245 50 50 JKGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 946603 CDQBHEWBJOJQCR-STBIYBPSSA-N 462.509 5.278 50 50 JKGA N#CC1=C(n2cccc2)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 1432017 JOSPFBMXIRYJSX-RUZDIDTESA-N 453.473 5.359 50 50 JKGA CCCCc1ccc(OCC(=O)N/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 4259345 IGHVBJCPEVOYTE-BIZUNTBRSA-N 484.571 6.430 50 50 JKGA C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C 195751265 ADANNTOYRVPQLJ-UHFFFAOYSA-N 459.001 5.546 50 50 JKGA N#CC1=C(N)OC2=C(CCC/C2=C\c2ccc(Cl)cc2Cl)[C@H]1c1ccc(Cl)cc1Cl 2111248 QLLPKSDLBNFQPY-CDDKBXLESA-N 478.206 7.629 50 50 JKGA CC(C)(C)c1ccc(-c2nnc(SCC(=O)N/N=C/c3cccs3)n2-c2ccccc2)cc1 2318269 MJTMWOJENXFOOL-WGOQTCKBSA-N 475.643 5.536 50 50 JKGA CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C1C(=O)CCC2 2501763 CRSGKIDZAAASLI-LJQANCHMSA-N 452.561 5.073 50 50 JKGA O=C(COc1ccccc1Cl)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 2521956 JBFICTNEDRKJQG-LQKURTRISA-N 458.901 5.242 50 50 JKGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(COc3ccc(Br)cc3)o2)[C@@H]2CCCC=C12 2768786 SPHGNSHLTCOGPQ-KNQAVFIVSA-N 475.346 5.215 50 50 JKGA O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 4210304 CTNHNQPXDYHQOX-UVHMKAGCSA-N 499.375 5.956 50 50 JKGA CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 4260901 FNOPNENJONHDMO-PYGAFPFSSA-N 477.369 5.582 50 50 JKGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 4366629 LWDGDAQSKCGQAC-QCLOQBNLSA-N 498.966 6.144 50 50 JKGA CC(C)N1CC2=C(OC(N)=C(C#N)[C@H]2c2cccc(Cl)c2)/C(=C/c2cccc(Cl)c2)C1 19816539 XMKIULFQILPFQK-VULPMGHGSA-N 452.385 5.863 50 50 JKGA Cc1ccc(-c2cc(C(=O)NN=C3CCN(Cc4ccccc4)CC3)c3ccccc3n2)s1 20407535 CPBHNFHUOUMQBX-UHFFFAOYSA-N 454.599 5.654 50 50 JKGA CCCCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Sc1nc2ccccc2s1 20562676 MMRPNCPVIGKLIU-WQEJZQBCSA-N 492.464 5.869 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCl)CC[C@]4(C)[C@H]3CC[C@@]12C 257350371 WUBOZGDSEKAKCR-CNSDLXMBSA-N 465.162 8.258 50 50 JKGA C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2531395 SZCYRXNNZANVNC-HJHSVFMCSA-N 458.945 5.990 50 50 JKGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccc(OC(=O)c4cccs4)cc3)cc2)cc1 2553415 VPMBFWLEXWAEBP-OGLMXYFKSA-N 470.550 5.619 50 50 JKGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccccc1Cl 8566471 ULUYXBHDEQQVGV-HSZRJFAPSA-N 484.943 5.536 50 50 JKGA Cc1ccc(C)c([C@H](C)NC(=O)/C(C#N)=C/c2cccn2Cc2ccc(Cl)cc2Cl)c1 20356972 OPFWJFXXRFMWHA-TYJAPOHBSA-N 452.385 6.244 50 50 JKGA O=C(NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 97949545 RJLFYCTXRJQJLC-UHFFFAOYSA-O 477.351 6.015 50 50 JKGA CC1=C(C#N)[C@H](c2ccc(OCc3ccc(Br)cc3)cc2)C2=C(CC(C)(C)CC2=O)N1 627236 ZWBRRFYWTYGCCP-DEOSSOPVSA-N 477.402 6.156 50 50 JKGA CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)OCc2ccccc2)=C(C)N1 1142328 GDFGRGLJLNVJFE-QHCPKHFHSA-N 482.989 5.076 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccccc3)n2-c2ccccc2)cc1 2334374 LSPKTXQJAAEYRL-YWQNRBPGSA-N 453.571 5.150 50 50 JKGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(Cl)c3Cl)cc2)c1 2531284 JIZRZFJYGAVHSF-LGJNPRDNSA-N 457.313 5.050 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)c1 4283375 ZIDCMGHIYKTJIB-HJHSVFMCSA-N 497.507 5.193 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccccc1Cl 8439285 SQBLIKCEVRPLTJ-QFIPXVFZSA-N 457.382 5.894 50 50 JKGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1cccc2ccccc12 2339069 YLEMRNZDZYPKOX-YDZHTSKRSA-N 450.614 5.226 50 50 JKGA C[C@H](CP(=O)(Cc1ccccc1)Cc1ccccc1)P(=O)(c1ccccc1)c1ccccc1 2909513 UGRXMAIAHBOEDR-RUZDIDTESA-N 472.505 7.153 50 50 JKGA C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 4261026 MKXQQRCRNWTHSY-MAZFOTSLSA-N 488.543 6.130 50 50 JKGA COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc2c1OC(c1ccccc1)(c1ccccc1)O2 8729802 UCAIUWMOUIJRHS-UHFFFAOYSA-N 469.449 5.495 50 50 JKGA N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1nc(O)c2ccccc2n1 16736645 FGBPFZIEYMMELH-JXAWBTAJSA-N 494.352 6.015 50 50 JKGA CC(/C=C/c1ccccc1)=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 252678611 GEKUNSPYFFOCRA-YUPMSYTOSA-N 453.571 5.232 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](I)CC[C@]4(C)[C@@H]3CC[C@]12C 255004128 PMVJGSYGUZXDAR-REBUVGRLSA-N 496.561 8.831 50 50 JKGA CC(C)(C)c1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(F)cc3)n2-c2ccccc2)cc1 2234233 FDSYUSPZQBPOQV-STBIYBPSSA-N 487.604 5.613 50 50 JKGA CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2ccc(C)cc2)C2=C1C(=O)CC(C)(C)C2 2381711 CZGAWJTWNWLMBI-HSZRJFAPSA-N 477.699 6.672 50 50 JKGA COc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)ccc1OC(=O)c1ccccc1Cl 2565232 WIOGTIHEQQWHBF-MUFRIFMGSA-N 488.927 5.250 50 50 JKGA C=CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3C)C3=C2C(=O)CCC3)cc1 2801505 VVWCVCNWXJSTDV-XMMPIXPASA-N 490.401 5.627 50 50 JKGA COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(NC(C)=O)cc3)c3ccccc3n2)cc1OC 8565012 IBWZKVDEBZGKDN-KBVAKVRCSA-N 482.540 5.031 50 50 JKGA O=C(N/N=C\c1ccccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc(O)cc1 33394155 SMTFJIRLWKLCIA-MXAYSNPKSA-N 450.903 5.243 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1)c1ccc(Br)cc1 33896845 VLYMHTWTOMIGIQ-WPWMEQJKSA-N 489.373 5.572 50 50 JKGA CC1(C)OB(c2cnc(Cl)nc2N[C@H]2CC[C@H](O[Si](C)(C)C(C)(C)C)CC2)OC1(C)C 253496135 KCWJSZPHESHXPC-WKILWMFISA-N 467.923 5.174 50 50 JKGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(F)c(Cl)c1 648704 YYJJMAOLMOUVAM-HSZRJFAPSA-N 482.939 5.518 50 50 JKGA Cc1ccsc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 2343715 PYRWVKJDJUOPGT-ZMOGYAJESA-N 468.007 5.200 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Cl)c3)nnc2-c2ccccc2)cc1 2387618 MMHFGKQQHHJBAV-CVKSISIWSA-N 461.978 5.139 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(F)cc2)cc1 2531908 CQCNHPDLIBDKBW-STBIYBPSSA-N 456.473 5.361 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2C)cc1 43761121 KFHOQOHWNPHSOT-RDRPBHBLSA-N 452.510 5.530 50 50 JKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 102287707 QWEVQRKMHIWJTG-BYNJWEBRSA-N 476.702 7.424 50 50 JKGA O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccccc3)Nc3ccc4ccccc4c3[C@@H]2[C@@H]1Cl 239347242 MNJHTWREHWCETR-BEYJASPZSA-N 487.024 7.787 50 50 JKGA CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)OCc2ccccc2)=C(C)N1 1142327 GDFGRGLJLNVJFE-HSZRJFAPSA-N 482.989 5.076 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1ccc(F)cc1 1199029 DWFACVULNYOOBW-JOCHJYFZSA-N 475.372 6.034 50 50 JKGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1cccc2ccccc12 2360289 MNWFRSOZVBLWAB-STBIYBPSSA-N 498.011 5.983 50 50 JKGA O=C(Oc1cccc(/C=N/NC(=O)c2ccccc2Br)c1)c1ccc(Cl)cc1 2521669 UPQPEFZIHQRLEG-ZMOGYAJESA-N 457.711 5.086 50 50 JKGA Cc1ccc(OCC(=O)N/N=C/c2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)cc1C 2532318 DXTBNDMHZLSGOU-OKCVXOCRSA-N 486.955 5.858 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1cccs1 8817210 LWQCEBKCIFRQFE-OVVQPSECSA-N 489.670 5.926 50 50 JKGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccc(C(C)C)cc3)nc3ccccc32)cc1 13239207 CMXOUUAMJDCCQI-LQKURTRISA-N 456.615 5.759 50 50 JKGA C/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 22063888 VCWXLGAMONAJQH-RFBSTOOJSA-N 466.368 5.890 50 50 JKGA CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Cl)CC)CC[C@]4(C)[C@H]3CC[C@]12C 1772491585 JKEJJFJGGOFWEL-NDFSOEDJSA-N 491.200 9.245 50 50 JKGA O=C(NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1)c1ccccc1Cl 1885777 HAUYESKVYKTQGP-UHFFFAOYSA-N 453.727 5.470 50 50 JKGA CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C1C(=O)CC(C)(C)C2 2381706 QIIIJOPLGOTBET-HXUWFJFHSA-N 480.615 5.628 50 50 JKGA COc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1OC 2542555 QRDGSDNXVOPWLL-MZJWZYIUSA-N 494.956 5.555 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1 2584933 SGASVCVATYRRPK-WKULSOCRSA-N 477.347 6.438 50 50 JKGA Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3ccc(C(=O)O)cc3)cc2Br)cc1 16293057 IFXWMDZZTGWTRH-NDENLUEZSA-N 491.341 5.537 50 50 JKGA N#C/C(=C\c1ccc(OCC(=O)c2ccc(F)cc2)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 16320049 HPHRLQXYLRJETR-UDWIEESQSA-N 485.496 6.183 50 50 JKGA COC(=O)[C@]12C(=O)C[C@H](Sc3ccccc3)C(C)(C)[C@H]1CCC[C@@H]2O[Si](C)(C)C(C)(C)C 169835221 CABFEEXBAPFLEM-OJZVVMIASA-N 476.755 6.496 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCl)CC[C@]4(C)[C@@H]3CC[C@]12C 257358996 XUXXPLDKUZSGKH-RCXIELNSSA-N 463.146 8.178 50 50 JKGA O=C(N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 2532306 MWXZZDDXOUVPGS-JFLMPSFJSA-N 473.872 5.385 50 50 JKGA CON(C)C(=O)C[C@H](O)[C@@H](C)[C@@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C 169836201 HSVJPKUTNVEVFB-QHAWAJNXSA-N 491.862 5.976 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)[C@H](Br)[C@H]4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C 257350480 XSXHTVGXMMGURA-LCZRQJGGSA-N 483.575 6.813 50 50 JKGA N#CC1=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 2573696 AOVFDBSBBKQIBG-QHCPKHFHSA-N 485.569 5.102 50 50 JKGA CCc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4Cl)cc3)[nH]n2)cc1 9375354 JEXMDHKGKOXOGK-LQKURTRISA-N 458.949 5.635 50 50 JKGA CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1O 15837737 YDWJDOCFBFPJLY-WUXMJOGZSA-N 455.230 5.118 50 50 JKGA COc1cccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1OC/C=C/c1ccccc1 20274604 WDZNVHYHUQRVBG-UULUQNPASA-N 468.509 5.104 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1cccc(OCc2cccc3ccccc23)c1 622891 VGTWRVMYYGFPDN-SANMLTNESA-N 470.532 6.027 50 50 JKGA CC(C)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3Cl)NC3=C2C(=O)CCC3)cc1 1115485 MWUHSJFZBPTTIF-VWLOTQADSA-N 492.044 6.264 50 50 JKGA COc1cc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)ccc1OC(=O)c1ccccc1Cl 2543091 DMYZFXVPLAWJFG-RWPZCVJISA-N 480.948 5.220 50 50 JKGA CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CC(C)(C)C3)cc1 3666034 DKNGUFRGOWEHED-RUZDIDTESA-N 498.652 5.838 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@H]1c1ccc(Br)cc1 16676375 KKZXUZAALXCCRM-JOCHJYFZSA-N 467.388 5.350 50 50 JKGA Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4[nH]nc(-c5ccc(Cl)cc5)c43)cc2)cc1 20367363 MJQGEDYJFHPCIB-QHCPKHFHSA-N 468.944 5.836 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@H]4[C@@]34CC[C@]2(C1)OO4 257349363 NQOHVZFOGSDCDQ-WPBMTJSOSA-N 474.726 7.492 50 50 JKGA Cc1ccc([C@H]2C(C#N)=C(n3cccc3)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)s1 1432371 BONNHAKNKKADQU-HSZRJFAPSA-N 479.527 6.880 50 50 JKGA COc1ccc(/C=C2/CCCC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2OC)c(OC)c1 17143412 FUUBNJNDENGICH-NVEDVNMVSA-N 460.530 5.050 50 50 JKGA C/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 20562286 HTARNNOWABQFGZ-JOTRATHXSA-N 488.031 6.534 50 50 JKGA FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CI 95671273 GBDROMNKGSCMDH-UHFFFAOYSA-N 459.971 5.160 50 50 JKGA in-vitro Cc1ccc(SS/C(Cl)=N/C(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F)cc1 100299498 RYJIABYNFROGKH-YPXUMCKCSA-N 497.782 7.906 50 50 JKGA Cc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(Br)cc3)C3=C2CC(C)(C)CC3=O)cc1 705457 RYXYYEAGXZBDGN-JOCHJYFZSA-N 462.391 5.698 50 50 JKGA COC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2F)c(OC)c1 12402638 TXWGCEGZDWOMSV-VWLOTQADSA-N 474.488 5.168 50 50 JKGA Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C(F)(F)F)c2)cc1 20295613 UTOFUIUMCVXXFM-XDHOZWIPSA-N 470.878 6.792 50 50 JKGA CC1(C)[C@H]2CC[C@@]13[C@H](Cl)C(=O)[C@@H]3C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]1(C)[C@@H](O)C2 257358736 WCMMBNGYLSPLMX-OUTGOGLXSA-N 469.182 6.567 50 50 JKGA COc1ccc(NC(=S)NNC(=O)c2cccc(COc3ccc(C(C)C)cc3)c2)c(OC)c1 2795431 UBPADNQFNYJARW-UHFFFAOYSA-N 479.602 5.038 50 50 JKGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1cc2ccccc2nc1Cl 4210180 YAAHBQUWSXGIHM-LQKURTRISA-N 498.999 5.378 50 50 JKGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc3ccccc32)cc1 5350239 MTKIJRXTXMUPSB-LGJNPRDNSA-N 493.976 5.197 50 50 JKGA CCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl 102284538 YUVOKRWQJHFYPH-WGOQTCKBSA-N 493.829 6.522 50 50 JKGA CC(C)(C)[Si](C)(C)O[C@H]1[C@H]2O[C@H]3O[C@@H]([C@@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1O3 257358214 SETNUJLCPAWDRD-QVEDGQTKSA-N 484.665 5.028 50 50 JKGA COc1ccc(OC)c(N/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c1 2277330 RRVCZHVTVZVHIP-VKAVYKQESA-N 481.533 6.063 50 50 JKGA Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3cccc(Br)c3)s2)cc1 2340495 BXXZHTQCJJTHSO-UFFVCSGVSA-N 493.477 5.144 50 50 JKGA O=C/C(=C\Nc1ccc(Br)cc1)[C@@H](Nc1ccc(Br)cc1)c1ccco1 2532371 IIYGNVYPDSEHOW-CMQXMCPJSA-N 476.168 6.153 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(Br)c1)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])s1 12402327 CQKVXCICZGLKSR-IBGZPJMESA-N 499.390 5.360 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccc(Cl)cc1Cl 13208764 GNQPLSKMJCAPSS-LGJNPRDNSA-N 469.397 5.634 50 50 JKGA N#C/C(=C\c1ccc(COc2ccc(Br)cc2)o1)C(=O)Nc1sccc1C#N 20478715 LFQTXAJBCQQZIB-NTEUORMPSA-N 454.305 5.100 50 50 JKGA CCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(C)c2)cc1 102281953 NHMDSEIVDRKTDL-JJKYIXSRSA-N 464.650 7.365 50 50 JKGA N#CC1=C(n2cccc2)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@H]1c1ccsc1 1431979 MICTWXWCGSEBLU-QFIPXVFZSA-N 499.945 7.225 50 50 JKGA CC(C)Oc1cccc(-c2cc(C(=O)N/N=C/c3cccc(Br)c3)c3ccccc3n2)c1 2090009 WALFRVGIZBOPPU-LQKURTRISA-N 488.385 6.215 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(C)cc2)cc1 2531739 HIPWWFSRBODFGY-RDRPBHBLSA-N 452.510 5.530 50 50 JKGA O=C(NNC(=S)Nc1ccc(Br)cc1Cl)c1ccc(OC2CCCC2)cc1 2857939 FGNKVYPRWHYNKO-UHFFFAOYSA-N 468.804 5.055 50 50 JKGA CC(=O)C1=C(C)NC(SCc2ccccc2[N+](=O)[O-])=C(C#N)[C@H]1c1ccccc1Br 13882000 TVWAEOREKSLPIC-OAQYLSRUSA-N 484.375 5.576 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc(C)cc2)cc1 2531876 UXCMMPUKZWOOPQ-UXHLAJHPSA-N 482.536 5.295 50 50 JKGA O=C(Oc1ccc(/C=N/NC(=O)C2CCCCC2)c(OC(=O)c2ccccc2)c1)c1ccccc1 2542822 XAYJGYQSESVDPE-VUTHCHCSSA-N 470.525 5.155 50 50 JKGA CSc1ccc([C@@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)C3CCN4CC3)C3=C2C(=O)CCC3)cc1 12371893 ZOYWLLKIWRHEED-JOCHJYFZSA-N 499.665 5.344 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1cccc(OCc2ccccc2Cl)c1 20495152 LZQFUCXCXGEWGE-QFIPXVFZSA-N 489.362 6.181 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 4327603 ANYKOUHVKAJYPI-MZJWZYIUSA-N 487.339 5.384 50 50 JKGA N#CC1=C(n2cccc2)N(c2cccc(F)c2)C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 12360564 NFNOPQYKPBTIRK-RUZDIDTESA-N 453.473 5.359 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OC)cc2)cc1 102304036 NSMFVEIOCMWJOL-SGWCAAJKSA-N 452.595 6.285 50 50 JKGA Cc1ccc(C(=O)Nc2sc(/C(C#N)=C/c3cc(C)c(O)c(C)c3)nc2-c2ccccc2)cc1 170623680 HNLHIROTFMEQQQ-HZHRSRAPSA-N 465.578 6.757 50 50 JKGA O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Br)[C@@H](Br)c1ccccc1 1751353 YZCDLXPUEHWGSE-UONOGXRCSA-N 451.080 5.544 50 50 JKGA O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 2529598 QNCRLJRPLLSQFR-UXHLAJHPSA-N 470.956 6.115 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OC(=O)c1ccc(Cl)cc1 2585069 LURJJAMMHPXHBO-DHRITJCHSA-N 487.737 5.094 50 50 JKGA COc1ccccc1OCC(=O)N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1 4229661 QTYYAWHMZBHGNY-MZJWZYIUSA-N 494.956 5.312 50 50 JKGA O=C(N/N=C/c1cccc(Br)c1)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 5314416 IDBHAKLWXREEEK-CVKSISIWSA-N 475.346 5.182 50 50 JKGA CCCCCCCCCCCCCCCCCCNC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 101010768 NUXGKPGWEVZCAV-UHFFFAOYSA-N 476.662 6.800 50 50 JKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/[C@@](C=C=C(C)C)(CC)CCCC 102314961 GPSJXJPDOXTYTG-IXBAVSMISA-N 474.818 10.058 50 50 JKGA CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)cc1 1196695 XKUHJHNIHQWCJK-FYJGNVAPSA-N 461.949 5.778 50 50 JKGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1ccc(Cl)cc1Cl 1798426 JNVDCDGKWYWNDU-ZVBGSRNCSA-N 469.444 5.380 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1Cl 2573353 RREMSUCOSPBUBX-KBKYJPHKSA-N 482.150 6.283 50 50 JKGA CCS/C(Nc1ccccc1)=C(\C#N)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101122437 YLUCUMQGFODHOF-ZQHSETAFSA-N 465.582 6.538 50 50 JKGA COCO[C@H]1CC[C@@]2(C)C(=O)C[C@H]3CC=C(O[Si](C)(C)C(C)(C)C)[C@@H](C[C@H]2C1=O)C3(C)C 169832890 DQBVXOXRRPLNFM-YTMISCLOSA-N 464.719 5.892 50 50 JKGA CC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1ccccc1F)N2 229865880 RQWJLQMHPALCFV-FUWIRAOVSA-N 496.991 6.975 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2543023 KHJLWUYTSNNXOJ-VULFUBBASA-N 457.313 5.375 50 50 JKGA CCOc1cc(/C=N/NC(=O)[C@@H](C)Sc2nc(C)cc(C)n2)ccc1OCc1ccc(Cl)cc1 2907490 GRHFGYUKLQGWEC-BLNASNEQSA-N 499.036 5.355 50 50 JKGA C/C(=N/NC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccc(C)o2)cc1 8456199 ZMTMRYYYDKHDHZ-WGARJPEWSA-N 451.935 5.862 50 50 JKGA C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4c(=O)[nH]3)ccc2O1 9972314 UOKKRABQNZTVOE-IGCAKMCNSA-N 471.520 5.163 50 50 JKGA N#C/C(=C\c1ccccc1OCc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1 20522159 SCYDYXPXODRKJT-CJLVFECKSA-N 450.460 5.550 50 50 JKGA CCCCCCCn1c(=O)c(C(=O)N/N=C/c2cccc(Br)c2)c(O)c2ccccc21 100730601 QZUKMNADRCFZRQ-WGOQTCKBSA-N 484.394 5.204 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccccc3)n2-c2ccc(C)cc2)cc1 1834511 YNCHUQRHMXGLBF-RKUQBJHPSA-N 467.598 5.459 50 50 JKGA CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2078450 BTDADRGRMQTDOI-MZJWZYIUSA-N 487.339 5.140 50 50 JKGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccc(C)c(C)c2)c1 2531579 WTXFXJAXTHJKGF-MZJWZYIUSA-N 495.373 5.123 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc(OC)c3O)[nH]n2)cc1 102302098 NYZGUALYLUNNLL-OVVQPSECSA-N 464.566 5.294 50 50 JKGA COCCOCO[C@@H]1C=C2CC[C@H]3CCC(=O)C[C@@]2(C[C@H]1C)[C@@H]3O[Si](C)(C)C(C)(C)C 216467891 PRZVFUFBVMEGBV-LVPAPCOOSA-N 452.708 5.498 50 50 JKGA CO[C@@](CCP(=O)(c1ccccc1)c1ccccc1)(C(=O)c1ccccc1)c1ccccc1 1722107 OIVDQKVHFRFEEQ-GDLZYMKVSA-N 454.506 5.815 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3c(F)cccc3Cl)n2-c2ccc(C)cc2)cc1 1760780 CTXBSYGRMRQBRT-CCVNUDIWSA-N 493.995 5.586 50 50 JKGA CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2C)sc2c1CCCC2 1830571 VAZDRBQVBXRFAY-QNGOZBTKSA-N 487.625 6.065 50 50 JKGA N#CC1=C(N)N(c2cccc(Br)c2)C2=C(C(=O)CCC2)[C@H]1c1c(Cl)cccc1Cl 2103224 DJTLRUJXVUAJPM-LJQANCHMSA-N 489.200 6.061 50 50 JKGA COc1cc(C(=O)N/N=C/c2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc(OC)c1OC 2531480 QKJCWHDBGQBUGF-OCSSWDANSA-N 498.535 5.157 50 50 JKGA O=C(O)c1c(-c2ccc(CBr)cc2)cccc1-c1ccc(CBr)cc1 3121943 YGHVNSPBHKPTSX-UHFFFAOYSA-N 460.165 6.509 50 50 JKGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)[nH]n1 5314466 LHNKNSPLXWZLES-OKCVXOCRSA-N 496.954 5.932 50 50 JKGA N#CC1=C(n2cccc2)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@H]1c1cccnc1 1432896 PONLEEQVYKSFSD-QHCPKHFHSA-N 460.459 5.905 50 50 JKGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2521094 IIHKFEOHEDUZBP-ZKJHFGPLSA-N 491.758 5.784 50 50 JKGA Cc1ccsc1[C@H]1C(C#N)=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C1C(=O)CCC2 2188860 GPWZZCJTBRUXLE-NRFANRHFSA-N 460.628 5.563 50 50 JKGA CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccco1 2207044 SYLYMTXJTLMWLY-XMMPIXPASA-N 499.592 5.356 50 50 JKGA aggregator Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 4303177 USWXFLQYKPYJKG-ZXAKHJNPSA-N 486.955 5.938 50 50 JKGA CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OCc3ccccc3Cl)[nH]n2)cc1 5324830 OSSWASWVMXOKAL-LQKURTRISA-N 473.964 5.139 50 50 JKGA COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OCc4cccc(C)c4)cc2)C(C#N)=C(N)O3)cc1 623016 PENRPXYNCLIDLE-DEOSSOPVSA-N 464.525 5.191 50 50 JKGA CC1(C)CC(=O)C2=C(C1)NC(SCc1cc3c(cc1Cl)OCO3)=C(C#N)[C@@H]2c1cccs1 724049 MIIGYPWBZCIOEA-OAQYLSRUSA-N 485.030 6.129 50 50 JKGA N#CC1=C(n2cccc2)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@H]1c1ccsc1 1431980 UEMOHQNXCHZADC-QFIPXVFZSA-N 465.500 6.572 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(N)=C(C#N)[C@H]2c1ccc(Br)s1 1435783 FEJAJPLTUWAPDU-IBGZPJMESA-N 488.838 6.105 50 50 JKGA Cc1ccc(COc2ccccc2-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)n[nH]2)cc1 5318982 WBGKDFXLFMZCBV-OCSSWDANSA-N 476.536 5.587 50 50 JKGA CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)O)cc1 15685478 ACLMRDAIRGSXRF-MOSHPQCFSA-N 476.916 5.562 50 50 JKGA Cc1sccc1[C@@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2Cl)C2=C1C(=O)CC(C)(C)C2 16115336 NDVAAUVMCGLEIT-HXUWFJFHSA-N 468.966 5.559 50 50 JKGA CCOC(=O)c1c(NC(=S)NNC(=O)c2csc3c2CC[C@H](C)C3)sc2c1CCCCC2 20168496 JZYMLFGZTSDBSH-ZDUSSCGKSA-N 491.704 5.011 50 50 JKGA O=C(N/C(=C\c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 97966264 KEOZUIMUGKNRIQ-HMZBKAONSA-O 484.559 6.409 50 50 JKGA CC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1F)N2 229865872 RQWJLQMHPALCFV-BEGWYFQMSA-N 496.991 6.975 50 50 JKGA CC(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 2320623 FIQUBFMUDIXXJJ-WPWMEQJKSA-N 455.587 5.300 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccc(OC)c2)cc1 2531775 ZRDYTRJALRBXMG-RDRPBHBLSA-N 468.509 5.230 50 50 JKGA Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(OCc4ccccc4)cc3)cc2)cc1 2553653 QMJYHALIQDTRRV-UZLYPIQISA-N 494.591 6.071 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(-c3ccccc3)cc2)=C(C#N)[C@@H]1c1cccc(C)c1 2921776 QAMQIICYQGJXJQ-LJAQVGFWSA-N 478.617 6.563 50 50 JKGA O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1cccc(OCc2ccccc2)c1 4335845 DKQMAAQREQOZCK-NDZAJKAJSA-N 466.537 5.374 50 50 JKGA CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2ccc(Br)cc2)C2=C1C(=O)CCC2 5949777 ZUUGKQQVOIFLIT-IBGZPJMESA-N 486.460 5.927 50 50 JKGA CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 13231372 VVAADBMAPGSFJO-MTDXEUNCSA-N 471.630 5.173 50 50 JKGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)COc3ccc(-c4ccccc4)cc3)c2)cc1 2543158 ZCHPGTQGEZMODH-NDZAJKAJSA-N 480.520 5.111 50 50 JKGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccccc2Br)cc1 2934512 ZLSFKIBGNQVLNQ-CVKSISIWSA-N 459.347 5.374 50 50 JKGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1 2272998 GHKWRROBQAGMMB-JFLMPSFJSA-N 492.004 5.147 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2cccc(C)c2)cc1 2531915 PNGWRGKOLAZDKS-UXHLAJHPSA-N 482.536 5.295 50 50 JKGA Cc1cccc(OCC(=O)N/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)c1 4210357 AJNOKLGSPRBYCI-MZJWZYIUSA-N 478.957 5.611 50 50 JKGA Cc1ccsc1[C@@H]1C(C#N)=C(n2cccc2)N(c2ccc(F)c(Cl)c2)C2=C1C(=O)CC(C)(C)C2 12463216 ZUNROGVBRYQMAQ-HSZRJFAPSA-N 492.019 7.290 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2Cl)=C(C#N)[C@H]1c1ccccc1 16676335 CIKBJGDWXBHKCZ-JOCHJYFZSA-N 457.382 5.894 50 50 JKGA COc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 2325809607 NWVPZGMMZJCMSY-NDZAJKAJSA-N 480.520 5.257 50 50 JKGA C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 4303092 GAXSSAFKWWWAMR-HRJIBFCWSA-N 458.945 5.990 50 50 JKGA COc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2sc3cccc(Br)c3c2Cl)cc1 13321866 NREOQRHAHYNWNV-YSURURNPSA-N 489.782 5.480 50 50 JKGA COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 20394662 OXBRKCOKSMBZPG-BUVRLJJBSA-N 492.579 5.778 50 50 JKGA CC/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1ccc(O)cc1 55389428 AWZVJJAFMBQNRQ-XAYXJRQQSA-N 458.587 5.121 50 50 JKGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 718362 RSKXEKMBBJIFPK-BVZFJXPGSA-N 456.473 5.206 50 50 JKGA CCOC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccc(Cl)cc2Cl)=C(C)N1 1112702 IJGNTOXGINDUNC-FQEVSTJZSA-N 492.384 5.217 50 50 JKGA Cc1ccsc1[C@H]1C(C#N)=C(n2cccc2)N(c2ccc(C(F)(F)F)cc2)C2=C1C(=O)CCC2 1431997 NSEKRSCPIFRTSA-QFIPXVFZSA-N 479.527 6.880 50 50 JKGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)c1 4292550 CENHFDVTROZNPQ-NKZWWHGNSA-N 471.340 5.439 50 50 JKGA Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Br)c3)CC(=O)N2)c(C)c1 9110575 MMXWQVSXOHWEIF-SFHVURJKSA-N 484.419 5.085 50 50 JKGA COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccccc1 12393077 UENFWRDSJFVIML-GRSHGNNSSA-N 485.296 6.082 50 50 JKGA O=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(COc2ccc3ccccc3c2)o1 20534209 JHLUMCUMMYTRLH-UHFFFAOYSA-N 486.380 5.950 50 50 JKGA O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)cc1)c1cccc(Cl)c1 4210931 GPQCRNUVUFDALT-UXHLAJHPSA-N 484.939 5.902 50 50 JKGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OC(=O)c1ccc(F)cc1 20175853 VBKBYKOSZINBIT-QHCPKHFHSA-N 496.498 5.052 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)/C=C/[C@@H](C)C(C)C)CC[C@H]4[C@@]34CC[C@]2(C1)OO4 257347278 CFMKCUWPLCALSC-NOBMVRDKSA-N 470.694 7.189 50 50 JKGA O=C(N/N=C/c1cc(Cl)ccc1O)c1scc2c1NC(=O)C2(c1ccccc1)c1ccccc1 1875289838 UAWRMKKPTMCHPK-CCVNUDIWSA-N 487.968 5.158 50 50 JKGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4261213 IIOLKKKGRJGSEA-LQCVWJHPSA-N 482.511 5.630 50 50 JKGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc4ccccc4c3)cc2)c1 4335673 WNADMHLOBPVSAB-MJDZGMBVSA-N 452.510 5.285 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1cccs1 16676344 POQMLWBPRZXZSB-HXUWFJFHSA-N 463.411 5.956 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc3ccccc3c2)=C(C#N)[C@@H]1c1sccc1C 19759341 UTRUTIBAQLSEHG-DEOSSOPVSA-N 458.608 6.111 50 50 JKGA CCOC(=O)c1c(NC(=S)NNC(=O)c2csc3ccccc23)sc2c1CCCCCC2 20168512 IINQQYLTXOYLHQ-UHFFFAOYSA-N 487.672 5.430 50 50 JKGA O=C(N/N=C\c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12)c1cccc(Cl)c1 25783355 AJYZRFYUQAJONV-MBTHVWNTSA-N 463.320 6.130 50 50 JKGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(OCc2ccccc2F)cc1 718013 NYSGGFRKPIZDPS-IQGLISFBSA-N 456.473 5.206 50 50 JKGA COc1cc(/C=N/NC(=O)COc2cc(C(C)C)ccc2C)ccc1OC(=O)c1ccccc1Cl 2543064 SBVKQZKSQSUOFG-WKULSOCRSA-N 494.975 5.529 50 50 JKGA COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3O)nc3ccccc23)ccc1OC(C)C 20549989 AYHLNCWNLFYQQO-LQKURTRISA-N 455.514 5.167 50 50 JKGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 100647602 VOLKINWFFLGCQA-YZSQISJMSA-N 467.010 5.516 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)[nH]n2)cc1 102300493 ZMVGLLHFMZBJID-OGLMXYFKSA-N 487.431 6.887 50 50 JKGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)c1 2529646 DXNDWKKUDPNQTN-RWPZCVJISA-N 450.966 5.880 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccc(Br)c2)c1 2531523 OTZQCQRHDZKUAU-LQKURTRISA-N 487.353 5.894 50 50 JKGA C=CCOc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)cc1 2532186 RDRYUZXQKLXPPY-UXHLAJHPSA-N 484.939 6.041 50 50 JKGA CC(C)(C)c1cc(Br)cc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)c1O 2973584 SBVPKRPODDSRAN-CVKSISIWSA-N 451.364 5.883 50 50 JKGA CSc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 3663279 XJEKSAJLLMOIBD-JOCHJYFZSA-N 450.007 6.003 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1)c1cccc([N+](=O)[O-])c1 5402504 MCDYAWDFFXUOOS-JVWAILMASA-N 489.919 5.371 50 50 JKGA CC(C)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1 8618309 SYYNTQUQJNOUDW-RWPZCVJISA-N 477.033 6.104 50 50 JKGA COC(=O)[C@@H]1[C@H](Cl)C(Cl)=C(Cl)[C@@](Cl)(C(Cl)Cl)[C@@H]1C(=O)Nc1ccccc1 824121243 LLQDKSKOIVWRLI-KUEQOTSFSA-N 480.002 5.122 50 50 JKGA C[C@]12C[C@H](O[Si](C)(C)C)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(C#N)O[Si](C)(C)C 1772492736 XJMCXAZKIBJUJN-OLDNPOFQSA-N 473.806 6.462 50 50 JKGA CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CCC3)s1 2380193 UGFFRFAFEGBPBS-HSZRJFAPSA-N 488.682 6.162 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Cl)cc3Cl)n2-c2ccccc2)cc1 2699793 CBKWBAYHPRNWRV-MZJWZYIUSA-N 496.423 5.792 50 50 JKGA CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4Cl)cc3)[nH]n2)cc1 5314484 KBOAMHIRPVQWOX-LQKURTRISA-N 473.964 5.139 50 50 JKGA COc1cccc(/C(C)=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)c1 5352854 MWQOWXNNYWKIEL-OGLMXYFKSA-N 479.005 5.379 50 50 JKGA Cc1cc(C(=O)N/N=C/c2cc(Br)ccc2OCc2cccc(C(F)(F)F)c2)cs1 20352865 RHZXNRJAHSCHHW-NSKAYECMSA-N 497.336 6.181 50 50 JKGA Cc1cccc(C(=O)N[C@@H](NC(=S)Nc2ccc(Cl)cc2Cl)C(Cl)Cl)c1 100728914 DPBCCSKOEWFHOM-HNNXBMFYSA-N 451.206 5.148 50 50 JKGA O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2521137 APCZDMVOSCBSLC-UXHLAJHPSA-N 484.939 5.755 50 50 JKGA COc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)c1 4210381 PMPAXIMEVKRYGV-VULFUBBASA-N 464.930 5.546 50 50 JKGA COc1ccc2c(Cl)c(C(=O)N/N=C(\C)c3cccc(NC(=O)C(F)(F)F)c3)sc2c1 20158509 IOKGLWPWNGTCHU-NSKAYECMSA-N 469.872 5.218 50 50 JKGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3sc4cc(OC)ccc4c3Cl)cc2)cc1 25584263 ODUBYDSEABJEMV-MZJWZYIUSA-N 494.956 5.555 50 50 JKGA O=C1OC(=O)[C@H]2C(c3ccccc3)=C(c3ccccc3)C(c3ccccc3)=C(c3ccccc3)[C@@H]12 100441789 SDIBWMJFIDQLCK-RNPORBBMSA-N 454.525 6.538 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1c(F)cccc1Cl 13208773 KDHVYAMNHJFSDF-KKMKTNMSSA-N 487.387 5.773 50 50 JKGA COc1ccccc1/C(C)=N/N=C(\C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102310723 SPJPIDUPCQGKKN-UXPPBCCBSA-N 465.557 5.874 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](Br)C(=O)C[C@]4(C)[C@H]3CC[C@]12C 257347822 VIIVIWOTOXHLTG-KDGIRBTGSA-N 463.544 7.970 50 50 JKGA N#Cc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 2839928 GHQHVYJMIJNTSV-LUOAPIJWSA-N 492.251 5.129 50 50 JKGA O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc2ccccc12 4302722 BWDIASZSXSKGBV-LQKURTRISA-N 457.917 5.161 50 50 JKGA CC(C)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(C(F)(F)F)c3)=C2C#N)cc1 8973270 BZYIENVRAAGUSA-IBGZPJMESA-N 473.520 5.539 50 50 JKGA C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc(O)c4ccccc4n3)ccc2O1 16293558 UOKKRABQNZTVOE-CQHJRZBDSA-N 471.520 5.576 50 50 JKGA Cc1ccsc1/C=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 2328373 BVHUTJBGNJAAFB-UFWORHAWSA-N 455.055 5.096 50 50 JKGA CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2ccc(C)c(Cl)c2)C2=C1C(=O)CCC2 2381721 MLBBFJVBYNYMDL-JOCHJYFZSA-N 484.090 6.689 50 50 JKGA COc1cc(/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)ccc1O 13615863 SMQDLLQBBUCTRA-YVLHZVERSA-N 452.491 5.848 50 50 JKGA N#C/C(=C/c1ccccc1OCc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc(F)cc1 20494424 IJEAYVPIJMGASC-MOSHPQCFSA-N 454.423 5.647 50 50 JKGA CCOc1ccccc1C(=O)N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1 4210069 XLNVQBCVXMDZEA-JFLMPSFJSA-N 478.957 5.937 50 50 JKGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)cc4)c32)ccc1OCc1ccccc1 623044 NIUYDFBSTGTHSU-QHCPKHFHSA-N 484.943 5.536 50 50 JKGA COc1cccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c1OCc1ccc(F)cc1Cl 1120031 VGNKTIAPWRMKMU-UDWIEESQSA-N 457.910 5.405 50 50 JKGA COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 2597254 NJAUIRGLFWHIPH-LGJNPRDNSA-N 459.329 5.110 50 50 JKGA COC(=O)c1c(NC(=S)NNC(=O)c2oc3ccccc3c2C)sc(C)c1-c1ccccc1 2856168 ZAQGRULCDYHLNN-UHFFFAOYSA-N 479.583 5.196 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2)cc1 4258874 KPONJEBFGSJHOG-WGOQTCKBSA-N 481.346 5.221 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccccc1Br 13231415 CWPHADZTHFXMAW-AFUMVMLFSA-N 479.403 5.090 50 50 JKGA CN(C)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 13239769 FPCVTIGPFJOITL-JFLMPSFJSA-N 478.021 5.046 50 50 JKGA Cc1ccc(N2C(N)=C(C#N)[C@@H](c3cc(Br)cs3)C3=C2CC(C)(C)CC3=O)cc1 1057281 ALWMDFMYMPJAND-FQEVSTJZSA-N 468.420 5.760 50 50 JKGA CCOc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 2543237 KPKSLDPKIFUSAV-RDRPBHBLSA-N 452.510 5.530 50 50 JKGA O=C(CCCC[C@H]1CCSS1)NCCCNC(=O)CCCC[C@H]1CCSS1 3948482 QGUXZRFEKWOQQL-IRXDYDNUSA-N 450.761 5.037 50 50 JKGA in-vitro C/C(=N\NC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)[nH]n1)c1ccc(Cl)cc1 9013484 GSYHVEBYOTXNMR-LQKURTRISA-N 479.367 6.117 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@@H]1c1ccc(Br)cc1 16676374 KKZXUZAALXCCRM-QFIPXVFZSA-N 467.388 5.350 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 25783289 HBPVEJZBXHVASU-JVWAILMASA-N 489.919 5.371 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@@H]2c1c(F)cccc1Cl 9076544 MTUBAGMSLKUDGT-HXUWFJFHSA-N 466.900 5.328 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)c(Cl)c1)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])s1 12402295 HCFTWENDGCZSHH-LJQANCHMSA-N 489.384 5.904 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])s1 12402329 VNHAVAHQYGPGRO-IBGZPJMESA-N 488.491 5.616 50 50 JKGA COc1ccc(/C=N\NC(=O)c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1OC 33405290 WOMFJERGXWSFGB-MUXKCCDJSA-N 486.450 5.131 50 50 JKGA CCCC[Sn](CCCC)(CCCC)[C@H](I)CC(C)C 169836034 LICQSRXMZUVQHF-UHFFFAOYSA-N 487.098 7.224 50 50 JKGA C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@@]4(C)[C@H]3[C@H](Br)C(=O)[C@]12C 257358405 UBRJOFJFNRMMKB-GMZGPBNNSA-N 453.461 6.089 50 50 JKGA Cc1ccc([N+](=O)[O-])cc1N1C2=C(C(=O)CC(C)(C)C2)[C@H](c2cccs2)C(C#N)=C1n1cccc1 1432903 QBKULFQKLIPHAV-DEOSSOPVSA-N 484.581 6.406 50 50 JKGA CCc1ccc([C@@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)cc1 2188859 YRNMWOAWPRSULP-RUZDIDTESA-N 468.626 5.756 50 50 JKGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)ccc1OCc1ccc(Cl)cc1 2531174 CFKVXBMVJDXGAU-ZXAKHJNPSA-N 488.971 5.998 50 50 JKGA BrCc1ccc(-c2cccc(-c3ccc(CBr)cc3)c2Br)cc1 3123637 MUMPWBXYWSNHDC-UHFFFAOYSA-N 495.052 7.573 50 50 JKGA CCOc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(Cl)cc1 4287483 YKOBJOBYEBHGEJ-RWPZCVJISA-N 480.948 5.104 50 50 JKGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 4366508 MSBKISAZHKAIIB-RJGITAPLSA-N 450.538 5.850 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1c(Cl)cccc1Cl 13208762 HAIHXIUHRSOIDV-LGJNPRDNSA-N 469.397 5.634 50 50 JKGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccc(Br)cc3)nc3ccccc32)cc1 13239270 PYESSTXGJDQTTJ-VULFUBBASA-N 493.430 5.398 50 50 JKGA C=C1[C@@H](C/C=C(\C)CCC2OCCO2)CC[C@H](C)[C@@]1(C)CC[C@H](Br)C(=O)OC(C)(C)C 43762838 LPYFRRDZCXVMLU-KYLPBTCNSA-N 499.530 6.970 50 50 JKGA COc1ccc(OC)c(-c2c([C@H]3c4ccccc4C(=O)N3CCCl)c3ccccc3n2C)c1 334163469 UBPZQKMVRVCNLX-AREMUKBSSA-N 460.961 5.647 50 50 JKGA CCc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)C(C(C)=O)=C(C)N2)cc1 1199370 JOUUEDXXTJDLAO-DEOSSOPVSA-N 450.991 5.803 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OCc4ccccc4)cc3)cc2)cc1 2542652 VNUIPOMAGBWFLX-AJBULDERSA-N 494.547 5.647 50 50 JKGA O=C(COc1cccc(Cl)c1)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 2553523 SJBDJBICZUOFIO-RPPGKUMJSA-N 477.731 5.395 50 50 JKGA CCCCN(CC)C[C@H](/C(C)=N/NC(=O)OC)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 102308365 NFSLTZOYMBCKMZ-RDCJOCBRSA-N 493.604 5.101 50 50 JKGA CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(C(=O)O)c2)[C@H](CO[Si](C)(C)C(C)(C)C)C1 1384380585 AQONPKQJLXOCGJ-ROUUACIJSA-N 467.654 5.886 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccc(OCc2ccccc2)cc1 623029 FNYUZYSKZXLECW-JOCHJYFZSA-N 454.917 5.527 50 50 JKGA COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccccc1[N+](=O)[O-] 959355 WHUJNWDVNDIAPG-LDADJPATSA-N 464.861 5.305 50 50 JKGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 2521693 ZMMLDHGOINETLP-WKULSOCRSA-N 493.346 5.895 50 50 JKGA CCc1ccc([C@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3Cl)C3=C2C(=O)CC(C)(C)C3)s1 6284186 UBNPBCMERSGWBA-OAQYLSRUSA-N 482.993 5.813 50 50 JKGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(OCc4ccc(Cl)cc4)cc3)n[nH]2)cc1 25783118 RZFNPCXHYYRYPT-OGLMXYFKSA-N 474.948 5.472 50 50 JKGA COC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cnc2cc(CO[Si](C)(C)C(C)(C)C)oc2c1 169794238 WACXTLNTNYCVSK-XZOQPEGZSA-N 480.681 5.738 50 50 JKGA in-vitro Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(-c2ccccc2)cc1 2855173 JXSXJLGUTSGTLI-JJIBRWJFSA-N 451.957 6.960 50 50 JKGA O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 4232075 VJRLTNGOSGZBMX-WYMPLXKRSA-N 482.776 5.212 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 5403045 XFGAEWLWWKTEGN-JVWAILMASA-N 493.976 5.279 50 50 JKGA Cc1ccc(N2C3=C(C(=O)CCC3)[C@@H](c3cccnc3)C(C#N)=C2n2cccc2)c([N+](=O)[O-])c1 12447358 YYGFYCDPGDISEB-DEOSSOPVSA-N 451.486 5.103 50 50 JKGA N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)NC1CCCCC1 22185000 CDFXMOIDTFRRRP-GDNBJRDFSA-N 493.869 6.415 50 50 JKGA CSc1nc(-c2ccc(C)cc2)[nH]c(=O)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100855320 QDBWFUNAQTUBJB-UHFFFAOYSA-O 493.592 5.087 50 50 JKGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(C)cc2)cc1 102294969 LFWFHRQBMPNJLE-NJZRLIGZSA-N 493.648 5.701 50 50 JKGA N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(Br)c1 680015 SPXHSHLZLPTISC-UQBPGWFLSA-N 497.396 5.543 50 50 JKGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)c(Cl)c1 2584979 TYNCMOLSZSVBQY-KBKYJPHKSA-N 482.150 6.283 50 50 JKGA COc1ccccc1-c1cc(C(=O)NNC(=O)Nc2ccccc2C(F)(F)F)c2ccccc2n1 2855037 LGWMKKUUPCDGPE-UHFFFAOYSA-N 480.446 5.396 50 50 JKGA CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1 4292578 RCSPVYGKKABEEN-HVAQTUQNSA-N 487.383 5.889 50 50 JKGA COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8854544 IIMHAOSQKMHCQP-XNTDXEJSSA-N 480.402 6.355 50 50 JKGA CCCCCCCCC(=O)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12 102283099 FQHSRMWVUAYZDN-UXHLAJHPSA-N 499.438 7.567 50 50 JKGA CC(C)(C)[Si](O[C@H]1CCc2c1ccc1ccc(C=O)cc21)(c1ccccc1)c1ccccc1 169838300 HSAGEGLKFSOWCS-LJAQVGFWSA-N 450.654 6.216 50 50 JKGA COCO[C@@H]1C=C[C@@]23[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]2C2(C[C@H]3C1)SCCCS2 257359221 ZAVFGPCXPDNXRS-KOVVAJLHSA-N 456.790 6.309 50 50 JKGA COc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3I)n2)cc1OC 1191015 ODGGEKZUZAZVQI-SDNWHVSQSA-N 489.338 5.408 50 50 JKGA COc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1 4210260 UDNWSQQDGGSJTR-VULFUBBASA-N 464.930 5.546 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3Cl)cc2)cc1 4347240 VOYKLHJEJYKSHY-OGLMXYFKSA-N 480.948 5.267 50 50 JKGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(-c4ccccc4)cc3)c2)cc1 4360353 DFUYKYLKOIDJQK-KCUTWZHFSA-N 494.547 5.499 50 50 JKGA BrCCCCCCC1(CCCCCCBr)c2ccccc2-c2ccccc21 138716771 AOOFABZRPOCKKZ-UHFFFAOYSA-N 492.339 8.644 50 50 JKGA CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@H]4Br)cc2)cc1 239439223 ZPOPXAWDGVHMBH-VXAPCQRLSA-N 484.390 5.286 50 50 JKGA CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)C[C@@H](c1ccccc1)C2 1440787 VBWITZSAPVJGSN-GAJHUEQPSA-N 478.687 5.393 50 50 JKGA Brc1ccc([C@@H](Br)[C@H](Br)c2ccccc2Br)cc1 2167745 BBJOOAHOFKXTJW-ZIAGYGMSSA-N 497.850 6.784 50 50 JKGA CC/C(=N\NC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12)c1cc(O)ccc1O 13321458 NWEDYIBIKUBORX-SGWCAAJKSA-N 490.357 5.620 50 50 JKGA O=C(COc1ccc2ccccc2c1)N/N=C/c1cccc(OCc2cccc(C(F)(F)F)c2)c1 13322063 RFTFZWDWZHIVMU-WCMJOSRZSA-N 478.470 5.967 50 50 JKGA C/C(=N\NC(=O)C1c2ccccc2Oc2ccccc21)c1cccc(NS(=O)(=O)c2ccccc2)c1 17143435 ACFNQNGIJTWXSY-VUTHCHCSSA-N 497.576 5.265 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 102279904 FESVNOMKEYEPRG-VFCFBJKWSA-N 457.014 6.930 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)CC[C@@H](C)C(C)C)CC[C@H]4[C@@]34CC[C@]2(C1)OO4 257347808 VGXFJJGBIOGXFM-BJMLXSLWSA-N 472.710 7.413 50 50 JKGA O=C(NNC(=S)Nc1ccc(Br)cc1)c1sc2cccc(F)c2c1Cl 1121740 FFYUKZOQQZIANR-UHFFFAOYSA-N 458.765 5.088 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@H]2c1cc(Br)cs1 1435827 OTAPSMKMVLKGQP-IBGZPJMESA-N 499.390 5.360 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C2CCCCC2)cc1 2542841 LRAIPFNBYUERCY-MFKUBSTISA-N 473.367 5.097 50 50 JKGA C=CCc1cccc(/C=N/NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2Br)c1O 2903331 VHDNAJPUUUZOSA-XYCMHOAJSA-N 467.363 5.344 50 50 JKGA N#CC1=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 3665044 HJLZVAVZZHHWFW-QHCPKHFHSA-N 485.569 5.102 50 50 JKGA COc1ccc(/C=C2/CCCC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC 19841693 BVCLYSPLOMWMFS-TYGINLCQSA-N 460.530 5.050 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3c(Cl)cccc3Cl)n2-c2ccccc2)cc1 1743574 GFUSQXAFXZNOMD-MZJWZYIUSA-N 496.423 5.792 50 50 JKGA C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 4283335 OFGUEZCFLLVNJX-HJHSVFMCSA-N 458.945 5.990 50 50 JKGA COc1cc(/C=C(/C#N)c2ccc(F)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 12364109 PMULBCQYWCYDOD-ZDLGFXPLSA-N 483.293 6.148 50 50 JKGA CCOc1cc(/C=C(/C#N)c2cccc(Br)c2)ccc1OCc1ccc(C(=O)O)o1 12364216 CLPXSCYMIYGKOJ-YVLHZVERSA-N 468.303 5.782 50 50 JKGA N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)c1ccc(Br)cc1 16399442 OGAZXFRNTXKYQE-BOPFTXTBSA-N 485.740 6.323 50 50 JKGA Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4[nH]nc(-c5ccc(Cl)cc5)c43)c2)cc1 20367386 WNUXYUDWEZKDMI-QHCPKHFHSA-N 468.944 5.836 50 50 JKGA CCCCSc1oc(-c2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97976877 SADKJNKRGPCEKK-UHFFFAOYSA-N 494.620 6.853 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OCC)cc2)cc1 102282866 HRNVQJJDFAXBDR-QUPMIFSKSA-N 466.622 6.676 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 713530 OODXKNLPSINJQN-OAQYLSRUSA-N 482.462 5.554 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@H]1c1ccc(OCc2ccccc2F)cc1 970229 XGIJEDXJBUYKAM-QFIPXVFZSA-N 456.452 5.152 50 50 JKGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1 1148196 CVUJFFMRHSZHNQ-OAQYLSRUSA-N 485.765 5.496 50 50 JKGA N#CC1=C(N)N(c2sc3c(c2C#N)C2CCN3CC2)C2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1 12428705 ZNGFDLSFINHCJA-NRFANRHFSA-N 488.016 5.275 50 50 JKGA COc1cc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1OC(C)=O 19760770 BJJNTJLKTDPYNM-IQGLISFBSA-N 462.933 5.159 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](Br)C[C@]4(C)[C@@H]3CC[C@]12C 257355887 DHZKAQAKUFROMZ-GODXBJHKSA-N 465.560 8.050 50 50 JKGA CSc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 1827201 BTNKAOATXAYRGM-UFFVCSGVSA-N 481.093 5.448 50 50 JKGA CCOc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(OCC)cc3)ccc3ccccc23)cc1 2531837 WHYQNTFJIMQASB-NDZAJKAJSA-N 482.536 5.620 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1cccc(Br)c1 2584771 FPPKRAVYBGTXPO-ZMOGYAJESA-N 457.711 5.086 50 50 JKGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(COc2cccc(Br)c2)o1 2769745 VLJJXSBTTCKEEW-FQEVSTJZSA-N 469.335 5.072 50 50 JKGA C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 4261025 MKXQQRCRNWTHSY-BRVWEASZSA-N 488.543 6.130 50 50 JKGA CCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)[nH]n1 9375181 JUVYZDAOZWWNGU-LQKURTRISA-N 474.948 5.472 50 50 JKGA c1ccc(P(CCCCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 2140924 GPORFKPYXATYNX-UHFFFAOYSA-N 454.534 6.813 50 50 JKGA biogenic,in-vitro O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1 4259169 PLTWGAAVOQPHQW-XQXQFYKFSA-N 483.749 5.485 50 50 JKGA Cc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 4260319 BWHRKFSCOJCVOR-UZWMFBFFSA-N 486.575 6.191 50 50 JKGA CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1OC 8763608 KHTDBRQKEIUNOF-XDHOZWIPSA-N 458.539 6.168 50 50 JKGA Cc1ccc2[nH]c(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(C(=O)O)cc4)c(Cl)c3)nc2c1 9934911 YFZHGNHMLDONPG-NVMNQCDNSA-N 478.335 6.520 50 50 JKGA Cc1ccccc1OCC(=O)N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12 2532296 KQFIMDTUKHNNNX-MUFRIFMGSA-N 472.928 5.550 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccc2ccccc2c1 4518242 VMVKKTZGZXXQDL-MWAVMZGNSA-N 491.620 6.028 50 50 JKGA CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2ccccc2[N+](=O)[O-])C2=C1C(=O)CC(C)(C)C2 16115004 WWGNUGGWMJNASC-HXUWFJFHSA-N 480.615 5.709 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 20457155 NSENTKFDILKYNG-JOCHJYFZSA-N 489.362 6.181 50 50 JKGA N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1)C(=O)NCCc1ccccc1 20522162 IFCGUKJZWXWFDW-JJIBRWJFSA-N 466.972 5.518 50 50 JKGA COC(=O)[C@]12C(=O)C[C@H](Sc3ccccc3)C(C)(C)[C@H]1CCC[C@H]2O[Si](C)(C)C(C)(C)C 169835227 CABFEEXBAPFLEM-QSAXNBNMSA-N 476.755 6.496 50 50 JKGA C=C(C)Cn1c(SCC(=O)N/N=C/C=C/c2ccccc2)nnc1-c1ccc(Br)cc1 2385208 VUPKSIPRNIXBRW-HQUXDSKKSA-N 496.434 5.191 50 50 JKGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1 4209313 UWEGBERRJCNOSW-LGJNPRDNSA-N 457.313 5.050 50 50 JKGA CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccc(Cl)cc4)cc3)[nH]n2)cc1 9375328 SRHDEXUFNUPCLL-LQKURTRISA-N 473.964 5.139 50 50 JKGA C[C@H]1C[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@@H]2C[C@@H]1C(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C 257357181 MNCVCNBVIQWHLW-ZUIATWBTSA-N 496.786 5.001 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H](O)[C@H](Br)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 257358979 XSXHTVGXMMGURA-HGXVSRHYSA-N 483.575 6.813 50 50 JKGA N#CC1=C(n2cccc2)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 1432034 FSXDBZUFYYZINV-VWLOTQADSA-N 480.480 5.128 50 50 JKGA CCOc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OCc1ccccc1 2388522 PZOPTIQKGZPXNB-MFKUBSTISA-N 453.336 5.191 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)c1 2531518 PEDBYFVOCKNOGT-MUFRIFMGSA-N 485.927 5.110 50 50 JKGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)[C@H](C)Oc3ccc(-c4ccccc4)cc3)c2)cc1 4360352 DFUYKYLKOIDJQK-NIKULWCKSA-N 494.547 5.499 50 50 JKGA O=P(c1ccccc1)(c1ccccc1)C(c1ccccn1)P(=O)(c1ccccc1)c1ccccc1 17595871 FHYIILFIEINZOX-UHFFFAOYSA-N 493.483 6.108 50 50 JKGA COc1ccc(-c2cc(C(=O)N/N=C/c3c(Cl)cccc3Cl)n(-c3ccccc3)n2)cc1 25559280 UMCWTMQQFHDLOH-JFLMPSFJSA-N 465.340 5.619 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3c(Cl)cccc3Cl)nnc2-c2ccccc2)cc1 2269270 NEYBMOYJPRMMNJ-MZJWZYIUSA-N 496.423 5.792 50 50 JKGA N#C/C(=C\c1ccc(Cl)cc1Cl)c1ccc(/C(C#N)=C/c2ccc(Cl)cc2Cl)cc1 2549201 QINAUYGCCOGPBI-LQGKIZFRSA-N 470.186 8.429 50 50 JKGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)cc1 4210736 XIJREACTQPUAJU-NKZWWHGNSA-N 471.340 5.439 50 50 JKGA CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2ccc(Br)cc2)C2=C1C(=O)CCC2 9981652 QYIWJLJQXMMVLD-IBGZPJMESA-N 486.460 5.846 50 50 JKGA COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(COc3ccc(Cl)c(Cl)c3)o2)cc1 20248697 HUIVWPMMHIFEBM-MHWRWJLKSA-N 457.313 5.397 50 50 JKGA O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccccc1)N2 229971458 GEQGUCRYYIPLPX-FPVDIDMMSA-N 480.973 6.332 50 50 JKGA C=CCOc1ccccc1/C=N/NC(=O)c1cc(Br)ccc1OCc1ccccc1 2506293 PCEXZZVILHIWNL-WGOQTCKBSA-N 465.347 5.357 50 50 JKGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)c1 2569220 HDVDUBYMAHCOTQ-FDAWAROLSA-N 480.564 6.020 50 50 JKGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3sc4ccccc4c3Cl)cc2OC)cc1 4230039 ZTLNRYHBAAUEBH-MZJWZYIUSA-N 494.956 5.555 50 50 JKGA C/C(=N/NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 20562289 HTARNNOWABQFGZ-XNAITOFYSA-N 488.031 6.534 50 50 JKGA N#C/C(=C\c1ccc(OCCOc2ccc(C3CCCCC3)cc2)cc1)C(=O)NCc1ccco1 22228915 BHNMLJDMKNNIFT-NCELDCMTSA-N 470.569 6.008 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1)C(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 1057067 XRPAAEULWKOIJN-NRFANRHFSA-N 493.361 5.298 50 50 JKGA COc1cccc(/C=N/NC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc23)c1OC 2090588 SASZJIWPIQKUFM-JFLMPSFJSA-N 490.357 5.445 50 50 JKGA Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 2391625 CSYSTUNUBFPXBQ-CCVNUDIWSA-N 492.366 5.243 50 50 JKGA COc1ccc(OCC(=O)N/N=C/c2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)cc1 2532320 KZQFPKGZNJRFSK-MUFRIFMGSA-N 488.927 5.250 50 50 JKGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 2543144 GJKIIJIUJPHULW-RWPZCVJISA-N 464.949 5.520 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCC)cc3)cc2)cc1 4296342 FTAJQVNBCNFUQJ-TURZUDJPSA-N 460.530 5.247 50 50 JKGA CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1[N+](=O)[O-] 12343145 HVNMALVLXZRVGD-IOHNEDGOSA-N 495.576 5.622 50 50 JKGA Brc1ccc([C@H](Br)[C@H](Br)c2ccc(Br)cc2)cc1 100179996 QDTHKFDPVVIAGR-OKILXGFUSA-N 497.850 6.784 50 50 JKGA COc1ccc(/C=N/NC(=O)c2cc(-c3cccc(OC(C)C)c3)nc3ccccc23)c(OC)c1OC 2089976 UPRVKUCPTIWYHO-OCSSWDANSA-N 499.567 5.479 50 50 JKGA CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OC(=O)c1ccc(Cl)cc1 2553097 HYUUHVZMIPYQHV-UXHLAJHPSA-N 486.955 5.804 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccccc1Cl)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])s1 12402354 GTCWMJAOHWDPTK-LJQANCHMSA-N 454.939 5.251 50 50 JKGA Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(I)cc1 15684772 KKRVJIRIFIBRGD-ATVHPVEESA-N 485.300 5.384 50 50 JKGA CCCCCCCCCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1OC 102287836 RTWXCFTXMPTHJX-LHLOQNFPSA-N 467.492 7.389 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCc2ccc(Cl)cc2)N1 1902408 BVPUKXWVNNPKEK-HSZRJFAPSA-N 478.042 6.670 50 50 JKGA O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1ccccc1OCc1ccccc1 1994571 WMZUUBQOVJFAKT-NDZAJKAJSA-N 466.537 5.374 50 50 JKGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/C=C/c1ccco1 2252522 LDISEEMYQPSFHU-WFAHUBIASA-N 463.950 5.088 50 50 JKGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/C=C/c1ccco1 2341662 JPAPBIKFHUBPPL-WFAHUBIASA-N 463.950 5.088 50 50 JKGA O=C(Oc1ccc2ccccc2c1/C=N/NC(=O)[C@H](O)c1ccccc1)c1ccc(Cl)cc1Cl 2553312 PPBJCLXIPIOEMT-PKEXHZLISA-N 493.346 5.550 50 50 JKGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccc(OCc2ccc(Cl)cc2)cc1 2576160 RFQXCQVLSQLTHY-UXHLAJHPSA-N 470.956 6.262 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)Nc2nc3ccccc3s2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 2593559 FWEIHMQSCZZUGA-QFIPXVFZSA-N 495.029 5.607 50 50 JKGA aggregator Cc1ccsc1[C@@H]1C(C#N)=C(N)N(c2sc3c(c2C#N)CCCC3)C2=C1C(=O)CC(C)(C)C2 3669829 LUMAMIGEWHHKHL-OAQYLSRUSA-N 474.655 5.809 50 50 JKGA C/C(=N\NC(=O)c1sc2cc(F)ccc2c1Cl)c1ccc(NC(=O)c2cc(C)on2)cc1 8454778 SCQBJSBEZAUMJE-RPPGKUMJSA-N 470.913 5.397 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 16676325 QCDWTDBBQGOAGZ-JOCHJYFZSA-N 467.934 5.149 50 50 JKGA C/C(=N/NC(=O)c1ccc(COc2ccccc2Cl)o1)c1ccc(NC(=O)C(F)(F)F)cc1 20572465 ZWQVVXUOFMKACK-QDTIIGTASA-N 479.842 5.167 50 50 JKGA CCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)c(OC)c1 102291138 QYVGLSUZUXVWFC-YZSQISJMSA-N 489.410 5.878 50 50 JKGA O=C(Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 239174212 PNNNISKKHJTMNW-PSWKNJSVSA-N 497.172 5.295 50 50 JKGA CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OC(=O)c1ccc(OC)cc1 4296383 AUIVOVSXTIBMRG-NDZAJKAJSA-N 482.536 5.159 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1ccccc1F 13239670 QAVITPIEJQZXMI-LGJNPRDNSA-N 452.942 5.120 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3sccc3C)n2-c2ccc(C)cc2)cc1 1815243 WMNOPRPNYAAPEV-AFUMVMLFSA-N 461.616 5.163 50 50 JKGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)c([N+](=O)[O-])c1 3139582 ACJGKUSYFWRERZ-RWPZCVJISA-N 477.561 5.697 50 50 JKGA O=C(N(/N=C/c1ccccc1)c1ccccc1)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 8854883 QWSKOQBQEKOVKZ-NDZAJKAJSA-N 475.375 6.297 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)[nH]n1)c1ccc2ccccc2c1 9109492 OVSMPRNLPXHTTM-ZCTHSVRISA-N 494.982 6.616 50 50 JKGA COc1ccc2[nH]c(/C(C#N)=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)nc2c1 9934931 ZTJFDUBFNYMCLI-APSNUPSMSA-N 495.322 6.430 50 50 JKGA CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(F)cc1 20168610 ZGMGJGPNWQXFDB-OQLLNIDSSA-N 452.511 5.123 50 50 JKGA Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NNC(=S)Nc3ccc(C)c(C)c3)o2)c1 20357287 GPKMHLBUPNTTBV-UHFFFAOYSA-N 451.592 5.539 50 50 JKGA COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1cccc(F)c1 22184906 DYVNNZVHLIQMHV-RQZCQDPDSA-N 452.869 5.318 50 50 JKGA COC(=O)[C@@H]1[C@H](Cl)C(Cl)=C(Cl)[C@](Cl)(C(Cl)Cl)[C@@H]1C(=O)Nc1ccccc1 105289127 LLQDKSKOIVWRLI-MLQVYSHPSA-N 480.002 5.122 50 50 JKGA COc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2584726 WSXKDUBXIXNFOK-UVHMKAGCSA-N 487.339 5.059 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)[nH]n1)c1ccc(N)cc1 8565001 KFRVHGZSBXWVMY-LQKURTRISA-N 459.937 5.045 50 50 JKGA COc1ccccc1/C=C/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1 13239164 ZCXAGOGICNIKSO-AWRNBQGKSA-N 470.598 5.309 50 50 JKGA N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1nc2ccccc2[nH]1 16400132 TVNCDPZOYICHQA-BOPFTXTBSA-N 475.302 5.877 50 50 JKGA COc1ccc2cc(/C=C(\C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)c(Cl)nc2c1 16511353 ILPXLFJNKPPDOZ-RQZCQDPDSA-N 471.925 6.191 50 50 JKGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)cc4)c32)ccc1OC(=O)c1ccccc1 20228556 LXOSZZNFVAVXON-JOCHJYFZSA-N 498.926 5.176 50 50 JKGA C/C(=N/NC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2cccc(F)c2)c1 20568795 WQTXVJPUASVZAC-ZGJRVPHQSA-N 471.576 6.019 50 50 JKGA CCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 102309556 QMLPSIDBNBRZBG-WPWMEQJKSA-N 471.022 6.975 50 50 JKGA O=C(NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1sc2ccccc2c1Cl 252679966 UESTVEXFSZKISV-UHFFFAOYSA-N 460.298 6.140 50 50 JKGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 2543150 VSAZCLXUUCXSTL-BRJLIKDPSA-N 492.156 5.739 50 50 JKGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)cc1F 9472381 RNGDJSCCQGXLLD-QGOAFFKASA-N 452.514 6.361 50 50 JKGA Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CCCC3=O)N2)c1 13174264 HWDXVAWEMOYPAW-XMMPIXPASA-N 478.017 5.758 50 50 JKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1coc2ccccc2c1=O 102316027 KGWQVNHYKNAPJL-QUPMIFSKSA-N 454.655 7.505 50 50 JKGA C/C(=N\NC(=O)c1cccc(OC(F)(F)C(F)F)c1)c1ccc(NC(=O)c2ccc(C)o2)cc1 668593 ZAHMARZMCKCJFE-IPPBACCNSA-N 477.414 5.231 50 50 JKGA Cc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3F)C3=C2C(=O)CCC3)c(C)c1 1111893 YSXBLGBOJHSNBL-QFIPXVFZSA-N 466.354 5.510 50 50 JKGA CC(C)(C)c1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccccc3)n2-c2ccccc2)cc1 2318153 ALCDWJNFNAJBEH-ZYXYRJHXSA-N 495.652 6.139 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccccc3)nnc2-c2ccccc2)cc1 2704739 MLOPJBCBWZKBLH-YWQNRBPGSA-N 453.571 5.150 50 50 JKGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(-c4ccccc4)cc3)cc2)cc1 4229770 KNSSUFAZTUSZAI-IKQNMSGQSA-N 478.548 5.799 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc(C)c(C)c2)cc1 2531825 LOAVDGRYMWGEPD-FDAWAROLSA-N 496.563 5.604 50 50 JKGA N#C/C(=C\Nc1cccc(Br)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 9404945 VAAIQDJBUFQZAO-HMMYKYKNSA-N 458.384 7.216 50 50 JKGA C=CCSc1oc(-c2ccco2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 49766475 XROSULDELJKEIB-UHFFFAOYSA-N 468.538 5.832 50 50 JKGA COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccccc1 2276650 DYSVMDJEOKWMBO-AFUMVMLFSA-N 463.584 5.126 50 50 JKGA COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)ccc1OCc1ccc(Cl)cc1 2597250 BDNHERUPYHNZSI-WKULSOCRSA-N 480.992 5.889 50 50 JKGA O=C(NNC(=S)Nc1cccc2ccccc12)c1ccccc1COc1ccc(F)cc1F 2794003 JFSFWJRNVMCVBN-UHFFFAOYSA-N 463.509 5.328 50 50 JKGA CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccccc1)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 12250224 SNTNTXGRQPUHEZ-QHCPKHFHSA-N 488.569 5.032 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1ccc(F)cc1 13239706 OAJSVRBTVAXDAJ-LGJNPRDNSA-N 452.942 5.120 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 102264779 UOQHAJHMEKOYJD-VFCFBJKWSA-N 457.014 6.930 50 50 JKGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 102310049 TVJYNTMHHLKZQZ-LQKURTRISA-N 486.355 5.298 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1ccc(OCc2ccccc2F)cc1 970228 XGIJEDXJBUYKAM-JOCHJYFZSA-N 456.452 5.152 50 50 JKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/[C@](C=C=C(C)C)(CC)CCCC 102314960 GPSJXJPDOXTYTG-CYPQLAEISA-N 474.818 10.058 50 50 JKGA CC(/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)=C\c1ccco1 2266235 NCHYDMAUNMBSQW-JODQWXPZSA-N 457.559 5.133 50 50 JKGA COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)c(Br)cc1OCc1ccccc1 16383916 XWCRIBLBVPVPQF-ODLFYWEKSA-N 474.358 6.286 50 50 JKGA C/C(=N/NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 22063899 VCWXLGAMONAJQH-ANRJHXBRSA-N 466.368 5.890 50 50 JKGA C[C@@H]([C]1[CH][CH][CH][C]1P(C1CCCCC1)C1CCCCC1)P(c1ccccc1)c1ccccc1 100032583 CEZWURVNWRUWOG-VWLOTQADSA-N 473.601 8.388 50 50 JKGA C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=C(CC)c1ccccc1 245240988 WBXNMIBLHUAUEX-KRWDZBQOSA-N 483.041 5.141 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1cccs1 5351733 XSYRGCRCYVNTJB-MFKUBSTISA-N 455.008 5.432 50 50 JKGA Clc1cc(Cl)c2c3c1[C@H](Cl)[C@H](Cl)c1c(Cl)cc(Cl)c(c1-3)[C@@H](Cl)[C@@H]2Cl 100480814 HLOGUCPTNQWBOD-FPCVCCKLSA-N 481.848 9.114 50 50 JKGA C/C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=N\N=C(c1ccccc1)c1ccccc1 102312004 WNNZGGRBHFHBOS-AWQADKOQSA-N 497.602 6.894 50 50 JKGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccccc1Cl 1753521 WLPSJMGCOYJFSU-VULFUBBASA-N 482.396 5.484 50 50 JKGA N#C/C(=C\c1cn(Cc2ccc(F)cc2Cl)c2ccccc12)S(=O)(=O)c1ccccc1 2851148 KRQLMFJWBCRBNQ-CIAFOILYSA-N 450.922 5.820 50 50 JKGA COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1 9235347 AGAPABPRIOERJL-UDWIEESQSA-N 454.486 5.740 50 50 JKGA O=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2 16662426 TXISVFDJCQSZEZ-RAWMCFOBSA-N 489.200 6.040 50 50 JKGA C=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)OC 101010987 ROWYENUNKPKUAA-UHFFFAOYSA-O 452.514 5.393 50 50 JKGA CC/C(CC(=O)CCC(=O)Nc1ccc(C)c(C)c1)=N\NC(=O)c1c(O)ccc2ccccc12 102300089 DYQJRQXGVFUIRA-ZTKZIYFRSA-N 459.546 5.036 50 50 JKGA COC(=O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@]34CC[C@@]5(C[C@H](OC(=O)c6ccccc6)CC[C@@]5(C)C3=CC[C@]12C)OO4 257350117 UUHHCZJOUIVZEG-RUTCVOCPSA-N 494.628 5.807 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Br)cc2)=C(C#N)[C@@H]1c1sccc1C 1199126 MSBRECRSZNYKTP-FQEVSTJZSA-N 487.444 5.720 50 50 JKGA CN(C)c1ccc([C@H]2C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 2089819 AKOTWWOOWGNISC-KMRXNPHXSA-N 495.026 6.104 50 50 JKGA C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4209281 KSUOBQKLLZDWNX-SVMUSQEWSA-N 472.928 5.630 50 50 JKGA O=C(N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc2ccccc2n1 4210946 CJJCNKQQQZIQCM-RWPZCVJISA-N 485.952 6.086 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@@H]2c1ccc(C(C)(C)C)s1 8442701 DDFGSFDZPRDVBI-JOCHJYFZSA-N 476.602 5.895 50 50 JKGA CCOc1ccc([C@@H]2C(C#N)=C(SCc3ccccc3Cl)N=C(O)[C@H]2C(=O)OC)cc1 9089418 YMCULQYXIUWNNT-UXHICEINSA-N 456.951 5.250 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(n1cccc1)=C(C#N)[C@@H]2c1ccc2c(c1)OCO2 12402346 SVTGQKBXXQSDON-SANMLTNESA-N 463.537 5.856 50 50 JKGA C[C@@H](c1ccc2c(c1)C(C)(C)CCO2)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100696620 OQDYVHGOFQYEMW-DEOSSOPVSA-N 451.570 6.802 50 50 JKGA COc1cc(C(=O)/C=C/c2ccc(OCCCCCCBr)cc2)cc(OC)c1OC 1848444159 RECUTSHNBPKBNE-JLHYYAGUSA-N 477.395 5.943 50 50 JKGA Cc1ccccc1P(c1ccccc1C)[C@H](C)C1=C(P(c2ccco2)c2ccco2)CCC1 1857524041 XREHSCGUQDURPJ-HSZRJFAPSA-N 472.505 6.882 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)c(C)c2)=C(C#N)[C@H]1c1cccc2ccccc12 2921749 UBCVLAUSYOIVAD-MUUNZHRXSA-N 466.606 6.358 50 50 JKGA COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1COc1cccc2cccnc12 2089710 IJQWGVVMCNIEMY-IPPBACCNSA-N 480.351 5.893 50 50 JKGA O=C(Cc1cccc2ccccc12)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 4261122 TZEHORYEGQHRDH-AJBULDERSA-N 458.517 5.905 50 50 JKGA CCOC(=O)c1c(NC(=S)NNC(=O)c2csc(C)c2CC)sc2c1CCCCCC2 20191674 GCUXMLOWXOTBLD-UHFFFAOYSA-N 479.693 5.148 50 50 JKGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OCc4ccccc4)cc3)cc2)cc1 2519962 YVXLFUJQMLHKPN-NDZAJKAJSA-N 480.520 5.257 50 50 JKGA CN(C)c1ccc(/C=N/NC(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)c(Cl)c1 3086054 OAZGPBCDPUIMHE-VULFUBBASA-N 470.360 5.467 50 50 JKGA C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 4302783 PGIAIWPATIMVCA-OJPXDDBDSA-N 472.928 5.630 50 50 JKGA CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C1C(=O)CCC2 5949767 OMYOSDKXDFNNCY-LJQANCHMSA-N 452.561 5.073 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1cccc(F)c1 9019125 MWMJUYXYJUQSDL-LGJNPRDNSA-N 452.942 5.120 50 50 JKGA C=C[C@@]1(OCc2ccccc2)CO[C@@H](c2ccccc2)O[C@H]1CCO[Si](C)(C)C(C)(C)C 169835272 NPNDPCMEQCYFCV-ZWEKWIFMSA-N 454.683 6.654 50 50 JKGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(F)cc1F 994547 XEANWRHJNBIMHI-HSZRJFAPSA-N 466.484 5.003 50 50 JKGA C=CCOc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3C)C3=C2C(=O)CCC3)cc1 2387633 VVWCVCNWXJSTDV-DEOSSOPVSA-N 490.401 5.627 50 50 JKGA N#CC(/C=C1\C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21)=C(/N)NCc1ccccc1 15724251 YSGPDSCBKMWRKF-GVOZXMATSA-N 461.352 5.539 50 50 JKGA CCOc1c(I)cc(/C=C(/C#N)c2nc3ccccc3s2)cc1OC 16347093 IGQWFQLXBOZOKQ-JYRVWZFOSA-N 462.312 5.372 50 50 JKGA COc1ccc(/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1CSc1nc(C)cc(C(F)F)n1 32573667 CKIONADCKCJLKC-UNOMPAQXSA-N 487.553 5.362 50 50 JKGA COCO[C@](C)(CCCS(=O)(=O)c1nc2ccccc2s1)CO[Si](C)(C)C(C)(C)C 169836583 XCIYFGSWODPAMR-OAQYLSRUSA-N 473.733 5.251 50 50 JKGA CCn1c2ccccc2c2cc(/C=N/NC(=O)c3cc(-c4ccc5c6c(cccc46)CC5)n[nH]3)ccc21 2388934 MTRPTHMPDFNSME-KCSSXMTESA-N 483.575 6.220 50 50 JKGA O=C(N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1)c1ccccc1O 4210647 NYHWWKWUSCARGJ-DHRITJCHSA-N 450.903 5.243 50 50 JKGA CC(C)(C)c1cc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n[nH]2)cc(C(C)(C)C)c1O 5354295 JREMVXUAQZADLP-BIZUNTBRSA-N 494.639 6.808 50 50 JKGA Cc1c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)ccc2ccccc12 220959244 HCCAERLGQPYDJI-WPWMEQJKSA-N 455.561 7.255 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(C)C)cc3)nnc2-c2ccccc2)cc1 2339399 YQDYDUQDTUUOKW-OGLMXYFKSA-N 469.614 5.609 50 50 JKGA CCOc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 2506258 PDFPTBSETSVVQJ-CVKSISIWSA-N 483.362 5.199 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccc3ccccc23)cc1 2544375 AWKHPQPUNSWBAT-UZWMFBFFSA-N 488.543 6.375 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1cccc(Cl)c1 2584967 CMPCYNCSGQYGTR-ZMOGYAJESA-N 457.711 5.086 50 50 JKGA N#CC1=C(n2cccc2)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 12360546 XICMSKDDRKBPES-RUZDIDTESA-N 480.480 5.128 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2cccc(Br)c2)=C(C#N)[C@H]1c1ccccc1 16676337 AIBZZTRJAOJBHP-JOCHJYFZSA-N 467.388 5.350 50 50 JKGA C/C(=N/NC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 20562292 HTARNNOWABQFGZ-ZGJRVPHQSA-N 488.031 6.534 50 50 JKGA N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1ccc(O)cc1 1209248 HVVOOLKNUZQDFG-GZTJUZNOSA-N 483.749 5.933 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C)s3)n2-c2ccc(C)cc2)cc1 1840745 RYQNNPQVCDNFEE-AFUMVMLFSA-N 461.616 5.163 50 50 JKGA CCc1ccc([C@H]2C(C#N)=C(N)N(c3cccc(Br)c3)C3=C2C(=O)CC(C)(C)C3)s1 2518446 YPTNIRANGSTZRS-OAQYLSRUSA-N 482.447 6.014 50 50 JKGA O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cc(Cl)ccc1Cl 2518521 OHXRMJYHQNOZTK-RPPGKUMJSA-N 476.747 5.315 50 50 JKGA C[C@@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 170171294 QQOFWFOBJUGLLJ-QXDIGNSFSA-N 452.889 5.243 50 50 JKGA N#C/C(=C\c1cn(Cc2cccc(Br)c2)c2ccccc12)S(=O)(=O)c1ccccc1 1118791 KVCWMKSRXLLKSL-HYARGMPZSA-N 477.383 5.790 50 50 JKGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 4230092 JGIMRMWDTCJEMP-CJHIPLPSSA-N 452.510 5.285 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)c(OC)c1 102282846 CXFOXPFXSFIVRU-ZTKZIYFRSA-N 487.040 6.939 50 50 JKGA CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)C[C@H](c1ccccc1)C2 1440788 VBWITZSAPVJGSN-HXOBKFHXSA-N 478.687 5.393 50 50 JKGA CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 2320595 QIUPINFLTUPIGA-TURZUDJPSA-N 484.629 5.023 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1 2570308 VGACJHSEWNBWJT-NRFANRHFSA-N 471.910 6.300 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2OC)cc1 2552990 CWJMRARHGPPRLX-NDZAJKAJSA-N 482.536 5.620 50 50 JKGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4210178 AIMGXNYEJGVUCS-RWPZCVJISA-N 464.949 5.520 50 50 JKGA CC/C(=N/NC(=O)c1cc(-c2ccc(CC)cc2)nc2c(Cl)cccc12)c1cccc(Cl)c1 20572493 ZYKDENQRIUIAKG-QLTSDVKISA-N 476.407 7.315 50 50 JKGA Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1 1840826 XHICNYRLQSMRGM-MZJWZYIUSA-N 496.423 5.792 50 50 JKGA Cc1ccc2cc(/C=N/NC(=O)COc3cc(C)c(Br)cc3C(C)C)c(Cl)nc2c1 19800629 XPTQTKDPNURMRZ-KBKYJPHKSA-N 488.813 5.920 50 50 JKGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)c1 2520084 FFQMNPZVFQINNB-FDAWAROLSA-N 480.564 6.020 50 50 JKGA O=C(N/N=C/c1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccncc1 2530564 SABBXZOOSAGQEK-CCVNUDIWSA-N 464.308 5.525 50 50 JKGA C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 4259913 GKVKPDLFYIQBOS-BRVWEASZSA-N 488.543 6.130 50 50 JKGA CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3cccc(OCc4ccc(Cl)cc4)c3)[nH]n2)cc1 4528014 HMTJPAFRQJVFAW-LQKURTRISA-N 473.964 5.139 50 50 JKGA O=C(CSCc1ccc(F)cc1Cl)NNC(=S)Nc1ccc(Cl)c(Cl)c1 20436284 RWSREYITHDEXOF-UHFFFAOYSA-N 452.791 5.037 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(O)cc2)C(C#N)=C(SCc2ccccc2)N1 754731 BONGMNSSJJQLGW-VWLOTQADSA-N 453.567 5.660 50 50 JKGA C[C@@H](CP(=O)(Cc1ccccc1)Cc1ccccc1)P(=O)(c1ccccc1)c1ccccc1 2909511 UGRXMAIAHBOEDR-VWLOTQADSA-N 472.505 7.153 50 50 JKGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OCc3ccccc3)n[nH]2)cc1 9375251 BTEBQRPYPIPBCL-VUTHCHCSSA-N 467.573 5.266 50 50 JKGA CCc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1 4210568 YEYGQKIHHXPWKM-RWPZCVJISA-N 492.984 5.865 50 50 JKGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3c(Cl)cccc3Cl)nc3ccccc32)cc1 13239298 YZQNHRZPTVVVDQ-UVHMKAGCSA-N 483.424 5.942 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2521772 XVHANKWFQURFFU-MZJWZYIUSA-N 471.340 5.684 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 4259897 UCLZJCBGRABMRZ-TWKHWXDSSA-N 466.537 6.002 50 50 JKGA Cc1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 100142904 ADHARROEILFLBF-RVDMUPIBSA-N 464.344 5.964 50 50 JKGA Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(\C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1875363362 NSUUYEILRYDFEP-KPKJPENVSA-N 499.707 6.705 50 50 JKGA Cc1ccccc1[C@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C1C(=O)C[C@@H](c1ccccc1)C2 695906 ZAEWVPMRWVQYHR-KMRXNPHXSA-N 490.563 5.910 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(N)=C(C#N)[C@H]2c1cc(Br)cs1 1445379 VRMAOBRKVYHGGK-IBGZPJMESA-N 488.838 6.105 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2585010 BTJADOWYQVUTEZ-UVHMKAGCSA-N 491.758 6.029 50 50 JKGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@H](C)Oc2cccc3cccnc23)cc1 2934841 MSQRGTMWJGAHMA-MKWQWOMNSA-N 491.551 5.014 50 50 JKGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccc(OC(=O)c4ccccc4)cc3)cc2)cc1 4360644 QVNLXCDCSLLCSI-NDZAJKAJSA-N 464.521 5.557 50 50 JKGA CC(/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)=C\c1ccccc1 8837913 DXYRRPFOBBRUKD-RSYXTFCQSA-N 453.571 5.232 50 50 JKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccccc1C(F)(F)F 102289991 GDUXOYDFUWUIKV-JBASAIQMSA-N 454.621 8.417 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 2531938 YDQMZJNRHXUHNW-AJBULDERSA-N 480.564 6.310 50 50 JKGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1c(O)ccc2ccccc12 102284611 OAUIHMZNLVPMEF-ZTKZIYFRSA-N 453.627 5.813 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1 722083 CLSTZDMNRVILPD-DEOSSOPVSA-N 486.622 5.455 50 50 JKGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 2521908 VQACYONAEXKZSW-WYMPLXKRSA-N 482.776 5.212 50 50 JKGA Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(OCc4ccc(C)cc4)cc3)cc2)cc1 2565229 KDDBBKHEEWWJRG-ZCTHSVRISA-N 464.565 6.225 50 50 JKGA C[C@@H](Oc1cccc2cccnc12)C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 2869649 XJUKHDDTYNAQSY-NXYZXBHKSA-N 464.319 5.175 50 50 JKGA Cc1ccc(-c2csc(/C(C#N)=C/c3cc4cc(Br)ccc4nc3Cl)n2)c(C)c1 16511300 SPMVKOTZXWENNO-RQZCQDPDSA-N 480.818 7.455 50 50 JKGA Cc1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(S)o2)cc1 97976866 AWTYWPDJTZRJTJ-UHFFFAOYSA-O 452.539 5.558 50 50 JKGA CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCl)CC[C@]4(C)[C@H]3CC[C@]12C 253499852 PRYJZWFEVZHKQI-CABDSGELSA-N 477.173 8.857 50 50 JKGA biogenic COc1ccc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)[C@](C)(c2ccccc2)CC(C)(C)N4)cc1 1857526090 JPGVZALWTUMGQV-UHSQPCAPSA-N 451.570 5.814 50 50 JKGA COc1cccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccco2)C3)c1OCc1ccc(F)cc1 718367 DHULOXQTPVNLCX-GKVSMKOHSA-N 486.499 5.215 50 50 JKGA aggregator CCCCc1ccc(NC(=S)NNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1 20572811 ROGAGWSSFRYTIW-UHFFFAOYSA-N 473.598 5.986 50 50 JKGA CCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 102282380 YNWRHEDPWXJKCC-JVWAILMASA-N 479.404 6.422 50 50 JKGA O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cccc(Cl)c3N[C@H]2c2ccc(F)cc2)[C@H]1Cl 252427916 KBFKAEYOXGRGEG-OWBSIYFLSA-N 489.399 7.426 50 50 JKGA COCO[C@@H]1C=C[C@]23[C@H](CC[C@H]2O[Si](C)(C)C(C)(C)C)C2(C[C@H]3C1)SCCCS2 257359220 ZAVFGPCXPDNXRS-JPVHLGFFSA-N 456.790 6.309 50 50 JKGA O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2521108 RVGTUNNLIITPDT-WKULSOCRSA-N 493.346 5.895 50 50 JKGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1 2553470 HAVSFFJMHLJKDU-FDAWAROLSA-N 498.966 6.211 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1ccc(O)cc1 5317782 GYSKOBJCAYYDFU-JVWAILMASA-N 464.978 5.076 50 50 JKGA CC1(C)[C@H](C(=O)NNC(c2ccccc2)(c2ccccc2)c2ccccc2)CC[C@@]1(C)C(=O)O 12384096 UAGHCTLZYJNSIP-CUBQBAPOSA-N 456.586 5.126 50 50 JKGA O=C(NNC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccc(COc2ccccc2Cl)o1 20508210 VDRLOCBLQWUGQO-UHFFFAOYSA-N 470.765 5.450 50 50 JKGA C/C(=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 22063922 OXSYKMBLVXELOM-RGXNXFOYSA-N 497.982 5.369 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccccc2F)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2530536 CWZWEFCXBIIOPH-RPPGKUMJSA-N 461.276 5.124 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cc(C)ccc3C(C)C)cc2)cc1 4259306 HKFNAIXZGJIIBA-UXHLAJHPSA-N 488.584 5.656 50 50 JKGA Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(Cl)cc4)N(c4ccc(C)cc4)CN3C2)cc1 226239470 RIFRXCLVTDYZLW-SANMLTNESA-N 473.045 6.681 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2Br)c1 2531933 HCVYOHGNFOESDS-LQKURTRISA-N 487.353 5.894 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)Cc2cccc3ccccc23)cc1 2544401 VQOBJLMYRMULLG-UZWMFBFFSA-N 472.544 6.213 50 50 JKGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl)c1ccccc1Cl 4347284 RHRGTHCZWSNULQ-BRJLIKDPSA-N 492.156 5.739 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C3CCCCC3)cc2OCC)cc1 71787420 ABCXPBQGTLNPIN-OVVQPSECSA-N 452.551 5.124 50 50 JKGA CCCOc1ccc(Br)cc1/C=N/NC(=O)c1cc(Br)ccc1OCC 2506274 SZQZRVJVAIEREN-WSDLNYQXSA-N 484.188 5.163 50 50 JKGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c1 2530423 DFDQURQMQYWLGO-RWPZCVJISA-N 450.966 5.880 50 50 JKGA N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1)c1nc2ccccc2[nH]1 15658898 UCHOVNUEQPGDJA-CPNJWEJPSA-N 470.363 6.846 50 50 JKGA CCOC(=O)c1c(NC(=S)NNC(=O)c2csc3ccccc23)sc2c1CCCCC2 20168510 NKAKTMAFAURWIJ-UHFFFAOYSA-N 473.645 5.040 50 50 JKGA COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@]12C 253500754 XDHSPKUJYNEBHS-BPBWQNJRSA-N 481.471 5.308 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]4[C@H](C)/C=C/[C@H](C)C(C)C)[C@@]34C=C[C@]2(C1)OO4 257350241 VVDFOIZUJIWFEH-WEDPQUMQSA-N 470.694 7.044 50 50 JKGA Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3cccc(Cl)c3Cl)s2)cc1 2327955 CJZLIJHDNSHVOE-LSFURLLWSA-N 483.471 5.688 50 50 JKGA COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(\C#N)C(=O)Nc2cccc(C(C)=O)c2)cc1 20310963 CHGUTIAVEQZMNY-BUVRLJJBSA-N 476.536 5.355 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccc(OCC)c3)[nH]n2)cc1 102302528 JBSJOKSLWGTLSZ-XHLNEMQHSA-N 476.621 6.369 50 50 JKGA C[C@]12C[C@H](Br)[C@@H](Br)C[C@]1(C)C[C@@H](Br)[C@@H](Br)C2 254871642 CXHKDKVYYZDCRY-PYZHKEBXSA-N 481.892 5.641 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 1057056 UEDNRBMCPYXMPT-OAQYLSRUSA-N 493.361 5.298 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2F)cc1 2531763 PMCHBCZDFAEUCH-STBIYBPSSA-N 456.473 5.361 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2OC)cc1 2531900 YQFQWDLLUCKAFN-MZJWZYIUSA-N 487.339 5.384 50 50 JKGA CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4ccc(Cl)cc4)o3)sc2c1 2899718 IPCGRPKATBZICR-FSJBWODESA-N 457.964 5.857 50 50 JKGA CC(C)=CCC/C(C)=C\C[C@]12OC(C)(C)[C@@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 2332922352 BCPWMPCOEAOEDD-ZIKVQTDLSA-N 481.416 6.082 50 50 JKGA CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(CSc2ccccn2)c1 996994 GSVAEERRPYJIHZ-XMMPIXPASA-N 499.592 5.165 50 50 JKGA O=C(Nc1ccc(Cl)c(Cl)c1)[C@H](Br)[C@@H](Br)c1ccccc1 2173084 GIKYIDFHENAVFO-UONOGXRCSA-N 451.973 5.832 50 50 JKGA O=C(N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 2520089 AHTFJTQZAMIRBG-WKULSOCRSA-N 475.907 5.300 50 50 JKGA CCOc1cc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2544195 RYWJFFHPUOYIAQ-MUFRIFMGSA-N 494.975 5.610 50 50 JKGA COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1 2552907 BETKJWQOLVCMMK-DHRITJCHSA-N 473.754 5.454 50 50 JKGA CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)s1 2573748 YEECNBLWAJOOBO-NRFANRHFSA-N 471.548 6.369 50 50 JKGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc(OC)c1OC 3238592 WKRNKWPOYUWEQW-RWPZCVJISA-N 475.932 5.345 50 50 JKGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 4229914 UYPKAYULJPWPDP-WKULSOCRSA-N 493.346 5.895 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1ccc2ccccc2c1 5317792 YYVCJUXVINZTPT-ZCTHSVRISA-N 499.039 6.524 50 50 JKGA Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccccc2Br)c1 19800635 YAPJNOXSULGPDB-CVKSISIWSA-N 459.347 5.374 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCCC3)C(N)=C(C#N)[C@@H]2c1cccs1 2188813 QEORQWYJYYHCPR-JOCHJYFZSA-N 474.655 5.891 50 50 JKGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 2531210 WYCSSOKOQBGZTR-LQKURTRISA-N 464.949 5.185 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2cccc3ccccc23)c1 2531549 PSVYLPSGQCTVOF-BIZUNTBRSA-N 488.543 6.050 50 50 JKGA Cc1cccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C)c1 2532299 CUCJGOLCJIHMIA-AFUMVMLFSA-N 451.320 5.049 50 50 JKGA COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(Cl)s3)c3ccccc3n2)c(OC)c1 8454719 FMRZNGUTKGGXAB-MZJWZYIUSA-N 465.962 5.788 50 50 JKGA CSc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1 13208770 CNNBQRLJZGRIKY-VULFUBBASA-N 481.046 5.702 50 50 JKGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc2ccccc12 1127633 PRZTYSGXYNUQMC-HHHXNRCGSA-N 480.564 5.878 50 50 JKGA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4259926 OJBQPBVCQBYJIE-HWDKICEFSA-N 475.303 5.269 50 50 JKGA COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCc1c(F)cccc1Cl 6162806 SAZMMZBCVGUIKG-LFIBNONCSA-N 450.922 6.741 50 50 JKGA C/C(=N\NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 8455983 ZOKHTWYURUOBOU-PCBYSHGLSA-N 496.822 5.479 50 50 JKGA C/C(=N/NC(=O)c1ccc(Cl)s1)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 8456191 GXHREXNWQHLMJS-DICXZTSXSA-N 453.995 6.105 50 50 JKGA N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)c1nn(-c2ccccc2)c(N)c1C#N 8989949 QDTCJJJVGPBFTF-YBFXNURJSA-N 486.362 6.276 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(-c3ccccc3)cc2)=C(C#N)[C@@H]1c1ccco1 16676291 XKDJDMVZTZGWMF-AREMUKBSSA-N 454.551 5.848 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccc(Cl)cc1 19800735 ATWWTEIMMAZNSV-JVWAILMASA-N 496.423 5.874 50 50 JKGA CN(C)c1ccc([C@H]2C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 2089821 AKOTWWOOWGNISC-PIKZIKFNSA-N 495.026 6.104 50 50 JKGA CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 2340084 KHABQXHNCAXAOY-VUTHCHCSSA-N 498.656 5.331 50 50 JKGA O=C(N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1)c1cccc(Cl)c1 2897705 LGHLRXXDQKHKTC-LGJNPRDNSA-N 469.349 6.191 50 50 JKGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccc(C)cc2)cc1 4282118 AQDHKFCZYRWTIC-RDRPBHBLSA-N 468.557 5.166 50 50 JKGA O=C(CSCc1ccc(F)cc1Cl)NNC(=S)Nc1cc(Cl)cc(Cl)c1 20435987 DYWFJAVWVJKXPW-UHFFFAOYSA-N 452.791 5.037 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/C(Cl)=C/c3ccccc3)[nH]n2)cc1 102300529 GVRLADFGNUCRHX-LNMZFIQNSA-N 479.024 6.812 50 50 JKGA CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2ccc(F)cc2)C2=C1C(=O)CCC2 1171830 KJMPDLKQSLKQCA-OAQYLSRUSA-N 453.608 5.866 50 50 JKGA CC(C)(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 1798518 LMOXVALZDISTMZ-MTDXEUNCSA-N 469.614 5.474 50 50 JKGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1cccc(Cl)c1Cl 1811887 UWPQZNIUSVXILE-ZVBGSRNCSA-N 469.444 5.380 50 50 JKGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)Cc2cccc3ccccc23)cc1 2553031 OTICMCUPBXQVJP-UZWMFBFFSA-N 488.543 5.914 50 50 JKGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cccc(OC)c2)cc1 4258820 LDZCOMXXKDJKIX-MTDXEUNCSA-N 454.530 5.101 50 50 JKGA CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 4283499 OBRDKRMNTRANNM-JEWIKEISSA-N 497.935 5.144 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)c(OC)c3)[nH]n2)cc1 102302537 JPWUIYJPMRJUJB-OVVQPSECSA-N 464.566 5.294 50 50 JKGA CCCCCCC1(CCCCCC)c2cc(Br)ccc2-c2ccc(B(O)O)cc21 169747424 MGIFFRWIIBQCQT-UHFFFAOYSA-N 457.261 6.336 50 50 JKGA CCOC(OCC)[C@H]1C[C@H]2[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](CC)[C@H](C)C[C@@H]32)[C@@H]1O 169830672 XWOOOAPNZZPARE-MJLFEOIHSA-N 454.768 6.091 50 50 JKGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1c2ccccc2cc2ccccc12 2552906 NZAJOPZPUJCZOO-XODNFHPESA-N 450.325 5.180 50 50 JKGA COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccc(Cl)cc1 2584746 XMRZROQEGUEZJT-DHRITJCHSA-N 487.737 5.094 50 50 JKGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1cccs1 4282528 KIVSKMNYSDFJJT-RDRPBHBLSA-N 478.577 5.944 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(C)cc3)cc2)ccc1OC(=O)c1ccccc1 4360568 RLPRAAAPLNZOSS-ZCTHSVRISA-N 494.547 5.566 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1Cl 5358930 ZXCRXBAOENDWLE-LQKURTRISA-N 483.424 6.024 50 50 JKGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(COc3ccc(Br)cc3)o2)[C@@H]2CCCC=C12 20601943 SPHGNSHLTCOGPQ-DENIHFKCSA-N 475.346 5.215 50 50 JKGA O=C1OC(=O)[C@@H]2[C@H]3c4ccccc4[C@@H](c4cc5c(cc43)C3c4ccccc4C5c4ccccc43)[C@@H]12 101010543 GKTGYQBTOQNKNB-FUQRHTPKSA-N 452.509 5.580 50 50 JKGA CC(C)(C)[Si](OCCC[C@H]1CC2=CCC[C@@]3(C)[C@@H](C1=O)[C@H]23)(c1ccccc1)c1ccccc1 257358335 SVXWLSYXLYSVIN-FWGMPMLYSA-N 458.718 5.905 50 50 JKGA CCc1ccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc23)cc1 2543321 ADPZRUWGLJWSQZ-OCSSWDANSA-N 499.954 5.364 50 50 JKGA CCOc1cc(Br)cc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c1O 3001442 NQMFDYWEQMFQCJ-BOOTZKDASA-N 479.374 5.010 50 50 JKGA C/C(=N/NC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 12342890 VJLDIYAYVNLVEB-UHBFCERESA-N 482.411 6.697 50 50 JKGA CCOC(=O)c1c(NC(=S)NNC(=O)c2cc3c(s2)CCCCC3)sc2c1CCCCC2 20168487 BEERHNNDUFJEPF-UHFFFAOYSA-N 491.704 5.156 50 50 JKGA N#C/C(=C\c1cn(Cc2c(F)cccc2Cl)nc1-c1ccccc1)C(=O)Nc1sccc1C#N 20530187 IQXCGDCXEQHKPE-WOJGMQOQSA-N 487.947 5.870 50 50 JKGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc(Br)ccc1OCC=C 2506312 VBCVTIRQQZHAAM-YDZHTSKRSA-N 494.183 5.105 50 50 JKGA N#C/C(=C\c1cc(Cl)ccc1OCc1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 2850802 ZKLAVWZACDXZGP-LDADJPATSA-N 462.329 6.050 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OCCC)cc3)cc2)cc1 4259112 UJSRPIHRLXWGMV-ZTKZIYFRSA-N 474.557 5.637 50 50 JKGA COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OC(=O)c1cccs1 9310433 BHOHQOCEVRHCBX-NTEUORMPSA-N 480.343 5.679 50 50 JKGA CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Sc1nc2ccccc2s1 20177055 GYFADTRIPCVEMN-KIHMUJGBSA-N 464.410 5.088 50 50 JKGA COc1ccc(C(=O)N/N=C(/C)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 22063849 LFYKTYPFRPZSPI-VYYCAZPPSA-N 456.329 5.408 50 50 JKGA Cc1ccccc1P(c1ccccc1C)[C@H](C)[C@@H]1CCC[C@@H]1P(C(C)(C)C)C(C)(C)C 199829202 KJLGULUIPNNIDJ-DXBVXKBHSA-N 454.619 8.372 50 50 JKGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O 1031677 NVVRCPUXOOYNJY-JOCHJYFZSA-N 462.937 5.498 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc1 2552755 FWBDDBSSZMXIFC-WPWMEQJKSA-N 495.373 5.611 50 50 JKGA Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccco1)nn2-c1ccccc1 2789676 BSDYTSVTTCBEIB-XMMPIXPASA-N 474.524 5.153 50 50 JKGA CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 4302992 XXVWZEPNRQSIJH-PYWPZVNCSA-N 487.383 5.889 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccc(Cl)cc1 9008048 CKZQYVJPBNEMRE-OVVQPSECSA-N 476.005 5.529 50 50 JKGA COc1cc(CBr)c(OCC[C@@H](C)CCCC(C)C)cc1CBr 100652848 DOKSAXJBKYCNRE-HNNXBMFYSA-N 450.255 6.716 50 50 JKGA C1=C(c2ccccc2)OC(c2ccccc2)=CC1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100720650 YWNJXVFPDLPWLJ-UHFFFAOYSA-N 495.582 7.462 50 50 JKGA Cc1ccccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 2553743 UCUQNCYFZZLLOC-NDZAJKAJSA-N 478.504 5.197 50 50 JKGA CCCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1 4209902 XPAUYGJFDBPTJA-OGLMXYFKSA-N 464.949 5.431 50 50 JKGA N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 8666032 HOCWIWIJKWYAID-RVDMUPIBSA-N 450.376 6.346 50 50 JKGA aggregator N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1cccc(F)c1 12393085 MLXPZXPPRLGORZ-GRSHGNNSSA-N 452.279 5.930 50 50 JKGA Cc1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(=O)n(-c2ccccc2)n1C 19800574 PODHLHNYVYWZLT-ATVHPVEESA-N 493.350 5.597 50 50 JKGA CCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 102317244 UZVCRDZLEVGGDQ-KOEQRZSOSA-N 459.384 5.869 50 50 JKGA COc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C2CC(C)(C)CC3=O)c(OC)c1 1064873 MOJMWRXAYBUGDE-QHCPKHFHSA-N 463.965 5.298 50 50 JKGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2521839 YIAKMMSVMHHLDV-XODNFHPESA-N 496.329 5.074 50 50 JKGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2530521 PBCBJCIUFWMXNX-RWPZCVJISA-N 450.966 5.880 50 50 JKGA COC(=O)c1c(-c2ccc(CBr)cc2)cccc1-c1ccc(CBr)cc1 3122042 BCNPLMFMLWKIEE-UHFFFAOYSA-N 474.192 6.597 50 50 JKGA C=CCOc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 4260498 DJUVRQOJGGULAB-VUTHCHCSSA-N 450.494 5.388 50 50 JKGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 4366062 PVJLOHVSWXDOKV-JZBVQRJASA-N 464.521 5.490 50 50 JKGA CCCCCCCCCCCCCCCCn1c(SCCCl)nc2c1c(=O)[nH]c(=O)n2C 8398545 XUENBRBZRKTODQ-UHFFFAOYSA-N 485.138 6.236 50 50 JKGA CC1(C)[C@@H](C(=O)NNC(c2ccccc2)(c2ccccc2)c2ccccc2)CC[C@]1(C)C(=O)O 12384099 UAGHCTLZYJNSIP-UFHPHHKVSA-N 456.586 5.126 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OCCC)cc2)cc1 102267098 PZQISOFLSVGVHI-SGWCAAJKSA-N 452.595 6.285 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1 102303794 XIZBXKAKRHDBMW-XHLNEMQHSA-N 482.621 6.294 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1 2371762 RTQVFMIMWHXIIQ-RWPZCVJISA-N 498.963 5.107 50 50 JKGA COc1cc(OCCSSc2ccccn2)cnc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 2325899815 YMSUAGQWBHNXEX-UHFFFAOYSA-N 494.520 5.746 50 50 JKGA CC1(C)Cc2c(cnn2-c2ccccc2)-c2c1c1ccccc1n2C[C@H](O)CBr 978408 IMCIDXDPSMQGLU-QGZVFWFLSA-N 450.380 5.084 50 50 JKGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 4282575 BTHNRUXBYKNYEY-IBBHUPRXSA-N 489.934 5.091 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(-c2c(Cl)cc(Cl)cc2Cl)o1 5359978 XUOIYAJBURTWFO-SFHVURJKSA-N 483.742 6.515 50 50 JKGA CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C=C([C@H](O)c2ccccc2)O1 169830895 FBTPHKIEDROKDF-QNWVGRARSA-N 464.795 6.805 50 50 JKGA COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 2301596 VZODXUJCGPXUQX-ODLFYWEKSA-N 462.889 5.171 50 50 JKGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl)c1ccccc1 2584954 TVQVTLVMDCGUMU-ZMOGYAJESA-N 457.711 5.086 50 50 JKGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2cccc3ccccc23)ccc1OC(=O)/C=C/c1ccccc1 4335754 ATZZUJCTSZTAAT-ZCQZBSEISA-N 494.547 5.385 50 50 JKGA N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 16362075 YVIAHGCPYQAPOT-GZTJUZNOSA-N 490.462 7.259 50 50 JKGA COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2O)cc1CSc1nc(C)cc(C(F)F)n1 20353464 YZENKXASWNMOIO-NSKAYECMSA-N 492.935 5.146 50 50 JKGA COc1cc([N+](=O)[O-])ccc1N/C=C(\C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 22023075 WCHJWXLUUMWQLG-DTQAZKPQSA-N 496.504 5.963 50 50 JKGA CCCCCCCCCCCCCCCCOC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)o1 100469673 UHYHHEDORCXDSA-PNHLSOANSA-N 463.662 8.878 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl 3095166 DGLBDDABWPREHL-LGJNPRDNSA-N 480.929 5.252 50 50 JKGA CC(C)c1cc(C(C)C)c(SSc2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1 71792964 ZLOCUDMSUFOLGX-UHFFFAOYSA-N 470.832 11.226 50 50 JKGA COc1ccc([C@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CC(C)(C)C3)cc1 714757 PUYBITHZOHIIHC-DEOSSOPVSA-N 484.625 5.448 50 50 JKGA Cc1cc(Br)ccc1N1C2=C(C(=O)CCC2)[C@H](c2cccnc2)C(C#N)=C1n1cccc1 1432004 PVFUHCYYNRZLNY-XMMPIXPASA-N 485.385 5.957 50 50 JKGA Cc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C)cc1C 2532259 QGPHIDYAPCCRRZ-MZJWZYIUSA-N 495.373 5.123 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccc3ccccc23)cc1 2584934 STKKESIXFFRDMG-ZCTHSVRISA-N 458.517 6.285 50 50 JKGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 2851825 MNCGKHJENIXSFO-AWEZNQCLSA-N 460.386 5.446 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1ccc(Cl)cc1Cl 4293018 DWKPHEAJPPOIIX-BRJLIKDPSA-N 492.156 5.739 50 50 JKGA O=C(COc1ccc2ccccc2c1Br)N/N=C/c1cccc(OCc2ccccc2)c1 4327212 QSPFAPGMZWBGHN-LQKURTRISA-N 489.369 5.710 50 50 JKGA CCCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1OC 20572873 LENRZMHFEVYRND-QGOAFFKASA-N 457.368 5.881 50 50 JKGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 2518706 KWUCWIMIJSAWDW-MZJWZYIUSA-N 486.355 5.060 50 50 JKGA N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1Cl 8450625 MMDNZVYTAFEAFT-LJQANCHMSA-N 455.301 5.206 50 50 JKGA Cc1ccc([N+](=O)[O-])cc1N1C2=C(C(=O)CCC2)[C@H](c2cccc(F)c2)C(C#N)=C1n1cccc1 1432901 FPQSSQVWZQPCHN-RUZDIDTESA-N 468.488 5.847 50 50 JKGA CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)sc2c1CCCC2 1776198 OWGKZZJCNYZUEA-DTQAZKPQSA-N 480.973 6.263 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2Cl)=C(C#N)[C@H]1c1sccc1C 1199108 CNLRFWKYTAVWTJ-HXUWFJFHSA-N 477.438 6.264 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2584749 XQESZJPXLDKPBH-RPPGKUMJSA-N 477.731 5.639 50 50 JKGA C/C(=N\NC(=O)c1ccc(C(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 12343200 ZKZSIWSDEHCZLC-DPCVLPDWSA-N 467.356 5.301 50 50 JKGA N#C/C(=C/Nc1cccc(C(F)(F)F)c1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 102891906 VZAMNRCBRBCRNW-SSZFMOIBSA-N 489.478 7.065 50 50 JKGA O=C(COc1ccccc1)N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 4209681 PEKAZVHKDWIQEG-VULFUBBASA-N 464.930 5.303 50 50 JKGA N#C/C(=C/Nc1cccc(C(F)(F)F)c1)c1nc(-c2cccc(Br)c2)cs1 15659401 RVTSSSANYKDDDQ-RAXLEYEMSA-N 450.283 6.568 50 50 JKGA O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1cc(/N=N/c2ccccc2)ccc1O 16451127 ICVBCQXQMUYNOI-JZPBETOZSA-N 487.357 6.416 50 50 JKGA CCCCOc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 2521848 VZWPBBGBUOETBT-YZSQISJMSA-N 485.993 5.084 50 50 JKGA Cc1ccsc1[C@H]1C(C#N)=C(N)N(c2sc3c(c2C#N)CCCC3)C2=C1C(=O)CC(C)(C)C2 2575537 LUMAMIGEWHHKHL-NRFANRHFSA-N 474.655 5.809 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2)cc1 4282373 KJMZOWNNNBUDJB-OGLMXYFKSA-N 480.948 5.267 50 50 JKGA CO[C@](CCP(=O)(c1ccccc1)c1ccccc1)(C(=O)c1ccccc1)c1ccccc1 100394538 OIVDQKVHFRFEEQ-LJAQVGFWSA-N 454.506 5.815 50 50 JKGA CO[C@@H]1C[C@@H]2[C@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1C(C)=O 247829752 KUJXAJMABXMSCW-QIXICHIMSA-N 460.775 7.170 50 50 JKGA Cc1ccsc1/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 2307978 GKLOUGNNIQPWTD-ZMOGYAJESA-N 468.007 5.200 50 50 JKGA Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(OCc4ccc(Cl)cc4)cc3)cc2)cc1 2581504 DZXJMBHNWHQJOD-FDAWAROLSA-N 484.983 6.570 50 50 JKGA CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2ccccc2[N+](=O)[O-])C2=C1C(=O)CCC2 4143548 VBXPUFJFUSBXMM-IBGZPJMESA-N 452.561 5.073 50 50 JKGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccc(C)c(C)c2)cc1 4259888 NKJKLNGXLVOXRT-UXHLAJHPSA-N 482.584 5.474 50 50 JKGA COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@H]1c1ccccc1 8740573 WTMAAFJYLKBCAI-HHHXNRCGSA-N 495.604 5.646 50 50 JKGA COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3OC)o2)c([N+](=O)[O-])c1 15799139 KVHBPLPXIGKWKA-UKTHLTGXSA-N 453.838 5.071 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@H]1c1ccc(F)c(Br)c1 1175356 KOTQBRPPXHPQSJ-IBGZPJMESA-N 461.294 5.350 50 50 JKGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cc3ccccc3cc2O)cc1 2519948 DXUUEGQARLZOEU-ZCTHSVRISA-N 490.563 5.951 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)cc2OC)cc1 2531620 DDSUORVBIQNGBL-UXHLAJHPSA-N 498.535 5.326 50 50 JKGA C=C[C@](C)(C[C@@H](OCSC)[C@@]1(C)C2=C(CCC2=O)CC[C@H]1C)/C(=C/C)O[Si](C)(C)C 169830419 WZLKZAXBIAZMEE-BHKQHKGQSA-N 450.761 7.126 50 50 JKGA COc1cc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 713480 IRSWLSFDIRNGQF-HSZRJFAPSA-N 493.991 5.307 50 50 JKGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1OCc1ccc(Cl)cc1 2552815 RQERFEZWUGYAEY-JFLMPSFJSA-N 499.792 6.010 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc4ccccc4c3)cc2)cc1 4261346 PWZFJUTVFKZHIL-NIKULWCKSA-N 496.563 5.765 50 50 JKGA COc1ccc(C(=O)Nc2ccc(/C(C)=N/NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 8453681 IUAOEZYKKNBRSD-MZJWZYIUSA-N 456.329 5.408 50 50 JKGA CCOC(OCC)[C@@H]1C[C@H]2[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](CC)[C@H](C)C[C@@H]32)[C@H]1O 169830670 XWOOOAPNZZPARE-NGPPIDTJSA-N 454.768 6.091 50 50 JKGA COc1ccc(-c2cc(C(=O)N/N=C(\C)c3cc(C)sc3C)c3ccccc3n2)c(OC)c1 8454729 CWLGVGVFUCRZFR-LQKURTRISA-N 459.571 5.751 50 50 JKGA C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1cccc(NS(=O)(=O)c2ccccc2)c1 17143488 HZOCWQSDBSUEFW-MFKUBSTISA-N 484.002 5.510 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OCCC)cc2)c(OC)c1 102274289 KGHLZLKMATYVDE-XHLNEMQHSA-N 482.621 6.294 50 50 JKGA COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@]12C 253500756 XDHSPKUJYNEBHS-CQBMEJRSSA-N 481.471 5.308 50 50 JKGA CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1OC 1775976837 VEAQWOGBKUYXFF-VWLOTQADSA-N 474.488 5.060 50 50 JKGA Brc1ccc([C@H](Br)[C@H](Br)c2ccccc2Br)cc1 2167748 BBJOOAHOFKXTJW-UONOGXRCSA-N 497.850 6.784 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(C)c3)cc2OCC)cc1 2531828 HNRVFUUBYOXZJD-MTDXEUNCSA-N 460.530 5.166 50 50 JKGA COc1ccc(/C=N/NC(=O)c2csc3c2CCCC3)cc1COc1cc(F)ccc1[N+](=O)[O-] 2761288 ZVTWHKGCKOKLPL-RPPGKUMJSA-N 483.521 5.026 50 50 JKGA CC(/C=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)=C\c1ccco1 9357574 JCSNZORYWFHEKJ-WLOALONVSA-N 499.640 6.122 50 50 JKGA CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@H](c3ccc(C(C)(C)C)s3)C3=C2CCCC3=O)s1 12401681 DDZPOSGAXPAJMW-SFHVURJKSA-N 485.704 5.702 50 50 JKGA CCc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccc(Br)cc3)C(C(C)=O)=C(C)N2)cc1 17952852 IVSJXHUIQKFAEK-XMMPIXPASA-N 495.442 5.913 50 50 JKGA FC(F)(F)c1cc(P(Cl)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1 100009646 DFZQEHBNAJGDCT-UHFFFAOYSA-N 492.627 7.348 50 50 JKGA COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 1189710 HVCQMBDXWBXGFA-AQTBWJFISA-N 450.336 5.411 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2Cl)=C(C#N)[C@H]1c1ccccc1Cl 2921843 SHVOVLHNAPVRKI-JOCHJYFZSA-N 491.827 6.548 50 50 JKGA C/C(=N/NC(=O)c1ccc(Cl)s1)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 8453909 NPHNUYYZULBYOO-MXAYSNPKSA-N 462.358 5.226 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2C)N1 19831338 RJTGZCXDBPSENF-SANMLTNESA-N 498.608 5.603 50 50 JKGA aggregator C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3[C@H](Br)C(=O)[C@@]12C 257347772 UBRJOFJFNRMMKB-APBSBXJZSA-N 453.461 6.089 50 50 JKGA COc1ccccc1N1C(N)=C(C#N)[C@H](c2ccc(Cl)c(Cl)c2)C2=C1CC(C)(C)CC2=O 1050356 JFFOIFSKSQAVPS-QFIPXVFZSA-N 468.384 5.943 50 50 JKGA C=CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(Cl)c3C)C3=C2C(=O)CC(C)(C)C3)cc1 2080814 LNYRDQFRKHYJCX-RUZDIDTESA-N 474.004 6.154 50 50 JKGA O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 2089551 AMJXLFXPJGDZMY-BHGWPJFGSA-N 455.257 5.474 50 50 JKGA CCCOc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 2520023 XZWDEJXESDVMRK-VUTHCHCSSA-N 452.510 5.612 50 50 JKGA COc1ccc(/C=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1COc1ccc([N+](=O)[O-])c(C)c1 8456154 HSZOBQQDPIXZGK-MUFRIFMGSA-N 491.588 5.547 50 50 JKGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccccc1 8569261 XYBTZLIWPLDKIX-XMMPIXPASA-N 464.525 5.273 50 50 JKGA N#C/C(=C\c1ccc(Cl)c(Cl)c1)c1ccc(/C(C#N)=C/c2ccc(Cl)c(Cl)c2)cc1 2549209 FFYJSNGBGREIBE-LQGKIZFRSA-N 470.186 8.429 50 50 JKGA CC(C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1 4209771 CBTNVUULFHLYRN-JFLMPSFJSA-N 450.922 5.212 50 50 JKGA CCCCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 4347254 DJPWSEJPSTUYKA-OGLMXYFKSA-N 450.966 5.791 50 50 JKGA Cc1ccc(N2C3=C(C(=O)CCC3)[C@@H](c3cccs3)C(C#N)=C2n2cccc2)c([N+](=O)[O-])c1 12447366 ZKKXABFLNZRQHU-HSZRJFAPSA-N 456.527 5.770 50 50 JKGA O=C(N/N=C/c1cn(Cc2c(F)cccc2Cl)c2ccccc12)c1ccc2ccccc2c1O 13322102 HMWXXNOQCMQHTN-AMVVHIIESA-N 471.919 6.105 50 50 JKGA Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2cccc(Br)c2)c1 19800627 SYPBAYHFGUCQFR-JFLMPSFJSA-N 489.373 5.139 50 50 JKGA CSc1oc(/C=C\c2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 104206506 IMUOQDQOFUJWEG-FCQUAONHSA-N 478.577 6.186 50 50 JKGA CCOC(=O)[C@H]1CC=C(O[Si](C)(C)C(C)(C)C)[C@H](c2ccc(F)cc2)[C@@H]1C(=O)OCC 197961878 QVDQBZSBIDKRJR-SESVDKBCSA-N 450.623 5.577 50 50 JKGA Cc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(C)c3)NC3=C2C(=O)CCC3)cc1 2329037 VQNLSPVQZLZGFZ-VWLOTQADSA-N 457.599 5.413 50 50 JKGA COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OC(=O)c1ccc(Cl)cc1 2573346 HGDGCRVWRWHXJZ-STBIYBPSSA-N 472.928 5.414 50 50 JKGA C/C(=N\NC(=O)c1csc2ccccc12)c1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 8456125 AOKPQJLOMQHFPQ-STBIYBPSSA-N 492.000 6.035 50 50 JKGA COc1cccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1 13942075 CGXKHMBTAAQXMA-WPWMEQJKSA-N 492.004 5.229 50 50 JKGA CCCS/C=C(/NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100296744 ZJIYIMCXCCWQDE-OLFWJLLRSA-O 482.609 6.353 50 50 JKGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(OCc2c(F)cccc2Cl)cc1 1089500 OLZDREOHJAIRNX-PUAOIOHZSA-N 490.918 5.860 50 50 JKGA aggregator CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 2584697 IDDPTSLMFWJZBS-JVWAILMASA-N 452.938 5.480 50 50 JKGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(C)cc(COc2ccc(Cl)cc2C)c1C 2743670 HCGAEPPTZVMXKQ-XMMPIXPASA-N 466.965 5.489 50 50 JKGA N#CC1=C(N)Oc2cc(OC(=O)c3ccc4ncccc4c3)ccc2[C@H]1c1c(F)cccc1Cl 1775977737 VUUCXOXZUFFAKA-HSZRJFAPSA-N 471.875 5.465 50 50 JKGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(Br)cc1OCc1ccc(C)cc1 1144221 URVFIWITBKOAAY-HSZRJFAPSA-N 495.373 5.160 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1 2542478 KNEAQFKHIPWPTE-OGLMXYFKSA-N 480.948 5.511 50 50 JKGA Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)nc2c1 9934908 DDMITAPMUMHYHH-WQRHYEAKSA-N 462.322 6.416 50 50 JKGA CCCOc1ccc(-c2cc(C(=O)N/N=C(\CC)c3cc(O)ccc3O)c3ccccc3n2)cc1 13322334 OCEBUEKQHNYUDG-BGABXYSRSA-N 469.541 5.646 50 50 JKGA O=C(Oc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1)c1cccc(Cl)c1 19800648 HQIYOLHBRABEPY-RWPZCVJISA-N 493.350 5.221 50 50 JKGA CCN(CC)c1oc(-c2ccco2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101011744 JGYQNUFJVJKZEE-UHFFFAOYSA-N 467.529 5.400 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)CC[C@@H](C)C(C)C)CC[C@@H]4[C@@]34CC[C@]2(C1)OO4 257347810 VGXFJJGBIOGXFM-NTODTDJJSA-N 472.710 7.413 50 50 JKGA COc1ccc(/C=N/NC(=O)c2sccc2C)cc1CSc1nc(C)cc(C(F)F)n1 659498 BVMSDILIUXKXNG-YSURURNPSA-N 462.547 5.157 50 50 JKGA CCc1ccc(OCC(=O)N/N=C/c2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)cc1 2532196 ZZQNSPNEYBZSEI-OCSSWDANSA-N 486.955 5.804 50 50 JKGA COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(C)C)cc2)cc1COc1cccc2cccnc12 20550277 GKZMMBFZHBGQDH-LFVJCYFKSA-N 477.564 6.491 50 50 JKGA COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc(O)c4ccccc4n3)oc12 33680707 SHOBJKJSKWIWNR-RGEXLXHISA-N 485.503 6.007 50 50 JKGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 4287018 ZVPHOOCAUHFPLR-QCLOQBNLSA-N 498.966 6.144 50 50 JKGA CCCCc1ccc(OCC(=O)N/N=C/c2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 4330170 XVYAZTIZVQUYRH-UZWMFBFFSA-N 494.591 6.239 50 50 JKGA C=CCc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 16195672 UGQMKKMXJLGOBH-QRVIBDJDSA-N 470.481 5.673 50 50 JKGA COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1cccc(C(=O)O)c1 22238512 DVUSSRMXHUNMID-UUYOSTAYSA-N 456.498 5.135 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1C 102276731 VJBUSVYTIRJICD-OVVQPSECSA-N 487.438 6.568 50 50 JKGA COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1 1813927 JAOLOASDRJTANF-JFLMPSFJSA-N 492.004 5.147 50 50 JKGA CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc1 2553002 BBTIYIKEFBFHQY-WGOQTCKBSA-N 481.346 5.221 50 50 JKGA CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)c1ccc(Cl)cc1)=C(C#N)C21CCCCC1 8399642 VKGIIYCQXWLCDS-UHFFFAOYSA-N 455.023 6.188 50 50 JKGA Cc1ccc([N+](=O)[O-])cc1N1C2=C(C(=O)CCC2)[C@@H](c2ccc3c(c2)OCO3)C(C#N)=C1n1cccc1 12462361 NANUHJWZSHDKDJ-SANMLTNESA-N 494.507 5.437 50 50 JKGA CC(=O)O[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C(=O)[C@H](Br)[C@]12C 257347957 AADCNQYPXUSRGN-BITSKVPHSA-N 497.470 5.081 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccccc2C)cc1 2530614 SIKBSZAYRVKJIU-STBIYBPSSA-N 452.510 5.205 50 50 JKGA CCOc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1 5352231 LKUCGRWVESVLDE-JFLMPSFJSA-N 479.005 5.379 50 50 JKGA Cc1ccccc1[C@H]1CC(=O)NC(SCC(=O)N(c2ccccc2)c2ccccc2)=C1C#N 9329865 IQYRZJMBFWNOLJ-HSZRJFAPSA-N 453.567 5.432 50 50 JKGA CC[C@H](C)c1ccc(NC(=S)NNC(=O)c2ccc(COc3cc(C)cc(C)c3)o2)cc1 20572827 JZEMBEPRBVVBGT-SFHVURJKSA-N 451.592 5.620 50 50 JKGA O=C(O)c1ccc2c(c1)[C@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1ccccc1F)N2 229865843 OCDBIIVGALZXKN-AEXWLAFLSA-N 498.963 6.471 50 50 JKGA O=C1c2ccccc2[C@H](c2c(-c3ccc(Cl)cc3Cl)[nH]c3ccccc23)N1CCCCl 334163499 UZDNERVQQDWEOT-XMMPIXPASA-N 469.799 7.316 50 50 JKGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1 2552921 SZWBJBKEZQPYOT-JFLMPSFJSA-N 499.792 6.010 50 50 JKGA COc1ccc(OCC(=O)N/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 4259557 YFPVTUNWFAOLRC-MUFRIFMGSA-N 458.489 5.096 50 50 JKGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 4283430 KZTPLFFFUQJTEW-IXORVSQSSA-N 457.313 5.130 50 50 JKGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 4330061 TZYKAOMGJMBGKU-RQQFFKHGSA-N 484.983 6.504 50 50 JKGA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)OCc2ccccc2)N1 8914581 DTAHPVZBWLUDTD-SANMLTNESA-N 499.592 5.399 50 50 JKGA COc1ccccc1/C=C/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1 13239744 MEUVHMKDNKHLEU-CJZGEIMDSA-N 491.016 5.654 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)C(Cl)Cl)CC[C@]4(C)[C@@H]3CC[C@]12C 256694088 IAZKUQHFBGEWGA-HYZZZALXSA-N 497.591 8.743 50 50 JKGA CC(C)(C)c1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3)n2-c2ccccc2)cc1 2597490 GCOHQDXVBLRSHE-MTDXEUNCSA-N 469.614 5.474 50 50 JKGA N#CC1=C(N)OC2=C(CCC/C2=C/c2cccc(Cl)c2Cl)[C@@H]1c1cccc(Cl)c1Cl 2783210 MQUVHUDLROVACQ-XGCMIMOYSA-N 478.206 7.629 50 50 JKGA CCOc1ccccc1[C@H]1C(C#N)=C(N)N(c2ccc(Br)cn2)C2=C1C(=O)CC(C)(C)C2 8456245 OSCOIMVCRSPBGP-QFIPXVFZSA-N 493.405 5.184 50 50 JKGA Cc1ccc(COc2ccc(-c3cc(C(=O)N/N=C/c4cccc(Br)c4)[nH]n3)cc2)cc1 9374525 YXHDGSYCWGMMFH-JFLMPSFJSA-N 489.373 5.491 50 50 JKGA Cc1ccc(COc2ccc(-c3cc(C(=O)N/N=C/c4c(Cl)cccc4Cl)[nH]n3)cc2)cc1 9374817 NRQMGHSHPKUHGN-CCVNUDIWSA-N 479.367 6.035 50 50 JKGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2cccc(C)c2)cc1 4282046 HWFBSVDZINRMON-RDRPBHBLSA-N 468.557 5.166 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1ccc(Cl)cc1Cl 5350246 OGQCCVRNQSDFML-STBIYBPSSA-N 497.451 6.332 50 50 JKGA COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 13943478 RWDRHAZFWPGPLL-KSEXSDGBSA-N 481.596 6.374 50 50 JKGA CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C1C(=O)CC(C)(C)C2 27550595 DPTZKUVCMMFQAH-NRFANRHFSA-N 494.642 5.936 50 50 JKGA O=C(NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(F)cc1 53193446 GIESTYWHLRVLGP-UHFFFAOYSA-O 495.341 6.154 50 50 JKGA CCOc1ccc(C2=C(C=NNC(=O)c3ccncc3)[C@@H](c3ccccc3)c3ccccc3O2)cc1 252679530 NSVBXTYEBOXCGQ-NDEPHWFRSA-N 475.548 5.832 50 50 JKGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2584742 FKJIHJWGAZOQDX-RPPGKUMJSA-N 477.731 5.395 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)c(Cl)c1)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])s1 12402296 PXLJEHRMTNHMFR-IBGZPJMESA-N 472.929 5.390 50 50 JKGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1 102291155 VCMCXTUQWLWKFZ-VUTHCHCSSA-N 451.611 5.281 50 50 JKGA O=C(NN=Cc1cccs1)c1cc(-c2ccc(N=Cc3cccs3)cc2)nc2ccccc12 252679719 QGZLACFZPOOXRR-UHFFFAOYSA-N 466.591 6.539 50 50 JKGA C[C@@](Br)(CBr)[C@H]1CC[C@](C)(Br)[C@H](Br)C1 256167051 BQAKZPPEUZUAJR-QCLAVDOMSA-N 455.854 5.252 50 50 JKGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1 13239316 HNZAKZFFCPHONX-STBIYBPSSA-N 470.642 5.933 50 50 JKGA COc1ccc2nc(Cl)c(/C=C(\C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2c1 22780594 NDLKBDIVWUDDAK-VIZOYTHASA-N 472.784 7.391 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)[nH]n2)cc1 102302518 KKGMZUHCZDTIII-TWKHWXDSSA-N 484.600 6.439 50 50 JKGA CCOC(OCC)[C@H]1C[C@H]2[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](CC)[C@H](C)C[C@@H]32)C1=O 169830660 HFUWDNDQYUAWBG-MUWTYCRGSA-N 452.752 6.299 50 50 JKGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1 2529588 XEHBVNRINNMFKN-OGLMXYFKSA-N 478.932 5.287 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCc2ccc(Cl)cc2)N1 4005975 BVPUKXWVNNPKEK-QHCPKHFHSA-N 478.042 6.670 50 50 JKGA COc1ccc2[nH]c(/C(C#N)=C\c3cc(Cl)c(OCc4ccccc4F)c(OC)c3)nc2c1 9934916 OHHSGSCUPBWHJI-MFOYZWKCSA-N 463.896 6.016 50 50 JKGA CCOC(=O)c1nc(-c2ccccc2)sc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100725682 HZHHELKUEFYWTB-UHFFFAOYSA-N 494.576 5.606 50 50 JKGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OCC)cc2)cc1 102279984 UZTMSLRPLKZWAI-TWKHWXDSSA-N 495.620 5.012 50 50 JKGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(Cl)c3Cl)cc2)cc1 2521696 ZMVHUOGDACTFDR-LGJNPRDNSA-N 457.313 5.050 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1cccs1 13895832 HILUEGMROBGNND-BUVRLJJBSA-N 468.007 5.282 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3Br)[nH]n2)cc1 102300583 PKEOHYHFNSTHED-OVVQPSECSA-N 497.437 6.342 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](Br)C(=O)[C@](C)(CCC(=O)O)[C@H]3CC[C@@]12C 257348985 KPIZABGNNPKJMS-GERSHNARSA-N 483.531 7.115 50 50 JKGA O=C(Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1Cl)c1ccc(Cl)cc1 4355222 SHIPJSSECBTEAQ-BRJLIKDPSA-N 492.156 5.739 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1 4355259 CZSPOFWXYRYLPZ-UVHMKAGCSA-N 477.775 6.388 50 50 JKGA O=C(CC12CC3CC(CC(C3)C1)C2)N/N=C/c1ccc(COc2ccc(Br)cc2)o1 8456186 LGIYKPPZWFODQG-VULFUBBASA-N 471.395 5.678 50 50 JKGA CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC([N+](=O)[O-])=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 118915737 AARKHEFUGCKAGW-LSEJKCCISA-N 450.107 8.240 50 50 JKGA COCO[C@H]1[C@H](C)C[C@@]23CCCC[C@@H](C[C@H](C#N)[C@H]4O[C@H](OC)O[C@]142)[C@H]3O[Si](C)(C)C(C)(C)C 216491643 PNVFTWSZFBATNB-QTOSCLGOSA-N 495.733 5.210 50 50 JKGA O=C(N/N=C/c1cccc2ccccc12)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 2521984 KARYPGHOJAEGJX-WGOQTCKBSA-N 463.946 5.058 50 50 JKGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c2)cc1 2530585 MWUIACWIJDYFNP-RWPZCVJISA-N 499.350 5.550 50 50 JKGA C=CCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc1 2531413 ILBCCMRUHKDRDA-JVWAILMASA-N 493.357 5.305 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2)cc1 4282746 YEEGCLKRLQDGTB-WPWMEQJKSA-N 450.922 5.502 50 50 JKGA CC(/C=N/NC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1)=C\c1ccccc1 9375186 CWWLFPQIIRORMW-LSJZNERCSA-N 450.542 5.783 50 50 JKGA O=C(NNC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccc(COc2ccc3ccccc3c2)o1 20534207 YOBITXJXEJWZLF-UHFFFAOYSA-N 486.380 5.950 50 50 JKGA CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccccc3)C3=C2CCCC3=O)sc2c1CCCCC2 714788 VTPLQIOBIDFPHK-QHCPKHFHSA-N 487.625 5.498 50 50 JKGA Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3F)cc1)C(C#N)=C(N)O2 718575 ZVNXFCWJMPCVHT-VWLOTQADSA-N 452.489 5.117 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccccc1 13942992 JTIJYGZPYPWMSK-YZSQISJMSA-N 461.978 5.220 50 50 JKGA COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C/c1cn(C(C)C)c2ccccc12 20550498 XZVHREJBWQOPJR-CPNJWEJPSA-N 469.566 6.283 50 50 JKGA C=CCSc1oc(-c2ccoc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100855307 WYNDPJTYPQMCMR-UHFFFAOYSA-N 468.538 5.832 50 50 JKGA CCc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 1773699 HCVLRVFCICANGL-WPWMEQJKSA-N 455.587 5.048 50 50 JKGA COc1ccccc1C(=O)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12 2553790 AVGOTKDAJCWDOS-LQKURTRISA-N 458.901 5.485 50 50 JKGA CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2cccc(Cl)c2C)C2=C1C(=O)CC(C)(C)C2 9982232 CQPQRISRJIPVOS-NRFANRHFSA-N 484.090 6.681 50 50 JKGA CC1(C)C/C(=N/NC(=O)c2cccnc2)c2c(nc(C(F)(F)F)c3[nH]c4ccccc4c23)C1 100631247 LSGSEUWEFCPDAZ-LJUMEUDFSA-N 451.452 5.236 50 50 JKGA Cc1ccccc1[C@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C1C(=O)C[C@H](c1ccccc1)C2 695908 ZAEWVPMRWVQYHR-PIKZIKFNSA-N 490.563 5.910 50 50 JKGA COc1ccccc1N1C(N)=C(C#N)[C@@H](c2ccc(Cl)c(Cl)c2)C2=C1CC(C)(C)CC2=O 1050357 JFFOIFSKSQAVPS-JOCHJYFZSA-N 468.384 5.943 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2C)=C(C#N)[C@@H]1c1ccccc1Cl 1229213 GCMCFMFWKUFSAY-DEOSSOPVSA-N 450.991 5.858 50 50 JKGA CCOc1ccccc1OCC(=O)Oc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC 1912871 VOBUUJUFUWASMW-XSFVSMFZSA-N 463.917 5.796 50 50 JKGA CCCCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 100371147 UTPRXNZHLBLPGZ-QUPMIFSKSA-N 492.688 9.281 50 50 JKGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1c2ccccc2cc2ccccc12 102294452 MLGQTEKSPDKTDT-NJZRLIGZSA-N 459.634 6.480 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 622841 CIWWZJDSDUQYJX-QFIPXVFZSA-N 489.362 6.181 50 50 JKGA N#CC1=C(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)NC(=O)C[C@H]1c1ccc(F)cc1 1252478 NLNGZDUOIIOUMT-QFIPXVFZSA-N 473.529 5.329 50 50 JKGA CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)c(COc2ccc(C(C)(C)C)cc2)c1 20213518 BVFQZLZSCXTVBD-HAVVHWLPSA-N 468.597 6.680 50 50 JKGA CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2ccccc2F)C2=C1C(=O)CCC2 1171748 RFPJMZKPCDIWRU-NRFANRHFSA-N 453.608 5.866 50 50 JKGA CC(=O)C1=C(C)NC(SCc2cccc([N+](=O)[O-])c2)=C(C#N)[C@@H]1c1ccc(Br)cc1 1199466 HEWBLJNVPJWBNE-NRFANRHFSA-N 484.375 5.576 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1 2326627 AKFPMDCCYRQURY-JFLMPSFJSA-N 476.005 5.447 50 50 JKGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 2520338 KWHFEZAZILPNSA-IBBHUPRXSA-N 489.934 5.091 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1 4335792 ZUCMPFQYCALQOI-HRJIBFCWSA-N 497.507 5.193 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1cccnc1 8986318 QMRKEUQLAZMUOF-VUTHCHCSSA-N 484.629 5.259 50 50 JKGA N#CC1=C(n2cccc2)N(c2ccc(F)c(Cl)c2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12 12377288 WHNDSLSZKKOULZ-HHHXNRCGSA-N 484.918 5.390 50 50 JKGA CN1C(=O)[C@@]2(C(C#N)=C(n3cccc3)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 12402246 BSZFXUSHBVEHEO-SSEXGKCCSA-N 492.554 5.397 50 50 JKGA C/C(=N/NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(-c2sc([N+](=O)[O-])cc2[N+](=O)[O-])s1 23115195 CQJSWAOXIZWRQA-JJFYIABZSA-N 474.564 5.350 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1 102290037 RSGQYQLNFZLTFY-ZXVVBBHZSA-N 454.567 5.514 50 50 JKGA N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)S(=O)(=O)c1ccc(Cl)cc1 1915608 KTSBIVLEMGVZCZ-LPYMAVHISA-N 488.790 6.020 50 50 JKGA O=C(Oc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1)c1ccc(Br)cc1 4259608 GCXJZGBRGJGUPQ-AFUMVMLFSA-N 463.287 5.178 50 50 JKGA CO[C@@H]1C[C@@H]2[C@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O 254848728 KUJXAJMABXMSCW-LIEGDQHDSA-N 460.775 7.170 50 50 JKGA CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 1195009 ZLUCMTDTZZMEHS-CPNJWEJPSA-N 464.363 5.801 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)c2cccs2)N1 8399650 POQQPPFZCNBEEA-JOCHJYFZSA-N 477.636 5.760 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccc(Br)s1 13239331 YOJIMDOLGCHTTM-FSJBWODESA-N 485.432 5.151 50 50 JKGA Cc1ccsc1/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl 13239692 FACWRXHIMARAHI-WYMPLXKRSA-N 455.008 5.350 50 50 JKGA CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 16448505 LJABDBZCYXUACF-JMIUGGIZSA-N 478.888 5.988 50 50 JKGA O=C(COc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 4261097 KFFWQUVPENUCDB-ZCTHSVRISA-N 474.516 5.741 50 50 JKGA Cc1cc(Br)cc(C)c1NC(=O)N(NC(=O)Nc1cccc(Cl)c1)c1ccccc1 19892840 PYDPIZZOEICSNV-UHFFFAOYSA-N 487.785 6.495 50 50 JKGA CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2cccc(Cl)c2C)C2=C1C(=O)CC(C)(C)C2 2520948 TVHNPUZTGGPHNM-OAQYLSRUSA-N 484.090 6.763 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1 2531505 LCZZBGHCQNBDQP-WKULSOCRSA-N 477.347 6.438 50 50 JKGA O=C(N/N=C/C(Br)=C/c1ccccc1)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 9554068 JVWUREFKOSSJIK-WFPAXVNTSA-N 464.150 5.535 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(n1cccc1)=C(C#N)[C@]21C(=O)Nc2ccccc21 12402286 BLETWQRUKCGQJS-LJAQVGFWSA-N 460.537 5.234 50 50 JKGA COC(=O)[C@]12C(=O)C[C@@H](Sc3ccccc3)C(C)(C)[C@H]1CCC[C@@H]2O[Si](C)(C)C(C)(C)C 169835218 CABFEEXBAPFLEM-MRESPNAKSA-N 476.755 6.496 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2cc(Cl)ccc2Cl)=C(C#N)[C@@H]1c1sccc1C 1199110 WBLRJGFBFRAKTM-FQEVSTJZSA-N 477.438 6.264 50 50 JKGA CO[C@H](C(=O)N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1)c1ccccc1 4209761 FBUOMJBLOGCGGE-QYJQOTDOSA-N 478.957 5.612 50 50 JKGA CCN(CC)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(OCc2ccc(Cl)cc2)c1 8439238 GXXORQFWZNYHII-RCCKNPSSSA-N 456.977 6.706 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/c1cccc2ccccc12 13239544 QZTVGIACAKNORS-MUFRIFMGSA-N 485.012 6.134 50 50 JKGA C/C(=N\NC(=O)c1c(O)ccc2ccccc12)c1cccc(NC(=O)c2cccc(Cl)c2)c1 13322094 AHFAUSSYYWSVLR-MUFRIFMGSA-N 457.917 5.605 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccccc2Cl)cc1 2531295 YIEVUKOMNGAOLD-MUFRIFMGSA-N 472.928 5.550 50 50 JKGA Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccc(OCc4ccccc4)cc3)cc2)cc1 4287221 CEAWPMWRBVWNQU-ZCTHSVRISA-N 480.564 5.682 50 50 JKGA N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1nc(O)c2ccccc2n1 16293619 ZBNYESHNEMLGGD-XMHGGMMESA-N 473.492 5.023 50 50 JKGA C/C(=N\NC(=O)c1sc2cc(Cl)ccc2c1Cl)c1cccc(NC(=O)C(F)(F)F)c1 20158498 XQHFNPGTJWBIJW-JQAMDZJQSA-N 474.291 5.863 50 50 JKGA Cc1cc(Br)ccc1N1C2=C(C(=O)CCC2)[C@H](c2ccsc2)C(C#N)=C1n1cccc1 1432006 BPSBKYHMDFSDMF-HSZRJFAPSA-N 490.426 6.624 50 50 JKGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1ccc(Br)cc1 2553591 OTWKVTJOCLMWPD-ZMOGYAJESA-N 457.711 5.086 50 50 JKGA Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 2834367 JCYRMQWUPKXHPJ-OQKWZONESA-N 494.576 6.699 50 50 JKGA COc1cc(/C=C(\C#N)c2nc3ncc(Br)cc3[nH]2)ccc1OC(=O)c1ccccc1 12628428 VVTOOOPPCWJJEU-CXUHLZMHSA-N 475.302 5.012 50 50 JKGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3c(O)ccc4ccccc34)nc3ccccc32)cc1 13239237 XLRKQOXWRWPVKQ-MUFRIFMGSA-N 480.593 5.494 50 50 JKGA C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](c2ccncc2NC(=O)OCc2ccccc2)C1 202242478 PRXMPDREOFIZON-NNWRFLSQSA-N 454.687 7.124 50 50 JKGA CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(C)cc2)N1 1136876 PBVABYKITAUIGZ-RUZDIDTESA-N 487.556 5.678 50 50 JKGA CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3Br)o2)c1 1195359 AEFLDSCFRBZMEU-FOWTUZBSSA-N 451.320 5.962 50 50 JKGA O=C(Oc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1)c1ccccc1Br 2584968 CNJQSXIEOLANAA-JVWAILMASA-N 473.326 5.585 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)cc2)cc1 4258809 FEJBTYNDOWBYAQ-NJZRLIGZSA-N 480.564 5.931 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2OC)cc1 4331074 MTLNEYHDYXIGAU-RDRPBHBLSA-N 468.509 5.230 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2Cl)=C(C#N)[C@H]1c1ccc(F)cc1 16676284 OAWOYNSYNDUHDG-JOCHJYFZSA-N 475.372 6.034 50 50 JKGA Cc1cc([C@@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3Cl)C3=C2C(=O)CC(C)(C)C3)c(C)s1 25782571 RQMDCKCURGSECL-OAQYLSRUSA-N 482.993 5.867 50 50 JKGA CC(C)[C@H]1CC[C@@]2(C)C[C@@H]3[C@H](C[C@H]12)[C@]1(C)O[C@@]3(C)CC[C@H]2[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]21 169833939 NXWHDNDYDZDSJS-FGPQWDMASA-N 488.873 8.705 50 50 JKGA O=C(Nc1ccc(C(F)(F)F)cc1)N(/N=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1 1875327747 JIFWSRZKGTUSRZ-UVHMKAGCSA-N 452.263 7.085 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2OCC)cc1 2553558 SEXHHSJDIGQMIR-AJBULDERSA-N 496.563 6.010 50 50 JKGA C[C@@H]([C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1 100009578 CJWQFYFYZIWGAK-VWLOTQADSA-N 473.601 8.388 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)c(OC)c1 102269555 QKXHLZGWHFTKTB-OADQYJAJSA-N 450.579 5.905 50 50 JKGA C[C@]1(Br)CC[C@H]([C@](C)(Br)CBr)C[C@@H]1Br 104103630 BQAKZPPEUZUAJR-AATLWQCWSA-N 455.854 5.252 50 50 JKGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1cccc(C(F)(F)F)c1 649348 DOODYHJAUCHUQK-QFIPXVFZSA-N 470.447 5.108 50 50 JKGA CCOc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1 4293288 WZTPEYBPIWDLLF-MZJWZYIUSA-N 473.356 5.500 50 50 JKGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccc(C)cc4)cc3)n[nH]2)cc1 9374806 VFFGPOIXZYKORD-NDZAJKAJSA-N 481.600 5.574 50 50 JKGA CCOc1cccc(-c2cc(C(=O)N/N=C(\CC)c3cc(O)ccc3O)c3ccccc3n2)c1 13321423 KAPQFOLACRKCDO-BYNJWEBRSA-N 455.514 5.256 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1[N+](=O)[O-])C(N)=C(C#N)[C@H]2c1ccccc1[N+](=O)[O-] 13882204 HLDMLXIATZSSPR-OAQYLSRUSA-N 493.907 5.097 50 50 JKGA C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2Cl)cc1 20158167 OKXLEQWPYCJAHN-JFLMPSFJSA-N 456.329 5.165 50 50 JKGA CC(C)(C)c1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(O)cc3)n2-c2ccccc2)cc1 2339141 XYCJQTAQLAFHMF-OGLMXYFKSA-N 485.613 5.180 50 50 JKGA O=C(Oc1ccc2ccccc2c1/C=N/NC(=O)c1cccc2ccccc12)c1ccc(Cl)cc1 2553195 UHXJZLCFKGWIHZ-FDAWAROLSA-N 478.935 6.630 50 50 JKGA O=C(N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1)[C@H]1COc2cc3ccccc3cc2O1 9948605 LZHDYXVTUYFMRS-BOGNPUBTSA-N 467.308 5.697 50 50 JKGA CCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 13239550 QJXNRLNOQPRRIQ-JFLMPSFJSA-N 479.005 5.379 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](Br)C[C@]4(C)[C@H]3CC[C@]12C 257355889 DHZKAQAKUFROMZ-QHRUMTEMSA-N 465.560 8.050 50 50 JKGA O=C(N/N=C/c1ccc(Cl)cc1)c1scc2c1NC(=O)C2(c1ccccc1)c1ccccc1 685943853 CPEIGNBBHZTNHY-RWPZCVJISA-N 471.969 5.452 50 50 JKGA Cc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 4209624 YXHGMQJQIINJBI-MZJWZYIUSA-N 478.957 5.611 50 50 JKGA CN(C)C1=C(C#N)[C@H]([C@@H]2CCCCC2=O)c2c(c3ccccc3n2C)N1c1ccc([N+](=O)[O-])cc1 9322325 KVEPXIHNJAIJLF-YKSBVNFPSA-N 469.545 5.378 50 50 JKGA CC(C)c1ccc(/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 12382909 NKYIKZDTWRNXLR-NVMNQCDNSA-N 477.383 6.867 50 50 JKGA O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc(/N=N/c2ccccc2)ccc1O 13898720 YOWBOSVXLDYLFB-HDARYGDVSA-N 487.741 5.753 50 50 JKGA Cc1ccccc1COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OC(C)C)cc4)c32)c1 20418652 OGGZZMMSFFQNMF-SANMLTNESA-N 492.579 5.970 50 50 JKGA N#C/C(=C\c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 20457408 NRAUZTCXZWKXBC-OQLLNIDSSA-N 471.822 5.948 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 102271546 YOBQZANOMNKKAR-OGLMXYFKSA-N 493.431 6.812 50 50 JKGA Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1cc(/N=N/c2ccccc2)ccc1O 108936656 CMZHHOWMDIMHKT-ZGQMNJRFSA-N 481.350 5.716 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@H]2c1ccc(C(C)(C)C)s1 8442700 DDFGSFDZPRDVBI-QFIPXVFZSA-N 476.602 5.895 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cc(Cl)cc(Cl)c1)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])s1 12402290 JUYOBXRFDWYLJI-IBGZPJMESA-N 489.384 5.904 50 50 JKGA CCCCCCCCCCCCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 100501054 WCNKMAUHIXKAHC-UQRQXUALSA-N 472.677 7.609 50 50 JKGA O=C(NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1 100855411 ZPLWXYXWIDATFX-UHFFFAOYSA-O 467.312 5.608 50 50 JKGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2ccco2)cc1 102316706 GEVKJEHNGLKAPX-MWAVMZGNSA-N 497.636 5.766 50 50 JKGA Cc1ccc(SC(Sc2ccc(C)cc2)=C(C#N)NC(=O)c2cccc3ccccc23)cc1 252494320 NRWFEMNWZKVEBT-UHFFFAOYSA-N 466.631 7.464 50 50 JKGA CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H](SC#N)[C@@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 257347665 OZCSWRIJMBFXQD-PCDYCPKGSA-N 485.778 8.152 50 50 JKGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 2759003 KUCOKFVSMSAZIU-HSZRJFAPSA-N 491.378 5.720 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccc(Br)cc1 5296899 OYCYGPAYCLGHLT-WPWMEQJKSA-N 493.430 5.480 50 50 JKGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)[nH]n1 13618505 YBHVRPCHEBTNPL-WKULSOCRSA-N 483.959 5.863 50 50 JKGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)c(Cl)c4)ccc32)cc1OC 826692000 WJMJLNMPNVWTSD-QHCPKHFHSA-N 497.334 5.448 50 50 JKGA CC1(C)C2=CC[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]3(C)[C@@H](OC(=O)CCl)C[C@H]1CC2 1501069150 DWJZWKHFYVIJBX-ANQNUPMTSA-N 469.182 7.490 50 50 JKGA CN(C)c1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 2089820 AKOTWWOOWGNISC-RBTNQOKQSA-N 495.026 6.104 50 50 JKGA CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C1C(=O)CCC2 2520947 NCMGZVQDGYWTMA-HXUWFJFHSA-N 466.588 5.382 50 50 JKGA N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 2855775 BRVJHWFVXYAPBT-FYJGNVAPSA-N 477.891 6.276 50 50 JKGA O=C(N/N=C/c1cc2ccccc2nc1Cl)c1ccc(COc2ccc(Cl)cc2)cc1 4210794 HDLGLKMPIKQHSQ-MZJWZYIUSA-N 450.325 5.885 50 50 JKGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1ccncc1 4282552 FVLIDEBNBDJUHE-ZCTHSVRISA-N 473.536 5.277 50 50 JKGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(Cl)cc2)cc1 4282874 BFQXITSCFVYTAW-DHRITJCHSA-N 471.738 5.394 50 50 JKGA COc1ccccc1/C=C/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1 13208749 LXUCPBVDTUEIEM-IWUXQYJBSA-N 456.571 5.001 50 50 JKGA COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 20418639 LKLMIJYGCWKZGZ-XMMPIXPASA-N 464.525 5.191 50 50 JKGA CCOP(=O)(OCC)[C@](O[Si](C)(C)C)(C(C)C)[P@](=O)(OCC)C(=O)C(C)(C)C 169805869 GRVRDSSQQLJHNZ-HFJWLAOPSA-N 458.545 6.301 50 50 JKGA CO[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC 169806527 UWZZATWXHUNWJV-UHFFFAOYSA-N 452.283 5.480 50 50 JKGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1 2552589 YZZMLCZVHRCULG-MZJWZYIUSA-N 491.956 5.171 50 50 JKGA O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 2570275 QXYQBHBHLGTVMP-OGLMXYFKSA-N 487.353 5.514 50 50 JKGA O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1)c1ccccc1Cl 2576218 NEUSYVHHMYYSLN-ZMOGYAJESA-N 457.711 5.086 50 50 JKGA CCOc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1 4210723 RDAPNXRIKSXMTF-JFLMPSFJSA-N 478.957 5.937 50 50 JKGA CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 4283497 OBRDKRMNTRANNM-VSWHYLHOSA-N 497.935 5.144 50 50 JKGA CCCc1cc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cs1 20568889 KCYPWSUQVNXKDK-BRJLIKDPSA-N 491.838 6.459 50 50 JKGA O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1sc2ccccc2c1Cl 25583967 IIGGZYXONYPFRX-LGJNPRDNSA-N 499.817 6.660 50 50 JKGA CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2cccc(C(F)(F)F)c2)C2=C1C(=O)CCC2 27550513 JRYUPWGTDWIXPT-IBGZPJMESA-N 475.561 6.184 50 50 JKGA CC(C)(C)[Si](OCCC[C@H]1CC2=CCC[C@@]3(C)[C@H](C1=O)[C@@H]23)(c1ccccc1)c1ccccc1 257358337 SVXWLSYXLYSVIN-JXWYHAFMSA-N 458.718 5.905 50 50 JKGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(CSc2ccc(Br)cc2)c(C)cc1C 2727717 FFNKVUAVJGXUGD-JOCHJYFZSA-N 499.430 5.613 50 50 JKGA CCCCOc1ccc(OCC(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 4259196 HSTGAKRXCUHVIG-AJBULDERSA-N 496.563 5.767 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccccc2Cl)=C(C#N)[C@@H]1c1ccc(Cl)cc1 16676249 ZVJWZHGCPPEVQE-QFIPXVFZSA-N 457.382 5.894 50 50 JKGA C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 25584303 YLPHWSFJJBMWHF-OVIXESLISA-N 464.521 5.376 50 50 JKGA COc1ccc(O/C=C/[C@@]23CC[C@@H](C[C@]2(O)C2=C[C@H](O[Si](C)(C)C(C)(C)C)CCC2)C3(C)C)cc1 257356091 FRBNTCDQRXOTGA-PLRKHGRLSA-N 498.780 7.646 50 50 JKGA CC(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 1813726 PGYKQQXYFYXJGP-LQKURTRISA-N 490.032 5.954 50 50 JKGA COc1cc(/C=N/NC(=O)COc2cc(C(C)C)ccc2C)ccc1OC(=O)c1ccc(Cl)cc1 2506385 UYFXYWLFLAGJSM-WKULSOCRSA-N 494.975 5.529 50 50 JKGA O=C(Oc1ccc2ccccc2c1/C=N/NC(=O)C1CCCCC1)c1ccc(Cl)cc1Cl 2531246 OKJJMRDTKIZFQJ-RWPZCVJISA-N 469.368 6.396 50 50 JKGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(Cl)c1Cl 102284500 WABOZKXRTSDOPT-WPWMEQJKSA-N 456.458 6.261 50 50 JKGA CCc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc1 2531557 CNJWAYYTZKGQAB-JFLMPSFJSA-N 495.373 5.068 50 50 JKGA COc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)cc1 2532324 KGXJEODGYGRWQV-LQKURTRISA-N 458.901 5.485 50 50 JKGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cn[nH]c2-c2ccccc2)c([N+](=O)[O-])c1 3186640 WJOCGVAICHNVSQ-MZJWZYIUSA-N 477.565 5.228 50 50 JKGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCCC)cc3)cc2)cc1 25504645 QLHSPRVMSUTGRA-TURZUDJPSA-N 458.514 5.023 50 50 JKGA Oc1ccccc1/C=N\c1ccccc1SSc1ccccc1/N=C/c1ccccc1O 95918561 OUHYXWHJDDKIAZ-HJVIKEODSA-N 456.592 7.398 50 50 JKGA CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)c1cc3n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N3)C2 245239064 FBMLHCJNVNTSAR-LJIYKDOXSA-N 477.506 5.615 50 50 JKGA CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2ccc(C)c(Cl)c2)C2=C1C(=O)CCC2 2520938 XDWWIRICYNSOOD-HXUWFJFHSA-N 456.036 6.127 50 50 JKGA CC(C)Cc1ccc(-c2cc(C(=O)N/N=C/C(Br)=C/c3ccccc3)[nH]n2)cc1 5319256 WZECFPMLJXRUIW-KQQBXRMLSA-N 451.368 5.427 50 50 JKGA CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCC(=O)Nc1ccccc1 15799086 CFISCYIDVAWMBI-XSFVSMFZSA-N 489.959 5.610 50 50 JKGA Cc1cccc(OCCOc2ccc(Br)cc2C=NNC(=O)Nc2ccccc2)c1 951054198 MJFKVPFGLMVNLS-UHFFFAOYSA-N 468.351 5.371 50 50 JKGA CCOc1ccc(OCC)c([C@@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CCC3)c1 1111365 CTVSTUJMEQRGQO-RUZDIDTESA-N 488.544 5.005 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)cc1 4230219 RGFRYCIZQYSNLF-NJZRLIGZSA-N 496.611 6.271 50 50 JKGA CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CC(C)(C)C2 5949770 WQETWAQDWAJDNY-FQEVSTJZSA-N 470.063 6.454 50 50 JKGA Cc1ccc(N2C3=C(C(=O)CC(C)(C)C3)[C@H](c3cccs3)C(C#N)=C2n2cccc2)c([N+](=O)[O-])c1 12447360 NXKFBLSDLLCGLA-DEOSSOPVSA-N 484.581 6.406 50 50 JKGA C/C(=N/NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccc(NS(C)(=O)=O)cc1 20572663 DWBNLXUAJNIYJI-NTFVMDSBSA-N 492.988 5.081 50 50 JKGA COc1c(CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc2c(c1OC)OCO2 1848444043 DUEJPNDNEMSGOS-UHFFFAOYSA-N 485.540 5.359 50 50 JKGA O=C(N/N=C/c1cccc2ccccc12)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 2521858 QTDXIOMYSSDMRA-WGOQTCKBSA-N 463.946 5.058 50 50 JKGA COc1ccc(-c2nnc(SCC(=O)N/N=C/C(C)=C/c3ccccc3)n2-c2ccc(C)cc2)cc1 9019013 CQEDDUJKQIVSAB-GLKHXJLKSA-N 497.624 5.549 50 50 JKGA Cc1cc([C@@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CC(C)(C)C3)c(C)s1 2520974 GIFVCJCULYCEJB-OAQYLSRUSA-N 471.548 6.325 50 50 JKGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(COc3cccc(Br)c3)o2)[C@@H]2CCCC=C12 2769766 SLTAHEKJUBASFZ-KNQAVFIVSA-N 475.346 5.215 50 50 JKGA Cn1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])c2ccccc21 3186688 VVTPEHUKWUUCDR-MZJWZYIUSA-N 464.566 5.329 50 50 JKGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3c4ccccc4cc4ccccc34)cc2)cc1 4231824 XBZTXHRBBHUUTR-NDZAJKAJSA-N 493.588 5.866 50 50 JKGA Cc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccccc2)cc1 12843313 MNXYEIJZESFHIS-UHFFFAOYSA-N 483.678 5.967 50 50 JKGA CSc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc1 13205370 MZUGXWWUMURCAA-CVKSISIWSA-N 460.628 5.357 50 50 JKGA CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)cc1OC 1775976292 LECBGRUUYNGLGZ-LZZUIANGSA-N 482.536 5.321 50 50 JKGA CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3)c2C)sc2c1CCCC2 1190163 MRUVHIFJOZBTJZ-HMMYKYKNSA-N 473.598 5.757 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/c1ccc(F)cc1 13239564 UVLBMJSUJNYMDC-LGJNPRDNSA-N 452.942 5.120 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCl)CC[C@]4(C)[C@@H]3CC[C@]12C 253525023 XUXXPLDKUZSGKH-CMMXEVFZSA-N 463.146 8.178 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1ccco1 863896 MCADLBYEMCPKQH-PCLIKHOPSA-N 465.966 5.122 50 50 JKGA Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C1C(=O)CC(C)(C)C2 1422437 ZHNSDDGFMODTFX-SANMLTNESA-N 492.501 5.061 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccs3)nnc2-c2ccc(Cl)cc2)cc1 2324939 NWIBXGWSUBGUMT-ZMOGYAJESA-N 468.007 5.200 50 50 JKGA COc1ccc(Br)cc1/C=N/NC(=O)C1CC(c2ccccc2)(c2ccccc2)C1 2860375 IUCSVUZDDITMFN-WPWMEQJKSA-N 463.375 5.304 50 50 JKGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1ccc(O)cc1 4259643 JILHEIBEWFHVNM-ZCTHSVRISA-N 488.547 5.588 50 50 JKGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1 4372670 YPDJSMQLTUZBPB-RJGITAPLSA-N 450.538 5.850 50 50 JKGA CC12C[C@H](Br)[C@H](Br)CC1(C)C[C@@H](Br)[C@@H](Br)C2 104286363 CXHKDKVYYZDCRY-NRHVMQQASA-N 481.892 5.641 50 50 JKGA CCOc1ccc(NC(=O)C(=O)N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@H]4CC[C@]23C)cc1 245253746 MNXVBXWQINRGGF-AIJCALJCSA-N 489.616 5.061 50 50 JKGA COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)c(Cl)c4)ccc32)cc1 824659947 VYZWVDUFXSMVRZ-JOCHJYFZSA-N 467.308 5.439 50 50 JKGA COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1C(C)C 8667080 HQOJPEQZHHGUCC-ZHZULCJRSA-N 466.541 5.777 50 50 JKGA N#C/C(=C\Nc1cccc(Br)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 16671814 MDYVXBXKMWLEIK-PKNBQFBNSA-N 451.176 6.856 50 50 JKGA COc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)sc2c1 25584182 QUUQENYRMYCQRB-VULFUBBASA-N 450.947 5.906 50 50 JKGA CCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCC 85836419 QWZBEFCPZJWDKC-UHFFFAOYSA-N 494.845 11.019 50 50 JKGA CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCl)CC[C@]4(C)[C@H]3CC[C@@]21C 118913253 XUXXPLDKUZSGKH-MSZUPSMGSA-N 463.146 8.178 50 50 JKGA COCCOCO[C@@H]1C=C2CC[C@H]3C=CC(OC)=C[C@@]2(CC1)[C@H]3O[Si](C)(C)C(C)(C)C 216468307 MUTKFKKTAIWCQK-YALMDMJRSA-N 450.692 5.599 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)[C@@H]5O[C@@H]5[C@H](C)C(C)C)CC[C@H]4[C@@]34CC[C@]2(C1)OO4 257349977 TUUMXOVLVDUNHM-ZRHDOZTOSA-N 488.709 6.480 50 50 JKGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(OCc2c(F)cccc2Cl)cc1 1089501 OLZDREOHJAIRNX-LMKMVOKYSA-N 490.918 5.860 50 50 JKGA aggregator N#CC1=C(n2cccc2)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@H]1c1cccs1 1432895 IKNZBGNSNKLMHC-JOCHJYFZSA-N 499.945 7.225 50 50 JKGA O=C(NNC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Nc1ccc(Cl)cc1C(F)(F)F 2167808 HVSMCNQIMGNDNH-UHFFFAOYSA-N 475.176 5.889 50 50 JKGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2532093 YMNHCIQETLRDFV-RPPGKUMJSA-N 463.748 5.755 50 50 JKGA N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1)c1nc2ccccc2[nH]1 8809518 RGGBXRRGTBAYGP-XDHOZWIPSA-N 470.363 6.846 50 50 JKGA Cc1ccc(N2C3=C(C(=O)CC(C)(C)C3)[C@@H](c3sccc3C)C(C#N)=C2n2cccc2)c([N+](=O)[O-])c1 12447343 HEXAHUBAMAZEHT-DEOSSOPVSA-N 498.608 6.714 50 50 JKGA N#CC1=C(SCC(=O)NCc2ccccc2)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1Cl 13176788 DINOKDRFMHOUSJ-QFIPXVFZSA-N 498.435 5.472 50 50 JKGA CCCCCOCCCCCc1ccc(C(=O)Oc2ccc(OC(=O)[C@@H](Cl)C(C)C)cc2)cc1 95099938 YXHCWKYYGYLKDO-SANMLTNESA-N 489.052 6.994 50 50 JKGA C[Si]1(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O1 169746966 URZHQOCYXDNFGN-UHFFFAOYSA-N 468.537 6.123 50 50 JKGA in-vitro C=CC[C@]1(O)[C@@H](C(OCC)OCC)C[C@H]2[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@H](CC)[C@H](C)C[C@@H]12 169830653 WKYJVUOFSCMIMO-IDLWENJISA-N 494.833 7.038 50 50 JKGA CCc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc(OC)c(COc4ccc(F)cc4)c3)sc2c1 2089991 HDMMIVPYXVWJMU-IPPBACCNSA-N 496.991 6.608 50 50 JKGA CSc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 2354606 WNMQNOMVCWYZQF-WGOQTCKBSA-N 473.627 5.207 50 50 JKGA O=C(COc1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 2571674 OSRHWQBVGRDPRD-LQKURTRISA-N 458.901 5.242 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)c(C)c2)=C(C#N)[C@H]1c1ccc(Br)cc1 2921806 BEEFTJFLJDAJSR-XMMPIXPASA-N 495.442 5.967 50 50 JKGA CO[C@@H](C(=O)N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1)c1ccccc1 4209762 FBUOMJBLOGCGGE-TVYAFPLLSA-N 478.957 5.612 50 50 JKGA O=C(N/N=C/C=C/c1ccccc1)c1cc(-c2ccccc2OCc2ccc(Cl)cc2)[nH]n1 4527959 NFRJHKHKEVGPGM-BCPKMMRNSA-N 456.933 5.738 50 50 JKGA COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCC(=O)c4ccc(C)cc4)cc3)n2)cc1OC 16319993 HPAWPRVUTWYFNT-OEAKJJBVSA-N 496.588 6.462 50 50 JKGA C[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95676609 REPFTMOJFHVIBT-VKHMYHEASA-N 488.025 5.939 50 50 JKGA in-vitro Cc1ccccc1P(c1ccccc1C)[C@@H](C)[C@H]1CCC[C@@H]1P(c1ccco1)c1ccco1 261364481 OUFDMQFHHZIZJR-XFAFFCHDSA-N 474.521 6.612 50 50 JKGA COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OCc1ccccc1 989002 OXMMDOYTNHRTQD-HHHXNRCGSA-N 478.552 5.295 50 50 JKGA CCc1ccc([C@@H]2C(C#N)=C(SCC(=O)c3cccc(Cl)c3)NC(C)=C2C(C)=O)cc1 1199008 PDHQNRZNPAUWIZ-XMMPIXPASA-N 450.991 5.803 50 50 JKGA N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1Cl 2966982 HOMHBMCQFONCJR-LICLKQGHSA-N 457.744 6.771 50 50 JKGA CC(=O)C1=C(C)NC(SCc2ccccc2[N+](=O)[O-])=C(C#N)[C@@H]1c1ccccc1Br 13881999 TVWAEOREKSLPIC-NRFANRHFSA-N 484.375 5.576 50 50 JKGA CC(C)c1cc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(C(F)(F)F)c2)cs1 20550114 NAYRMJGBSLOEHH-IPBVOBEMSA-N 480.939 6.887 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 2542484 DRZJEVHKCYGXDQ-WMMCOQJOSA-N 486.955 5.938 50 50 JKGA COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1ccc(Cl)cc1 2584765 MLQDKCNJVJEQSH-DHRITJCHSA-N 473.754 5.454 50 50 JKGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 4360107 HYRWWUIUMLSNRT-RPPGKUMJSA-N 463.748 5.755 50 50 JKGA CCCCc1ccc(OCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 4360285 WHDBNGPXAXXYJY-OGLMXYFKSA-N 464.949 5.431 50 50 JKGA CC(C)(C)C1=CC(=C(C#N)C#N)C=C(/C=C/c2cc3c4c(c2)C(C)(C)CCN4CCC3(C)C)O1 21982300 HXWWMGJBPGRWRS-CMDGGOBGSA-N 453.630 7.057 50 50 JKGA C/C(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1 101541421 JEWCTBLWCCRKAX-WCMJOSRZSA-N 487.909 6.089 50 50 JKGA CC(C)[Si](O[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H](O)[C@H]1c1ccc(O)cc1)(C(C)C)C(C)C 169958910 LFWGXIVKBPLQMD-OYUWMTPXSA-N 499.724 6.050 50 50 JKGA CC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 666934 GCCLCKMGWIQRPL-MUAVYFROSA-N 480.995 6.804 50 50 JKGA CSc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 1833636 CJBXSZGKZNYMDP-JVWAILMASA-N 487.654 5.515 50 50 JKGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2521110 LFAOZELRMVMFJM-RWPZCVJISA-N 483.351 5.470 50 50 JKGA CSc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 2570315 XJEKSAJLLMOIBD-QFIPXVFZSA-N 450.007 6.003 50 50 JKGA O=C(c1ccc(C(Cl)(Cl)Cl)c(C(Cl)Cl)c1)C(Cl)(Cl)c1ccccc1 3080694 BODSYKFSRVBZMI-UHFFFAOYSA-N 465.418 7.503 50 50 JKGA COc1cccc(-c2n[nH]c3c2[C@@H](c2cccc(OCc4ccc(C)cc4)c2)C(C#N)=C(N)O3)c1 20367394 AFUPXVMCEMJVFH-DEOSSOPVSA-N 464.525 5.191 50 50 JKGA CC/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)c1cccc(Cl)c1 20551544 XUYQCFFXHAMJHQ-JBASAIQMSA-N 482.798 7.406 50 50 JKGA N#C/C(=C\c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)S(=O)(=O)c1ccccc1 1118181 PYQQKDWUMYGQBJ-HYARGMPZSA-N 466.484 6.047 50 50 JKGA O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1c(F)cccc1Cl 2366584 CFARLTYZSHQFJF-GZIVZEMBSA-N 487.434 5.519 50 50 JKGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccc(OC(=O)c4ccccc4F)cc3)cc2)cc1 2552840 HOEBTAXUUAAGNX-FDAWAROLSA-N 482.511 5.696 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@H](CC[C@@H]4[C@H](C)/C=C/[C@H](C)C(C)C)[C@@]34CC[C@]2(C1)OO4 257355716 CFMKCUWPLCALSC-FGHSNXMZSA-N 470.694 7.189 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3c(F)cccc3Cl)n2-c2ccccc2)cc1 2335321 GJMZBOBNSZMKBM-MZJWZYIUSA-N 479.968 5.278 50 50 JKGA O=C(N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12)c1cc2ccccc2cc1O 2532204 PCQWCIUDVIMUBQ-KBVAKVRCSA-N 494.934 6.335 50 50 JKGA COc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)cc1OC 2542806 QCJHBFMQDMHEBL-MUFRIFMGSA-N 488.927 5.494 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccc1Cl 2584840 YPQUKFSZDWACGV-RPPGKUMJSA-N 477.731 5.639 50 50 JKGA COc1ccc(/C=C2/CCCC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2OC)c(OC)c1 17143414 FUUBNJNDENGICH-RRZPITBASA-N 460.530 5.050 50 50 JKGA N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(C(F)(F)F)c1)C(=O)NCc1cccnc1 20437061 GGXBFRDPSRPBCZ-VXLYETTFSA-N 471.866 5.556 50 50 JKGA COC(=O)c1cccc([C@H](C)Br)c1-c1c(C(=O)OC)cccc1[C@H](C)Br 2172032 KSPHOTRSFXDUKL-RYUDHWBXSA-N 484.184 5.839 50 50 JKGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/C(Cl)=C/c1ccccc1 2592204 MUVZOXGFVHCPFR-VXKXJMSPSA-N 461.037 5.304 50 50 JKGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1C 4259027 DGFPVZZUEZAYHS-STBIYBPSSA-N 452.510 5.205 50 50 JKGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)[nH]n1 5297234 ATOPZKAOIFGEAZ-FDAWAROLSA-N 470.532 6.309 50 50 JKGA Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 13174314 VFWFSFFIFOURGW-QHCPKHFHSA-N 497.542 5.815 50 50 JKGA COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1ccc(COc2ccccc2C)o1 20419057 URUOUXYZVFLJLK-GZTJUZNOSA-N 464.543 5.684 50 50 JKGA O=C(N/N=C/c1nc2c(Cl)cc(C(F)(F)F)cn2c1-c1ccccc1)c1ccc(Cl)cc1 263639813 JYAKTIIVILXHNK-IPBVOBEMSA-N 477.273 6.091 50 50 JKGA COc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1 2597255 WELJQFPKUFJARB-LGJNPRDNSA-N 459.329 5.110 50 50 JKGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 4282645 NKEBAMCIJRVATQ-AZFHEMCLSA-N 470.550 5.552 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1 16677381 QEWWYXJJXHHLJS-JOCHJYFZSA-N 482.403 5.106 50 50 JKGA CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccn2)ccc1OCc1cccc(C(F)(F)F)c1 20175992 JVBFTNOGCIIXSF-NDENLUEZSA-N 481.474 5.301 50 50 JKGA COc1cccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c1OCc1c(F)cccc1Cl 20551289 SNQOODNORRWWLJ-LCJWNIEWSA-N 464.924 5.851 50 50 JKGA Cc1c(CBr)cccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101012494 NJSNYISNVRZPCY-UHFFFAOYSA-N 460.375 6.384 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@H]2c1ccc(Br)s1 1435781 HNXWDXAUFDYQIF-IBGZPJMESA-N 499.390 5.360 50 50 JKGA O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Br)[C@@H](Br)c1ccccc1 1751348 YZCDLXPUEHWGSE-KBPBESRZSA-N 451.080 5.544 50 50 JKGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cccc(Cl)c2)cc1 2520228 BKRZHCIHXFXAIU-DHRITJCHSA-N 471.738 5.394 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2529584 VNQSQSGMMYWMDC-MZJWZYIUSA-N 487.339 5.384 50 50 JKGA COc1ccc(OCC(=O)N/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1 4210457 YLGZWXPOKXQQOV-MZJWZYIUSA-N 494.956 5.312 50 50 JKGA CCCOc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)cc1 4230281 DAZCWEYAPNIFHJ-TWKHWXDSSA-N 482.584 5.881 50 50 JKGA COc1cc([C@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1OC(C)=O 19760773 BJJNTJLKTDPYNM-CJAUYULYSA-N 462.933 5.159 50 50 JKGA CCc1ccc(C(=O)N/N=C(\C)c2cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2)s1 20212898 UHZQFVIJVLIWFS-ORBVJSQLSA-N 483.409 5.236 50 50 JKGA CCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OCC)cc2)c(OC)c1 102275609 GSCNPHVTPVXQET-ZXVVBBHZSA-N 454.567 5.514 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H](O)[C@H](Br)[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257358981 XSXHTVGXMMGURA-XSWRGLRESA-N 483.575 6.813 50 50 JKGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)ccc1OC(=O)/C=C/c1ccccc1 2521226 JBIXARJBMVRBPR-VIMVSQPUSA-N 494.547 5.385 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1cc2ccccc2cc1O 2544314 ROKGGSNZGPEPDH-JFLMPSFJSA-N 489.325 5.291 50 50 JKGA CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 2553530 GIMPMZAMFAJJIK-JEWIKEISSA-N 497.935 5.144 50 50 JKGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 4259260 QEUQKSJTYDUOEF-PCHPKZPRSA-N 476.935 6.129 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cccc(C)c2)cc1 2531844 PNHAPGQKUHMZAC-CVKSISIWSA-N 481.346 5.139 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1 2584707 HCPZPPZHVFPIPR-UVHMKAGCSA-N 491.758 6.029 50 50 JKGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 4209887 HXPRLWKQJWYSTF-ZCTHSVRISA-N 489.579 5.719 50 50 JKGA C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4230033 QGUOFXLAKDLASI-OJPXDDBDSA-N 456.473 5.116 50 50 JKGA Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(-c4ccccc4)cc3)cc2)cc1 4283586 QHTYCZADYUBRPW-ZEXXOWEESA-N 464.565 6.159 50 50 JKGA C=CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3O)nc3ccccc23)cc1OCC 20175913 FYDGTCAJTIODNN-RDRPBHBLSA-N 467.525 5.335 50 50 JKGA COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@]12C 253500760 XDHSPKUJYNEBHS-MGZGIWNVSA-N 481.471 5.308 50 50 JKGA C/C(=N\NC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2cc(C)on2)cc1 1005703 POIDJDPVJXCLRJ-RPPGKUMJSA-N 487.368 5.911 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccccc2Cl)c1 2531349 IWZOFQSEPVYVND-MUFRIFMGSA-N 472.928 5.550 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)c1ccc(F)cc1 2532168 USZAYWDVSWGPGN-UXHLAJHPSA-N 482.467 5.028 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 2543096 CDLMZNAQPAGBNH-MUFRIFMGSA-N 485.927 5.110 50 50 JKGA C=CCOc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1 4210551 KHPPETDZZBBWMI-LQKURTRISA-N 490.968 6.103 50 50 JKGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 4366066 ZNBFHDJMVRPBKO-IXORVSQSSA-N 457.313 5.130 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]4[C@@]34CC[C@]2(C1)OO4 257348927 KANYZLRHIUEPFK-WCSDQGNISA-N 472.710 7.268 50 50 JKGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 939039 KOCZHOSPZNNNMU-HSZRJFAPSA-N 470.960 5.644 50 50 JKGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 4283281 IXDZINOCCGQRPX-RQQFFKHGSA-N 484.983 6.504 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)C(Cl)Cl)CC[C@]4(C)[C@@H]3CC[C@@]12C 256694097 IAZKUQHFBGEWGA-ZSUDGXAJSA-N 497.591 8.743 50 50 JKGA N#C/C(=C\c1ccc(OCc2cccc(Br)c2)cc1)S(=O)(=O)c1ccccc1 1120171 NQCGZMZECMOVGQ-HYARGMPZSA-N 454.345 5.366 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2OC)cc1 4260671 SUQZUPFREFFRSI-OGLMXYFKSA-N 480.948 5.511 50 50 JKGA N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1nn(-c2ccccc2)c(N)c1C#N 8443191 FFZNXQBESJLVLS-XSFVSMFZSA-N 474.955 6.047 50 50 JKGA COc1ccc2cc(/C=C(\C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)c(Cl)nc2c1 22780785 ZSSNPRGMEKYRKS-OEAKJJBVSA-N 479.992 7.751 50 50 JKGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(COc2ccccc2Br)o1 648654 GAYNAFDEYLLMTJ-HXUWFJFHSA-N 469.335 5.072 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 2372987 RJIYSRMMLOEVAY-CVKSISIWSA-N 461.978 5.139 50 50 JKGA C=CCOc1ccc(C(=O)N/N=C/c2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 2531940 HLLQZWUELHLFRU-NDZAJKAJSA-N 464.521 5.696 50 50 JKGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)[nH]n1 5297352 UVAIFNXPXPVGQT-RDRPBHBLSA-N 462.509 5.795 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)c1cc(O)ccc1O 13321555 MFAKXHWJWULDMS-MZJWZYIUSA-N 476.330 5.230 50 50 JKGA O=C(N/N=C/c1ccccc1O)c1cc(-c2ccccc2OCc2cccc3ccccc23)n[nH]1 16995654 DQKIUKJFMFCCAL-STBIYBPSSA-N 462.509 5.278 50 50 JKGA COc1ccc(O/C=C/[C@@]23CC[C@@H](C[C@@]2(O)C2=C[C@H](O[Si](C)(C)C(C)(C)C)CCC2)C3(C)C)cc1 169832668 FRBNTCDQRXOTGA-WLPBDIOYSA-N 498.780 7.646 50 50 JKGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 253369359 BMNIGCHLCRTFRF-NUXINSKISA-N 486.366 5.213 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]4[C@@]34C=C[C@]2(C1)OO4 257347444 IDGDXRNODLQSAB-NLYPPWNMSA-N 468.678 6.965 50 50 JKGA O=C(NNC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(c1ccccc1)c1ccccc1 827647429 HLQFPVUDGSEJMY-UHFFFAOYSA-N 489.402 6.105 50 50 JKGA COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OC(=O)/C=C/c1ccccc1 2521167 CKPWYIKKNFDMMO-FZHYKPNOSA-N 464.521 5.160 50 50 JKGA CCOc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)ccc1OCc1ccc(Cl)cc1 2530427 GMSQUVWAASJXPF-OKCVXOCRSA-N 495.019 6.279 50 50 JKGA O=C(N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 2530452 ROPDFJLLTHHYJF-JFLMPSFJSA-N 473.872 5.385 50 50 JKGA N#C/C(=C\c1ccc(Cl)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 16400160 MPYSAUBDFWGQKH-VGOFMYFVSA-N 469.747 6.397 50 50 JKGA CCCc1cc(C(=O)N/N=C/c2ccc(OC)c(OCc3cccc(C(F)(F)F)c3)c2)cs1 20568898 JPAPKLPKJVLPNZ-XODNFHPESA-N 476.520 6.071 50 50 JKGA CC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2[C@@H]3C[C@H]4[C@@H](CCO[C@@H]4O[Si](C)(C)C(C)(C)C)[C@@H]3C=C[C@@H]2C1 169834865 CQOKEPQSENXION-NQDMEJRQSA-N 478.866 7.610 50 50 JKGA CCOC(=O)[C@H]1CC=C(O[Si](C)(C)C(C)(C)C)[C@@H](c2ccc(F)cc2)[C@@H]1C(=O)OCC 197961883 QVDQBZSBIDKRJR-CEWLAPEOSA-N 450.623 5.577 50 50 JKGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1cccc(C(F)(F)F)c1 649433 OZTSHELWPXHIJW-QHCPKHFHSA-N 498.501 5.744 50 50 JKGA Cc1ccc(C(=O)CSC2=C(C#N)[C@H](c3cccc([N+](=O)[O-])c3)C3=C(CC(C)(C)CC3=O)N2)cc1 1112655 SAQIAFYYKMNEED-DEOSSOPVSA-N 487.581 5.585 50 50 JKGA O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2530357 CSXCMFYCNDMHOB-RPPGKUMJSA-N 477.731 5.395 50 50 JKGA COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(C(=O)O)cc4)c(Cl)c3)[nH]c2c1 16393355 GSAJEAQKHIFQSZ-IUXPMGMMSA-N 494.334 6.220 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 20495130 DMTNWCQUCQDOAC-QFIPXVFZSA-N 489.362 6.181 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1F)C(N)=C(C#N)[C@H]2c1ccc(F)cc1 707319 GBWMJYVRGSDXTM-OAQYLSRUSA-N 484.344 5.668 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)c1ccc(OCc2ccccc2)cc1 2519894 KJMTWLWUDMOJCN-UXHLAJHPSA-N 468.484 5.388 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)c1ccc(Cl)cc1 2531226 JFFBDICIZWAEFY-UXHLAJHPSA-N 498.922 5.542 50 50 JKGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccc(CC)cc2)cc1 4230036 YOQLBPMRRFMRCD-NDZAJKAJSA-N 482.584 5.420 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)[nH]n1)c1ccc(-c2ccccc2)cc1 9011888 RMVFNGPQJDFJHL-ZCTHSVRISA-N 456.549 6.150 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C3CCCCC3)cc2OC)cc1 25761669 CQVRZGNIKLKTAH-OVVQPSECSA-N 452.551 5.124 50 50 JKGA CCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 102287926 IJBCLEVTSSNCRX-QCKNELIISA-N 464.694 8.197 50 50 JKGA CC(C)[Si](OC[C@H]1OC=C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O)(C(C)C)C(C)C 169744761 YDOYFAHLHUEGEN-SMIHKQSGSA-N 458.832 7.013 50 50 JKGA N#C/C(=C\Nc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2906323 WHWCHEUHWGJNIQ-FMIVXFBMSA-N 450.829 6.367 50 50 JKGA c1ccc(-c2nc3ccccn3c2SSc2c(-c3ccccc3)nc3ccccn23)cc1 8361814 FGUOSEBBFNNWQO-UHFFFAOYSA-N 450.592 7.115 50 50 JKGA biogenic CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)c(Cl)c1)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])s1 12402294 HCFTWENDGCZSHH-IBGZPJMESA-N 489.384 5.904 50 50 JKGA Oc1ccccc1/C=N/c1ccc(SSc2ccc(/N=C/c3ccccc3O)cc2)cc1 100892179 WORJHOARZNZREI-XUIWWLCJSA-N 456.592 7.398 50 50 JKGA CCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1C 102276473 GIJBHZLXICXYOK-YZSQISJMSA-N 473.411 6.177 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl 3095164 AZHYHBNATKHBDR-MZJWZYIUSA-N 478.957 5.855 50 50 JKGA CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)s1 3663888 YEECNBLWAJOOBO-OAQYLSRUSA-N 471.548 6.369 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)c2cccs2)N1 8920591 XFGJYSVIEONJJP-QFIPXVFZSA-N 461.568 5.292 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1ccccc1Cl 13208772 DPNNYRFIDAFECH-LGJNPRDNSA-N 469.397 5.634 50 50 JKGA COc1ccc(-c2nn(Cc3ccccc3F)cc2/C=C(C#N)/C(O)=N/c2nccs2)cc1OC 20259275 SUAJNASNIRSGQA-WOJGMQOQSA-N 489.532 5.406 50 50 JKGA N#C/C(=C\c1ccccc1OCc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1 20572563 GMNDSGDEZICGAQ-FYJGNVAPSA-N 477.891 6.276 50 50 JKGA Cc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)N/N=C/c3ccc4c(c3)OCO4)c2c1 2738196 QUDJSENQBXDHHA-WKULSOCRSA-N 451.526 5.826 50 50 JKGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(COc3cccc(Br)c3)o2)[C@H]2CCCC=C12 2769767 SLTAHEKJUBASFZ-SIKLNZKXSA-N 475.346 5.215 50 50 JKGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2C)cc1OC 25783499 LMGWEAJHWMBKML-STBIYBPSSA-N 468.509 5.149 50 50 JKGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2Cl)c1 2553317 YXKZQNOKQIWFKN-DHRITJCHSA-N 471.738 5.394 50 50 JKGA CC(C)(C)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 13239628 OCMXEBPWBDKLKG-MUFRIFMGSA-N 491.060 6.278 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 100647836 WSLHJPNFUKEEEH-SGWCAAJKSA-N 452.595 6.285 50 50 JKGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(COc2cccc(Br)c2)o1 648710 VLJJXSBTTCKEEW-HXUWFJFHSA-N 469.335 5.072 50 50 JKGA Cc1ccc([N+](=O)[O-])cc1N1C2=C(C(=O)CCC2)[C@H](c2cccnc2)C(C#N)=C1n1cccc1 1433025 BXXISQVWMWDCIA-XMMPIXPASA-N 451.486 5.103 50 50 JKGA O=C(N/N=C/c1ccc(Br)cc1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 1789814 MDGPPWPQVCMINQ-WGOQTCKBSA-N 457.331 5.337 50 50 JKGA O=C(N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1)c1cc2ccccc2o1 4210165 IBHXVJVFXOPELK-MZJWZYIUSA-N 474.925 6.284 50 50 JKGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4210834 SNEKELGFDPTNLS-LXDNYNHRSA-N 469.324 5.141 50 50 JKGA COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(F)cc1 8666107 VQXIIUGYEHQVIL-LICLKQGHSA-N 478.321 6.116 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccccc1 16677380 QEWWYXJJXHHLJS-QFIPXVFZSA-N 482.403 5.106 50 50 JKGA CCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1 102281187 BLMWUJCSAHPWMM-JJKYIXSRSA-N 450.667 7.725 50 50 JKGA C=CCOc1ccc([C@H]2C(C#N)=C(N)N(c3cccc(Cl)c3C)C3=C2C(=O)CC(C)(C)C3)cc1 2080813 LNYRDQFRKHYJCX-VWLOTQADSA-N 474.004 6.154 50 50 JKGA C=CCc1ccccc1OCC(=O)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12 2542453 PFQPGHLKKBJBFE-FDAWAROLSA-N 498.966 5.970 50 50 JKGA Cc1cccc2cc(/C=C(\C#N)c3nc(-c4ccc(Br)cc4)cs3)c(Cl)nc12 22781399 FRNFMHKEIXZGMC-LICLKQGHSA-N 466.791 7.147 50 50 JKGA N#C/C(C(N)=O)=C1/SC=C(c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1c1ccccc1 33635927 UEDYBNITOUIERJ-JWGURIENSA-N 464.890 5.280 50 50 JKGA CCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(C)cc2)cc1 102317013 IKGLQFGQFFSAOB-JJKYIXSRSA-N 464.650 7.365 50 50 JKGA C[C@@H](/C=C/I)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169833300 UGTQLDUNJPNVQI-ZPICJPFVSA-N 450.436 5.148 50 50 JKGA O=C(N/N=C/[C@@H]1C[C@H]2C[C@H]1[C@@]1(F)C(F)(F)C(F)(F)[C@]21F)c1sc2ccccc2c1Cl 252320599 CQBOJQYDZLICJW-LLYWFNNZSA-N 466.834 5.627 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1c(F)cccc1F)C(n1cccc1)=C(C#N)[C@H]2c1ccc2c(c1)OCO2 1432030 CRIDJCWMIKMWRV-RUZDIDTESA-N 499.517 6.134 50 50 JKGA COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(=O)/C=C/c1ccccc1 2521155 VAZXOAQKSHWHQJ-PPCGIRLPSA-N 486.568 5.275 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc(F)cc2)c1 2531411 DIZYOLLOJKKHMD-MUFRIFMGSA-N 456.473 5.036 50 50 JKGA O=C(Nc1ccc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1)Nc1cccc(Cl)c1 3086056 CHJOQTJJSSGVGY-BRJLIKDPSA-N 461.736 6.055 50 50 JKGA CCc1ccc(OCC(=O)N/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1 4229867 NESUKEDBJIJNIZ-RWPZCVJISA-N 492.984 5.865 50 50 JKGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccc(C(F)(F)F)cc3)nc3ccccc32)cc1 5350330 BFLZBKXCHNCHKB-IPPBACCNSA-N 482.531 5.654 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc3ccccc3c2)=C(C#N)[C@@H]1c1ccccc1Cl 19759627 HSQCIXOYBGPPKW-SANMLTNESA-N 472.997 6.394 50 50 JKGA COc1ccc2c(Cl)c(C(=O)Oc3ccc(/C=N/NC(=O)c4cccs4)cc3)sc2c1 19800613 FTFRMBAKADUTPT-WYMPLXKRSA-N 470.959 5.608 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccccc1OCc1ccc(Br)cc1 20530245 ZKEZGTLNICWCRF-JOCHJYFZSA-N 499.368 5.636 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1c(OC(=O)c2ccc(OC)cc2)ccc2ccccc12 102279836 LYKBZQASYNQNNP-MWAVMZGNSA-N 474.601 6.658 50 50 JKGA CCn1c(SCC(=O)N/N=C/c2cc(C(C)(C)C)c(C)c(C(C)(C)C)c2)nc2ccccc21 5297288 WLCRTAONKFKYFU-LQKURTRISA-N 464.679 6.202 50 50 JKGA ClCc1c(Br)c(Br)c(CCl)c(Br)c1Br 100166590 ILZQVEFCITYZFF-UHFFFAOYSA-N 490.642 6.214 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(-c2ccccc2)cc1 25573232 WVCFPZVPYKTZKL-STKMKYKTSA-N 455.561 7.031 50 50 JKGA CCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1 102281037 DRKNDGKGQUFKFY-WGPBWIAQSA-N 478.721 8.505 50 50 JKGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3sccc3C)n2-c2ccc(Cl)cc2)cc1 1835759 WBCZKUMOIHLIOF-DHRITJCHSA-N 498.033 5.209 50 50 JKGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(CSc2ccc(Br)cc2)c(C)cc1C 2727716 FFNKVUAVJGXUGD-QFIPXVFZSA-N 499.430 5.613 50 50 JKGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 4261129 NFHLTCKPYHZMEX-VUTHCHCSSA-N 450.494 5.388 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(-c3ccccc3)cc2)=C(C#N)[C@@H]1c1ccc(F)cc1 16676279 GKWYBQUDIRMJEW-NDEPHWFRSA-N 482.580 6.394 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)Cc2ccccc2)cc1 2553649 TUNHRMNGYONVCA-VUTHCHCSSA-N 452.510 5.151 50 50 JKGA COc1cc(Cl)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc3ccccc3c2)c1OC 2850490 KDYWCIOPWHABBR-HSZRJFAPSA-N 472.932 5.223 50 50 JKGA COc1cc(/C=N/NC(=O)c2cccs2)ccc1OC(=O)c1sc2ccccc2c1Cl 4210657 KPAXVNJJUFKMAI-WYMPLXKRSA-N 470.959 5.608 50 50 JKGA CCCOc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1 9109928 IYVSOQJUBUTAPZ-YDZHTSKRSA-N 472.661 5.170 50 50 JKGA CCCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccc(C)cc4)cc3)n[nH]2)cc1 9374705 UTAHXMPBISBQKD-NDZAJKAJSA-N 482.584 5.907 50 50 JKGA N#C/C(=C\c1ccc(OCC(=O)c2ccccc2)cc1)c1nc(-c2cccc3ccccc23)cs1 16320095 WEYYWXWJDBVHJH-JJIBRWJFSA-N 472.569 7.289 50 50 JKGA C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4230034 QGUOFXLAKDLASI-SVMUSQEWSA-N 456.473 5.116 50 50 JKGA O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1cc2ccccc2o1 4259803 ITSXXNVQHWYBFB-VZBWSNPVSA-N 489.325 5.578 50 50 JKGA N#CC1=C(n2cccc2)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@H]1c1cccc(F)c1 12360557 FVSDXSVWGZHBGP-DEOSSOPVSA-N 477.461 6.649 50 50 JKGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3cccc(OC(C)C)c3)nc3ccccc23)cc1 2090428 IHEHQHZYUOTXDT-STBIYBPSSA-N 467.525 5.240 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccco3)nnc2-c2ccc(Cl)cc2)cc1 2199326 BHMKBRLGVXJTRO-FHSXHZEZSA-N 477.977 5.397 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1cccc(C)c1 2921785 WLRSIOIHTXHMFD-HSZRJFAPSA-N 471.409 6.203 50 50 JKGA COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccccc1 3142064 CAQGPKSGDBITJF-NDZAJKAJSA-N 480.520 5.111 50 50 JKGA CCOc1ccccc1/C=C(\C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 22780578 JLNLVRQDFUBYAC-CXUHLZMHSA-N 479.355 6.142 50 50 JKGA C1=C/C(=C2\C=CC=C2P(c2ccccc2)c2ccccc2)C(P(c2ccccc2)c2ccccc2)=C1 334160147 NFWSAOSQMQZHKR-MVJHLKBCSA-N 496.530 7.456 50 50 JKGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCC)cc3)c(OCC)c2)cc1 4287260 IYZMVQLZWCABEL-VUTHCHCSSA-N 488.540 5.032 50 50 JKGA CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccco2)C(C#N)=C(SCc2ccccc2)N1 9434155 IRYNRBMHIQPVDZ-HSZRJFAPSA-N 461.974 6.201 50 50 JKGA Cc1cccc(NC(=O)Cn2cc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)c3ccccc32)c1 15836657 ZDEUDVWMAAXXJU-MOSHPQCFSA-N 482.971 6.096 50 50 JKGA CCOC(=O)c1c(NC(=S)NNC(=O)c2csc3c2CCCC3)sc2c1CCCCCC2 20168508 BTBFTAAETNELLE-UHFFFAOYSA-N 491.704 5.156 50 50 JKGA Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408933985 CBUMPGJWHUHPDI-RWPZCVJISA-N 459.933 5.292 50 50 JKGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2cccc(Cl)c2)cc1 4259743 FVAVQAZQJHKALE-STBIYBPSSA-N 488.975 5.511 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc4ccccc4c3)cc2)cc1 4347449 AVYXIMCYSKORRG-MXEPNMHZSA-N 482.536 5.375 50 50 JKGA C/C(=N\NC(=O)c1sccc1C)c1cccc(NC(=O)COc2ccc(Cl)cc2C)c1 20426821 WCZCBLXDBSFPOR-WGOQTCKBSA-N 455.967 5.190 50 50 JKGA CSc1[nH]c(-c2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95681903 QGAMTRKBAYDOAM-UHFFFAOYSA-N 451.555 5.418 50 50 JKGA CC[Si](CC)(CC)OC(C)(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2C(=O)CCC[C@@]21C)OC(C)=O 214485659 FGQBIQWGHYVIIQ-UEIUXULISA-N 452.752 6.920 50 50 JKGA O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccccc1F)N2 229865848 OCDBIIVGALZXKN-IRFILORWSA-N 498.963 6.471 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 2188849 VLXQPYRAOFZMQA-QHCPKHFHSA-N 499.596 5.348 50 50 JKGA CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2ccc(C)c(Cl)c2)C2=C1C(=O)CCC2 9982073 GJIIDLDVHPFCBQ-FQEVSTJZSA-N 456.036 6.045 50 50 JKGA COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 20367365 PVHYBVQDVMIADZ-XMMPIXPASA-N 464.525 5.191 50 50 JKGA Cc1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(S)s2)cc1 100495125 ZZFZQXOXEQYQSG-UHFFFAOYSA-O 468.607 6.027 50 50 JKGA N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)c(Cl)c3)ccc2[C@H]1c1ccc(F)c(F)c1 1775975004 AWTBILDQJGOLLI-OAQYLSRUSA-N 473.262 5.709 50 50 JKGA CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1OC 1775975802 GESFHIGWZZWPRY-SANMLTNESA-N 470.525 5.230 50 50 JKGA O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1cccc(Cl)c1 2520231 JTUKHWYXLCGMHL-DWTYDGOPSA-N 483.749 5.485 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)ccc1OC(=O)c1ccccc1 2530526 FFVXDNOTEXZHOX-AJBULDERSA-N 494.547 5.647 50 50 JKGA COc1ccc(N(C(=O)CCl)[C@@H](C(=O)NCCc2ccccc2)c2cccs2)cc1Cl 3034976 UNVKYJSNMVDZJE-JOCHJYFZSA-N 477.413 5.082 50 50 JKGA in-vitro O=C(c1ccc(CCc2ccccc2)cc1)[C@H](Br)[C@H](Br)c1ccccc1 3122164 YJRLKDSWLXTWTP-FGZHOGPDSA-N 472.220 6.554 50 50 JKGA CCOc1ccccc1C(=O)N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 4209344 QQRRPKGHPXZWRO-JFLMPSFJSA-N 478.957 5.937 50 50 JKGA CC1(C)O[C@@H](CP(c2ccccc2)c2ccccc2)[C@H](CP(c2ccccc2)c2ccccc2)O1 6844878 VCHDBLPQYJAQSQ-KYJUHHDHSA-N 498.543 5.772 50 50 JKGA biogenic,in-vitro COc1ccc(-c2csc(/C(C#N)=C/c3cccc(OCc4ccccc4)c3)n2)cc1OC 8921125 MDWKJXVXCBXPJC-LPYMAVHISA-N 454.551 6.470 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccc(Br)cc1 13231343 XWOGMVRLSSZGPI-AFUMVMLFSA-N 479.403 5.090 50 50 JKGA CCc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C(C(C)=O)=C(C)N2)cc1 1198976 SPUCRFNQBLANHJ-XMMPIXPASA-N 450.991 5.803 50 50 JKGA O=C(Nc1ccc(Br)cc1)[C@H](Br)[C@H](Br)c1ccccc1 1737983 XFDWMSWRUOGPKM-ZIAGYGMSSA-N 461.979 5.287 50 50 JKGA COc1cc([C@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1OC(C)=O 19760767 BJJNTJLKTDPYNM-BVZFJXPGSA-N 462.933 5.159 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3c(O)ccc4ccccc34)nnc2-c2ccccc2)cc1 2348931 ZBWOKUXRZSXUMO-STBIYBPSSA-N 493.592 5.344 50 50 JKGA O=C(N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12)c1ccc2c(c1)OCO2 2532219 UNSMGTMNHCCZLS-CCVNUDIWSA-N 472.884 5.205 50 50 JKGA CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1 2542579 QRTHBCBSGMVQMG-JVWAILMASA-N 466.921 5.121 50 50 JKGA C=CCOc1ccc(C(=O)N/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 4230050 WIGLRQYZVIIRSP-UXHLAJHPSA-N 454.501 5.887 50 50 JKGA N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)[C@@H]1c1cccs1 12360554 KNGVSUDQTBEJQG-NRFANRHFSA-N 477.387 5.710 50 50 JKGA Cc1ccc2nc(/C(C#N)=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)[nH]c2c1 13124670 XLACTZXXNUXZGQ-WJDWOHSUSA-N 464.403 6.655 50 50 JKGA CCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1 13233112 LMRDYRJMYJZVQW-LQKURTRISA-N 493.032 5.769 50 50 JKGA COc1c(C)cc(P([C]2[CH][CH][CH][C]2[C@@H](c2ccccc2)N(C)C)c2cc(C)c(OC)c(C)c2)cc1C 100032612 XUWOZTNQYWCXED-SSEXGKCCSA-N 498.627 6.406 50 50 JKGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccc(Cl)c2)cc1 2530375 YAJFBNLYEILXGH-LQKURTRISA-N 458.901 5.485 50 50 JKGA COc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)ccc1OCc1ccc(Cl)cc1 2584784 LFKKHYPRACGRSX-MUFRIFMGSA-N 474.944 5.610 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2Cl)cc1 43761115 HNKJVUUQHFSFOR-STBIYBPSSA-N 472.928 5.875 50 50 JKGA FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCI 169795245 AVHZXVHTZAWZSP-UHFFFAOYSA-N 458.146 6.620 50 50 JKGA COC(=O)/C(C#N)=C/c1cc(OC)c(OCc2ccc(Cl)cc2Cl)cc1Br 220956355 QGEMNZIBFXJGRH-WLRTZDKTSA-N 471.134 5.423 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)C(Cl)Cl)CC[C@]4(C)[C@@H]3CC[C@@]12C 256694092 IAZKUQHFBGEWGA-PJUABJTISA-N 497.591 8.743 50 50 JKGA Cc1ccc(F)c(NC(=S)NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c1 743554925 RENZVFXCUCDSBD-UHFFFAOYSA-N 482.631 5.668 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2ccccc2F)ccc1OC(=O)c1ccc(Cl)cc1Cl 2529582 LHHCYYAVMRWQDP-UVHMKAGCSA-N 475.303 5.514 50 50 JKGA O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1OCc1ccc(Cl)cc1 2533915 CYQADLZMMDBLRQ-UXHLAJHPSA-N 470.956 6.262 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccccc2F)ccc1OC(=O)c1ccc(Cl)cc1Cl 2585066 PWUBACHPIRBUDC-RPPGKUMJSA-N 461.276 5.124 50 50 JKGA COc1cc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OCc1ccccc1 19770299 KNNLQPINRLAXSB-QABMSTFYSA-N 476.576 6.159 50 50 JKGA COc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)c(OC)c1 20247430 YKJHVGVGSWVLSN-KGENOOAVSA-N 498.970 5.815 50 50 JKGA CCSc1oc(-c2ccc(C)cc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97976872 ACZLDBYLFDSLCW-UHFFFAOYSA-N 480.593 6.381 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)c1ccc(OCc2ccccc2)cc1 2519925 HMMCIXHYTOLGSU-WPWMEQJKSA-N 456.523 5.310 50 50 JKGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1 2552828 JLANCYNQHWMQJB-MZJWZYIUSA-N 491.956 5.171 50 50 JKGA O=C(Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1Cl)c1ccccc1 2553178 BQQYUNFOCUDXCK-ZMOGYAJESA-N 457.711 5.086 50 50 JKGA O=C(N/N=C/c1cc2ccccc2nc1Cl)c1ccn(Cc2ccc(Cl)cc2Cl)n1 4210107 OGARQSTWWINUGI-OPEKNORGSA-N 458.736 5.204 50 50 JKGA CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409270332 PJRGRZWSIBFGSK-MBTHVWNTSA-N 479.964 5.137 50 50 JKGA Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 2329812 WMZYNDSXVSTUAR-RDRPBHBLSA-N 483.641 5.783 50 50 JKGA O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1OCc1ccc(Cl)cc1 2584901 WERBUSTUZXTZBQ-FDAWAROLSA-N 464.952 6.989 50 50 JKGA O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 2584982 OLMUDBXMHXIHRH-RPPGKUMJSA-N 477.731 5.395 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(-c3ccccc3)cc2)=C(C#N)[C@H]1c1cccnc1 8667121 FFWJRTODHUJXEL-HHHXNRCGSA-N 465.578 5.650 50 50 JKGA N#C/C(=C\C=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 1795839 IKVUARUJULETEO-BFRDFHRYSA-N 472.438 5.353 50 50 JKGA O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C/c1ccc(OCc2ccccc2)cc1 2365653 YOHVXYMHZLBTPX-TWKHWXDSSA-N 451.570 5.640 50 50 JKGA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 4259611 ROCJOXBNYFAAJL-ZGUVFNMESA-N 463.342 5.192 50 50 JKGA C=CCc1ccccc1OCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC)cc1 4261291 ILNHEVOFZNABDJ-AJBULDERSA-N 494.595 5.586 50 50 JKGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 4335786 XRNPJONFTBRLOM-RJGITAPLSA-N 450.538 5.850 50 50 JKGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@H](c2ccc(Br)s2)C2=C1CCCC2=O 25782063 NVVADODIWRXEOG-LJQANCHMSA-N 474.811 5.777 50 50 JKGA CCCCCCCCCCCCCCCC(=O)N/N=C/c1ccccc1OCc1ccccc1 102316757 RRHAVERGUCPMAV-QCKNELIISA-N 464.694 8.197 50 50 JKGA COc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccc(OC)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1 9374727 JBUHRGRLTMWKFS-VWLOTQADSA-N 488.609 5.385 50 50 JKGA CC(C)(C)c1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3O)n2-c2ccccc2)cc1 2356089 VHMFGKRLNKAOQC-OGLMXYFKSA-N 485.613 5.180 50 50 JKGA O=C(COc1ccccc1Cl)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12 2531266 BBLYFOWEWNSCNZ-WKULSOCRSA-N 493.346 5.895 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)c1 2531459 BYCCTGWAUVTCAP-OKCVXOCRSA-N 499.954 5.418 50 50 JKGA CC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4209324 HCDIDHONAISKCX-XVSGHMDVSA-N 497.378 5.920 50 50 JKGA CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1 4210637 CRBSIPKVAINSIH-RWPZCVJISA-N 492.984 5.865 50 50 JKGA CCc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)cc2OC)cc1 8682788 QHTHXTYKIVJNTP-ZHZULCJRSA-N 452.514 5.216 50 50 JKGA O=C(N/N=C/c1c(F)cccc1Cl)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)[nH]n1 9375294 KJOUBSNUWRCABU-XODNFHPESA-N 483.330 5.866 50 50 JKGA N#C/C(=C\c1ccccc1I)c1nc(-c2ccc(Cl)cc2Cl)cs1 16671782 PMCDKCGIMBAXQN-KPKJPENVSA-N 483.161 6.786 50 50 JKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cccc(Cl)c1Cl 102287579 VEPZWEDNJQBNCR-SGWCAAJKSA-N 455.514 8.705 50 50 JKGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2565240 UJPXPCWIIYEFNB-RPPGKUMJSA-N 477.731 5.395 50 50 JKGA O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(OCc2ccc(Cl)cc2)cc1 2568888 JJCKSZXYAIGXPB-WYMPLXKRSA-N 459.727 5.151 50 50 JKGA C/C(=N\NC(=O)c1sc2cc(F)ccc2c1Cl)c1cccc(NC(=O)C2CCCC2)c1 8455911 GETAKCCPAQHOOY-UVHMKAGCSA-N 457.958 5.977 50 50 JKGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4Cl)cc3)n[nH]2)c1 13644825 ZEAKGFNIYZSEIS-JFLMPSFJSA-N 460.921 5.082 50 50 JKGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 102266529 OESPSFXABUKKSD-AJBULDERSA-N 487.648 5.555 50 50 JKGA N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1)OCO3 220969423 DPXFXTCJPSTERT-QHCPKHFHSA-N 467.308 5.519 50 50 JKGA N#CC(=CNc1ccc(Br)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 2049286318 HBZDEYMXAGEPEY-UHFFFAOYSA-N 450.317 5.656 50 50 JKGA Cc1ccc(Cl)cc1N1C(N)=C(C#N)[C@H](c2ccc(Br)s2)C2=C1CCCC2=O 1112011 YUBAXIPCSNQBQT-LJQANCHMSA-N 474.811 5.777 50 50 JKGA COc1ccc(/C=N/NC(=O)Cc2c(Cl)cccc2Cl)cc1COc1cccc2cccnc12 2110105 TWOUDTAUAFIVHE-FJEPWZHXSA-N 494.378 5.822 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)cc2OC)cc1 2553019 BFXZUFQWDWOFEE-AJBULDERSA-N 496.563 5.549 50 50 JKGA Cc1c([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)sc2ccccc12 1446009 HXKXITZSPJSTAR-HOYKHHGWSA-N 454.599 5.180 50 50 JKGA C=CCOc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 2531081 CBAITCCPDRJKDI-NDZAJKAJSA-N 464.521 5.696 50 50 JKGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2c[nH]c3ccccc23)c([N+](=O)[O-])c1 3186685 WXZSXEKCKWXGLI-MZJWZYIUSA-N 450.539 5.319 50 50 JKGA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)OCc2ccccc2)N1 8914580 DTAHPVZBWLUDTD-AREMUKBSSA-N 499.592 5.399 50 50 JKGA CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)sc2c1CCCC2 15685481 UMGHOLNMSDNRBD-JCMHNJIXSA-N 487.625 5.435 50 50 JKGA CCCOc1ccc(C(=O)N/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 2520051 BUQXWJFYRNYFGY-UXHLAJHPSA-N 456.517 6.111 50 50 JKGA COc1cc(/C=N/NC(=O)COc2cc(C(C)C)ccc2C)ccc1OC(=O)/C=C/c1ccccc1 2521161 IKIBDQNDKNUZRP-PPCGIRLPSA-N 486.568 5.275 50 50 JKGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 4330059 TZYKAOMGJMBGKU-ABMUTNKWSA-N 484.983 6.504 50 50 JKGA Cc1cccc(OCC(=O)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc23)c1 4330665 MBVJIXIPJFWYGX-MUFRIFMGSA-N 472.928 5.550 50 50 JKGA CC(C)Oc1ccc(-c2n[nH]c3c2[C@H](c2cccc(OCc4ccccc4F)c2)C(C#N)=C(N)O3)cc1 8566902 CWNWZVCBIMXDSO-RUZDIDTESA-N 496.542 5.800 50 50 JKGA CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1 9311012 RIXZTWFHJHEVDD-WOJGMQOQSA-N 454.357 6.345 50 50 JKGA CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2ccc(C)c(Cl)c2)C2=C1C(=O)CCC2 9982086 MLBBFJVBYNYMDL-QFIPXVFZSA-N 484.090 6.689 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1Cl)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])s1 12402317 VEVJBXZKCUJJHA-IBGZPJMESA-N 499.936 5.159 50 50 JKGA C=CCc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 16383925 KNEAROJCYDOXPF-XKZIYDEJSA-N 480.524 6.160 50 50 JKGA CC1(C)c2ccc(o2)C(C)(C)c2ccc(o2)C(C)(CCl)c2ccc(o2)C(C)(C)c2ccc1o2 25783876 FRXKYHSHOLXODD-UHFFFAOYSA-N 467.005 7.895 50 50 JKGA Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2 1297195 YVLMAKRSNPJUCY-PDGQHHTCSA-N 460.990 6.105 50 50 JKGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 2391554 NTTOVKRTPCPWPV-RPPGKUMJSA-N 477.731 5.395 50 50 JKGA CCOc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OCc1ccc(Cl)cc1 2584785 OWSAVUMFWMLMMT-JFLMPSFJSA-N 452.938 5.155 50 50 JKGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(COc3cccc(Br)c3)o2)[C@H]2CCCC=C12 2769768 SLTAHEKJUBASFZ-UGKGYDQZSA-N 475.346 5.215 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1)c1ccc(Cl)c(Cl)c1 9763144 IOARWIWNBYQOOX-STBIYBPSSA-N 493.394 6.425 50 50 JKGA Cc1ccc(N2C3=C(C(=O)CCC3)[C@H](c3cccnc3)C(C#N)=C2n2cccc2)c([N+](=O)[O-])c1 12447356 YYGFYCDPGDISEB-XMMPIXPASA-N 451.486 5.103 50 50 JKGA CC/C(=N/NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc(OC(C)C)cc1 20572630 WGVLHAKMLJMYCH-GDWJVWIDSA-N 471.988 6.887 50 50 JKGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(OCc2ccccc2)c1 102291098 ARHLZGVIOKKJRU-MWAVMZGNSA-N 465.638 5.753 50 50 JKGA C=CCOc1ccc([C@H]2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CC(C)(C)C3)cc1 2387636 ZHLPORUFBYEESD-DEOSSOPVSA-N 493.529 6.211 50 50 JKGA Cc1occc1C(=O)N/N=C/c1cn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1 654533 YJFXMXIAODAFKL-RPPGKUMJSA-N 453.329 5.571 50 50 JKGA COc1ccc(OCC(=O)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc23)cc1 2542507 RFVQFGRDRAPLMU-MUFRIFMGSA-N 488.927 5.250 50 50 JKGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1 4210359 KJGMVMHCJPQHFU-LQKURTRISA-N 490.968 6.103 50 50 JKGA CCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc1OC 5350260 CFQYDMKSYVECER-LQKURTRISA-N 488.613 5.043 50 50 JKGA CC/C(=N\NC(=O)c1cc(-c2cccc(OC)c2)nc2ccc(C)cc12)c1cc(O)ccc1O 13321561 IAAKAMMWDNMSTL-BYNJWEBRSA-N 455.514 5.174 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1cccc(NC(=O)c2csc(C)c2)c1 20352930 LWTFOYBWKAXUEX-CVKSISIWSA-N 480.640 5.551 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc(OC)c3OC)[nH]n2)cc1 102300481 OGUZAWUWCAMJNC-TURZUDJPSA-N 478.593 5.597 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCCC3)C(N)=C(C#N)[C@H]2c1cccs1 2188814 QEORQWYJYYHCPR-QFIPXVFZSA-N 474.655 5.891 50 50 JKGA COC(=O)c1ccc(C(Br)Br)c(C(Br)Br)c1 2519682 CPWIVQCXTUOBHL-UHFFFAOYSA-N 479.788 5.050 50 50 JKGA Cc1cc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CC(C)(C)C3)c(C)s1 2520966 IWTQJQIAIVJLOY-OAQYLSRUSA-N 482.447 6.068 50 50 JKGA C=CCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1 4347369 PNIMATLWTBSAQP-MUFRIFMGSA-N 494.975 5.194 50 50 JKGA CCOc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 16383921 JXPRTVRFYMLEQL-GRSHGNNSSA-N 488.931 6.475 50 50 JKGA Cc1cn([C@@H]2O[C@@]3(CCC[C@H]3O[Si](C)(C)C(C)(C)C)C[C@H]2Sc2ccccc2)c(=O)[nH]c1=O 169836799 IVTCXQRVSXULCT-SMISUXHESA-N 488.726 5.238 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](Br)C[C@]4(C)[C@H]3CC[C@@]12C 257347303 DHZKAQAKUFROMZ-RFZBSLDMSA-N 465.560 8.050 50 50 JKGA C/C(=N\NC(=O)c1ccc(C)s1)c1cccc(NC(=O)COc2ccc(Cl)cc2C)c1 676269 ZAAAZACELDYEIA-WGOQTCKBSA-N 455.967 5.190 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2cccs2)nc2ccccc12)c1cccc(NC(=O)c2ccc(C)o2)c1 20407348 OTECOMVJGUPGKZ-FDAWAROLSA-N 494.576 6.271 50 50 JKGA O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 239439361 ZUSLMGRVOGXUNI-YQLZSBIMSA-N 478.342 5.142 50 50 JKGA CC(C)Oc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(OCc4ccccc4F)c2)C(C#N)=C(N)O3)cc1 622936 CWNWZVCBIMXDSO-VWLOTQADSA-N 496.542 5.800 50 50 JKGA CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1 2670154 LCUVDPZYKFXRLV-QGOAFFKASA-N 463.534 5.343 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1 4283321 VYVMSKKHSGHRBJ-HRJIBFCWSA-N 497.507 5.193 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(n1cccc1)=C(C#N)[C@H]2c1ccsc1 12402333 USRACXSIRWUQAV-HSZRJFAPSA-N 493.554 7.208 50 50 JKGA N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1)OCO3 220969368 DPXFXTCJPSTERT-HSZRJFAPSA-N 467.308 5.519 50 50 JKGA N#CC1=C(n2cccc2)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@@H]1c1ccsc1 1431978 MICTWXWCGSEBLU-JOCHJYFZSA-N 499.945 7.225 50 50 JKGA Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1 2349012 OOJLKKZCYQZXQL-JFLMPSFJSA-N 476.005 5.447 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1 2531462 UBVFPEBZGTVROE-JVWAILMASA-N 453.454 5.040 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(Cl)c3Cl)cc2)cc1 2542922 WRMZHCIDNIOHOM-MZJWZYIUSA-N 487.339 5.140 50 50 JKGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 4335817 SKZPBOLYDAEAKB-NKZWWHGNSA-N 473.356 5.499 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(Cl)cc1Cl 4347208 YKKPSIFQWFCSNO-MZJWZYIUSA-N 487.339 5.384 50 50 JKGA Cc1c(Cl)cccc1N1C2=C(C(=O)CCC2)[C@@]2(C(=O)N(C)c3ccccc32)C(C#N)=C1n1cccc1 12372454 AJHBPQNFUBQIGE-LJAQVGFWSA-N 494.982 5.584 50 50 JKGA COc1cccc(SC(Sc2cccc(OC)c2)=C(C#N)NC(=O)c2cccc3ccccc23)c1 334163210 WUNDEXXNEJENSK-UHFFFAOYSA-N 498.629 6.864 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3Cl)cc2OCC)cc1 2553137 JDYFHPDNRCYZHJ-OGLMXYFKSA-N 480.948 5.511 50 50 JKGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(Br)cc2)cc1 2869812 PSOIVVJBTSWPKV-CVKSISIWSA-N 475.346 5.074 50 50 JKGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OCc1ccccc1 4366242 UBHOJGPVAMFWBA-IKQNMSGQSA-N 480.564 5.859 50 50 JKGA COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccccc2F)cc1 20562593 ILWVFONJXZYRFB-QNGOZBTKSA-N 452.489 5.292 50 50 JKGA CN(C)c1oc(/C=C/c2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101123043 NOQGFFUQIQTYLO-WCWDXBQESA-N 475.552 5.530 50 50 JKGA COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OCc4cccc(C)c4)cc2)C(C#N)=C(N)O3)cc1 623013 PENRPXYNCLIDLE-XMMPIXPASA-N 464.525 5.191 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/C(Cl)=C/c3ccccc3)n2-c2ccccc2)cc1 2206047 UKZPOMTVTLEILD-BSZFNXBBSA-N 488.016 5.717 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3C)cc2OCC)cc1 2553385 KMDPMTSKUSPVPV-MTDXEUNCSA-N 460.530 5.166 50 50 JKGA N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccc(F)cc1 2871158 QZBOELZJHGEMLX-ZDLGFXPLSA-N 453.267 6.140 50 50 JKGA ClCc1cccc(-c2cc(-c3cccc(CCl)c3)cc(-c3cccc(CCl)c3)c2)c1 3123616 JNTKPEBHZYSKNN-UHFFFAOYSA-N 451.824 8.904 50 50 JKGA BrCc1cccc(-c2cc(Br)cc(-c3cccc(CBr)c3)c2)c1 3123635 DJDJOJSFIVNSSX-UHFFFAOYSA-N 495.052 7.573 50 50 JKGA C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 4259173 BTSFFQDBEWNRSW-GDVZAJFZSA-N 492.550 6.629 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(N(CC)CC)cc3)[nH]n2)cc1 102302111 ZJRKKSZFGLXUKK-JBASAIQMSA-N 489.664 6.426 50 50 JKGA C=C(C)CSC1=C(C#N)[C@H](c2ccccc2Cl)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 226242274 CPOUODXMDAHBPD-BBTUJRGHSA-N 498.979 5.883 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)cc3Cl)nnc2-c2ccccc2)cc1 2276426 UPTUIMPPWLHUNI-MZJWZYIUSA-N 496.423 5.792 50 50 JKGA CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2ccc(Br)cc2)C2=C1C(=O)CCC2 2520952 QYIWJLJQXMMVLD-LJQANCHMSA-N 486.460 5.846 50 50 JKGA CCOc1ccccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1 2584700 FWYLXGRCXBSZHX-MZJWZYIUSA-N 487.339 5.384 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(-c3ccccc3)cc2)=C(C#N)[C@@H]1c1cccnc1 8667122 FFWJRTODHUJXEL-MHZLTWQESA-N 465.578 5.650 50 50 JKGA Clc1cc(Cl)c2c3c1[C@H](Cl)[C@H](Cl)c1c(Cl)cc(Cl)c(c1-3)[C@@H](Cl)[C@H]2Cl 100480821 HLOGUCPTNQWBOD-RUPPMWDTSA-N 481.848 9.114 50 50 JKGA CN1C(=O)Oc2ccc3ccccc3c2[C@H]1OO[C@@H]1c2c(ccc3ccccc23)OC(=O)N1C 100742389 MAGJZFKZNASVGV-DNQXCXABSA-N 456.454 5.527 50 50 JKGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccccc3OCc3ccccc3)c2)cc1 2542997 AMGWONNQQUWAHY-NDZAJKAJSA-N 480.520 5.257 50 50 JKGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 4360354 KRBSUBPJGLBTIA-QCLOQBNLSA-N 498.966 6.144 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1cccs1 5352316 KRCGWCLGCRFRIS-MFKUBSTISA-N 455.008 5.432 50 50 JKGA C[C@H]1C[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@@H]2C[C@@H]1C(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C 257357179 MNCVCNBVIQWHLW-NCXMXHOVSA-N 496.786 5.001 50 50 JKGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@H](c2cc(Br)cs2)C2=C1CCCC2=O 713564 OKDUDEQFLMUBGP-LJQANCHMSA-N 474.811 5.777 50 50 JKGA COc1ccc(-c2nnc(SCC(=O)N/N=C/C(C)=C/c3ccco3)n2-c2ccc(C)cc2)cc1 2252426 YSIWMEBNOITNFD-RGLHLAAVSA-N 487.585 5.142 50 50 JKGA O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 2570280 NHNZTFHBVKJBMB-OGLMXYFKSA-N 487.353 5.514 50 50 JKGA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 4302511 VVHFNJYBSRTLSR-ZKJHFGPLSA-N 491.758 5.784 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(-c3ccccc3)cc2)=C(C#N)[C@@H]1c1ccccc1Cl 8934492 ODWFYFZNIBSPKI-NDEPHWFRSA-N 499.035 6.908 50 50 JKGA O=C(NNC(=S)Nc1cccc(Cl)c1)c1ccc(COc2ccc3ccccc3c2)o1 20534213 KIEGPCQAIPGJSF-UHFFFAOYSA-N 451.935 5.297 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1c(OC(=O)c2cccc(C)c2)ccc2ccccc12 102274618 GHYHAPUWTSEWAJ-MWAVMZGNSA-N 458.602 6.958 50 50 JKGA Cc1cccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3Cl)ccc3ccccc23)c1 2543292 GTRJFJNLEBWLSE-WKULSOCRSA-N 477.347 6.438 50 50 JKGA O=C(Oc1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1)c1cccc(Cl)c1 4229764 UNEFBAZYTNFCCZ-LGJNPRDNSA-N 497.732 5.832 50 50 JKGA COc1cc(C=C(C#N)c2nc3ccccc3s2)cc(Br)c1OCc1ccccc1 1857797402 AERJENTVXYIDCT-UHFFFAOYSA-N 477.383 6.711 50 50 JKGA CCN(CC)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(OCc2ccc(Cl)cc2Cl)c1 4045004 JPUQPJJJWXTEGN-DEDYPNTBSA-N 491.422 7.359 50 50 JKGA C=CCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c(OC)c1 4327008 XXDKHKBQAWMJED-LQKURTRISA-N 464.949 5.185 50 50 JKGA COc1ccc(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 8399871 IUHAQXLCEKVEBB-NDZAJKAJSA-N 457.574 5.328 50 50 JKGA C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 43761119 FBQBBWRMHQZSMH-OJPXDDBDSA-N 472.928 5.630 50 50 JKGA Cc1ccccc1[C@@H]1C(C=NNC(=O)c2ccc([N+](=O)[O-])o2)=C(c2ccccc2)Oc2ccccc21 252679550 OBEBQXKELCDIAN-SANMLTNESA-N 479.492 5.848 50 50 JKGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 1143743 YPMCANDUEAMNTO-OAQYLSRUSA-N 475.759 6.041 50 50 JKGA O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1ccc(Cl)cc1 2311622 NFAILVOCUHKOEN-ZVBGSRNCSA-N 469.444 5.380 50 50 JKGA O=C(Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 2542709 OIASBUWQODFLOJ-IPPBACCNSA-N 497.765 6.783 50 50 JKGA COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 2943348 NGVYBJNCIVWINH-WYMPLXKRSA-N 460.759 5.283 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1)c1cccc([N+](=O)[O-])c1 3095182 IGEMTDINERCXKN-DHRITJCHSA-N 479.901 5.446 50 50 JKGA CCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)c(OCC)c1 4257328 KEDVDQSNCJVSNJ-BOPFTXTBSA-N 455.377 6.434 50 50 JKGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)cc3OC)c3ccccc3n2)cc1 695989 UJTNRNPOBGWTDG-OGLMXYFKSA-N 455.514 5.082 50 50 JKGA CC(C)(C)c1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(F)c3)n2-c2ccccc2)cc1 2332785 JDTIDMRDCGKFOD-STBIYBPSSA-N 487.604 5.613 50 50 JKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OCCCC)cc1 102291186 CWPZLHXCAAZYTD-URGPHPNLSA-N 458.731 8.577 50 50 JKGA COc1cc(/C=N/NC(=O)COc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccccc1 4372693 JIGSOGVUJOGBOR-ZCTHSVRISA-N 496.563 5.382 50 50 JKGA COc1cccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1 9019781 XSNKYAWGDDZQFR-WPWMEQJKSA-N 492.004 5.229 50 50 JKGA O=C(N/N=C/c1ccc(Cl)cc1)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1 9374946 COIYXOBYJORCSK-MZJWZYIUSA-N 465.340 5.726 50 50 JKGA COc1ccc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)n(-c3ccccc3)n2)cc1 25558966 AWSQXGOFOKJZFY-RDRPBHBLSA-N 462.509 5.171 50 50 JKGA S=C(SSC(=S)N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1 1669830 AVIPNNOKEHLBJQ-UHFFFAOYSA-N 488.728 8.614 50 50 JKGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2ccc(C(C)(C)C)s2)C2=C1CC(C)(C)CC2=O 2187807 HXZFALVNIVEINP-QHCPKHFHSA-N 480.077 6.948 50 50 JKGA CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 2341825 ZYWCNODMEWSXNP-VUTHCHCSSA-N 498.656 5.331 50 50 JKGA O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 4209899 KRPZAYMJCIHGJR-OCSSWDANSA-N 498.991 6.620 50 50 JKGA N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@H]1c1cccc2ccccc12 9108572 OYQJZHOARVBJDV-FQEVSTJZSA-N 492.398 5.313 50 50 JKGA Cc1ccc2cc(/C=N/NC(=O)c3ccn(Cc4ccc(Cl)cc4Cl)n3)c(Cl)nc2c1 25584268 PLXAEAJHKOEXBN-KBKYJPHKSA-N 472.763 5.512 50 50 JKGA O=C(O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21 245232085 PFNDLHUUVRPUCP-UYOMMXDPSA-N 498.963 6.471 50 50 JKGA N#CC1=C(n2cccc2)N(c2ccc(F)c(Cl)c2)C2=C(C(=O)CCC2)[C@@H]1c1cccc(F)c1 1432929 WFLXGUYZIQVEDG-XMMPIXPASA-N 461.899 6.423 50 50 JKGA C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1cc2ccccc2nc1Cl 4209382 GWCAMDBOFWDXDI-GBYSFBBLSA-N 459.933 5.385 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)cc1 4258575 SVHITHQFEDQVLJ-ADXYVXIDSA-N 480.948 5.266 50 50 JKGA C/C(=N\NC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1cccc(NC(=O)C(F)(F)F)c1 20157841 RWYQITHRYKHHOA-BLLKKSLCSA-N 471.504 5.561 50 50 JKGA C/C(=N\NC(=O)c1ccc(Br)s1)c1cccc(NC(=O)c2ccccc2F)c1 20159049 ONYQVAQTLYOQEA-WYMPLXKRSA-N 460.328 5.056 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)C(Cl)Cl)CC[C@]4(C)[C@@H]3CC[C@]12C 257348374 FAKDDMAOMPFPIR-LFNHTKMWSA-N 499.607 8.823 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccc4ccccc4c3)c2[C@@H]1c1cccc(OCc2ccccc2F)c1 623048 XHWUCAQDBPAIJM-AREMUKBSSA-N 488.522 6.166 50 50 JKGA Cc1ccccc1OCC(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 2529701 BMWIHTRIVMJJSL-LGJNPRDNSA-N 457.313 5.050 50 50 JKGA N#C/C(=C\c1ccccc1Cl)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 9349089 YEVAANTXDYPDEQ-VGOFMYFVSA-N 469.747 6.397 50 50 JKGA CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CC(C)(C)C2 9981679 DBCBMPBPJLPINJ-NRFANRHFSA-N 464.660 5.758 50 50 JKGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)cc2)cc1 2578294 AQEWCFJAACUBKW-NDZAJKAJSA-N 450.538 5.917 50 50 JKGA COC(=O)c1c(NC(=S)NNC(=O)c2csc(C)c2-c2ccccc2)sc2c1CCCC2 2852661 SHVXIVXYFBPYLW-UHFFFAOYSA-N 485.656 5.082 50 50 JKGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1Cl 4293283 QBRRJNZIFDOGQB-DHRITJCHSA-N 471.738 5.394 50 50 JKGA COc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 12393091 QYPAKCKTFPTVFA-NVMNQCDNSA-N 483.293 6.148 50 50 JKGA N#C/C(=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 13943564 XOKJNSKUYMLFSA-BOPFTXTBSA-N 475.302 5.877 50 50 JKGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cc1OC 705484 IPHRCEPGBRGPPH-HSZRJFAPSA-N 463.965 5.298 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(C)c3)nnc2-c2ccc(Cl)cc2)cc1 2361110 IEZMEXBLHGBTBV-JFLMPSFJSA-N 476.005 5.447 50 50 JKGA C=CCc1ccccc1OCC(=O)N/N=C/c1c(OC(=O)c2ccc(C)cc2)ccc2ccccc12 2531067 TYCCIYDSAZQHRH-ZCTHSVRISA-N 478.548 5.625 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2cccc3ccccc23)cc1 2531097 XOVICCAWHKGYDK-BIZUNTBRSA-N 488.543 6.050 50 50 JKGA COc1ccc([C@H]2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CC(C)(C)C3)cc1 713532 JIFWERSIQCVYCK-QFIPXVFZSA-N 467.491 5.655 50 50 JKGA CC(C)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3nccs3)NC3=C2C(=O)CCC3)cc1 2378623 FVYJSUTZBNMYDY-OAQYLSRUSA-N 464.616 5.067 50 50 JKGA COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(C)cc1 2506418 GENZGTZPALONQW-UVHMKAGCSA-N 487.339 5.059 50 50 JKGA O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1cccc2ccccc12 4259096 FNHYXVVOYXRKAB-VZCLQAGLSA-N 499.364 5.985 50 50 JKGA COc1cc([C@H]2C(C#N)=C(n3cccc3)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1F 12402369 GIUIYPDPNDIMPH-MHZLTWQESA-N 498.554 6.364 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1cccs1 16676345 POQMLWBPRZXZSB-FQEVSTJZSA-N 463.411 5.956 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc3ccccc3c2)cc1 2531069 OAIWHJVVPJYZBU-BIZUNTBRSA-N 488.543 6.050 50 50 JKGA CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)sc2c1CCC2 2849801 ZNQGDXIQLJYSPD-SDNWHVSQSA-N 466.544 5.422 50 50 JKGA Cc1cc(Br)ccc1N1C(N)=C(C#N)[C@H](c2ccc([N+](=O)[O-])s2)C2=C1CCCC2=O 12445878 STHRIBSVUHFFDY-LJQANCHMSA-N 485.363 5.032 50 50 JKGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 102293866 NCFGLPOJYJUBBQ-RDRPBHBLSA-N 486.012 5.266 50 50 JKGA COCCOCO[C@@H]1C=C2C[C@H]3C=CC(=O)[C@@H](C)[C@@]2(C[C@H]1C)[C@@H]3O[Si](C)(C)C(C)(C)C 216467444 PIOIBHNLXGMMQF-NQBGMQQISA-N 450.692 5.130 50 50 JKGA Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(F)c(F)c3)oc2c1 1857799845 GZMMFOJITQULDL-VWLOTQADSA-N 486.474 6.074 50 50 JKGA CCOc1cc(/C=N/NC(=O)COc2cc(C(C)C)ccc2C)ccc1OC(=O)c1ccccc1 2530522 RKGZAHNJKXUEPL-STBIYBPSSA-N 474.557 5.265 50 50 JKGA C[C@@H](Oc1cccc2cccnc12)C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 2933648 IMQXJEOXRJRYRU-HMNPYCRMSA-N 479.515 5.144 50 50 JKGA C/C(=N/NC(=O)c1sc2cccc(Cl)c2c1Cl)c1ccc(NC(=O)c2ccnn2C)cc1 8454781 DZJKPBNULKUUDA-PPDIBHTLSA-N 486.384 5.348 50 50 JKGA CCCc1ccc(/C(CC)=N\NC(=O)c2cc(-c3ccccc3)nc3c(Cl)cccc23)cc1 20572514 LRKKZAGPOCEGDQ-GDWJVWIDSA-N 455.989 7.052 50 50 JKGA CC(C)(C)[Si](OCCC[C@H]1CC2=CCC[C@@]3(C)[C@@H](C1=O)[C@@H]23)(c1ccccc1)c1ccccc1 216527747 SVXWLSYXLYSVIN-OHSFFLAQSA-N 458.718 5.905 50 50 JKGA O=C(Nc1cc(F)ccc1F)Oc1c(Br)cc([N+](=O)[O-])cc1Br 2156273 CYSOVBQLOVXJQQ-UHFFFAOYSA-N 452.005 5.009 50 50 JKGA Cc1cccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)c1 2708139 JLZHFDPKQJHPFY-OAUYIBNBSA-N 494.065 5.619 50 50 JKGA O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)Nc1ccc(Br)cc1Cl 2858988 XMTGOCFXYXZOIB-UHFFFAOYSA-N 474.742 5.001 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(N)=C(C#N)[C@H]2c1ccc(Cl)cc1 3665046 NROWTAPXIQBCAQ-HSZRJFAPSA-N 489.044 6.093 50 50 JKGA C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)cc1 16115125 IYIPDEPWLASLTM-RELWKKBWSA-N 457.537 6.055 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 102289264 ABRPZXHNSXVVQX-MWAVMZGNSA-N 487.084 7.689 50 50 JKGA CCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 102290192 FUKCLHQHOPNKKT-JBASAIQMSA-N 468.613 7.196 50 50 JKGA COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)ccc1OCc1ccc(Br)cc1 225347287 HKLUFKGORBVYLG-ODOXXOCOSA-N 471.395 5.313 50 50 JKGA CCOC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccc(Cl)cc2Cl)=C(C)N1 1112705 IJGNTOXGINDUNC-HXUWFJFHSA-N 492.384 5.217 50 50 JKGA CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Cl)c3)o2)sc2c1CCCC2 22109393 ATLWTIBIHSBIQJ-SSZFMOIBSA-N 480.973 6.263 50 50 JKGA C=CCSc1sc(-c2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100855311 GPYNRZDUWCWBHD-UHFFFAOYSA-N 494.645 6.708 50 50 JKGA CC1(C)CC[C@]2(C(=O)NN)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 252510605 APYOKISKLZLBOK-ZLHFCYBISA-N 486.741 5.110 50 50 JKGA biogenic CC(=O)C1=C(C)NC(SCC(=O)c2ccc(-c3ccccc3)cc2)=C(C#N)[C@H]1c1sccc1C 2921739 RGDNZTZABXXTKO-AREMUKBSSA-N 484.646 6.625 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)c2ccc(F)cc2)N1 9310873 JVAHTTSWKPRGDA-XMMPIXPASA-N 489.597 5.838 50 50 JKGA CCOC(=O)c1cc(C)sc1NC(=O)/C(C#N)=C/c1cccn1Cc1ccc(Cl)cc1Cl 20168615 VCDRNGYSUDUCOQ-MHWRWJLKSA-N 488.396 5.936 50 50 JKGA COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)o1 20550088 CTOXOIKAGFABMP-XNTDXEJSSA-N 454.935 6.117 50 50 JKGA CCOc1ccc(/C=N\NC(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cc1OC 35167011 DFDQKLDRQPQMBI-YSMPRRRNSA-N 466.925 5.155 50 50 JKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1c(O)ccc2ccccc12 102314142 CNMJNXJQAALXNM-BGABXYSRSA-N 452.683 8.257 50 50 JKGA Cc1c([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)sc2ccccc12 1446006 HXKXITZSPJSTAR-UUOWRZLLSA-N 454.599 5.180 50 50 JKGA C=CCOc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OCc1ccccc1 2506297 OVHVVKRQUIUUSA-WGOQTCKBSA-N 465.347 5.357 50 50 JKGA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4229799 OZFZSIRHSPLHAT-HWDKICEFSA-N 491.758 5.784 50 50 JKGA COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)ccc1OCc1ccc(Br)cc1 227000489 HKLUFKGORBVYLG-XZILLYEOSA-N 471.395 5.313 50 50 JKGA CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)c1 9907435 YRGNBAAHTDRHTJ-MOSHPQCFSA-N 470.598 5.851 50 50 JKGA N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 16429414 HQXTYAGIXNMQHD-NTEUORMPSA-N 457.769 8.094 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3OCC(=O)O)[nH]n2)cc1 102300433 CYMWGFJKLMRZBM-MTDXEUNCSA-N 492.576 5.043 50 50 JKGA CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC 169743191 XTAKDLWEWPRLGB-UHFFFAOYSA-N 460.840 7.593 50 50 JKGA in-vitro CC1(C)OB(c2cccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c2)OC1(C)C 169979851 RLEZOFQRNWFDFB-UHFFFAOYSA-N 479.389 5.480 50 50 JKGA in-vitro Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2521090 JAICRXBTOXIOMR-LGJNPRDNSA-N 457.313 5.050 50 50 JKGA CCCOc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)cc1 2532268 ZEJXUYNYXXPKJY-UXHLAJHPSA-N 486.955 6.265 50 50 JKGA O=C(N/N=C/c1ccc2ccccc2c1)c1ccc(NC(=O)c2ccccc2Br)cc1 2754656 ZXOVPYWBWAHSRV-JVWAILMASA-N 472.342 5.619 50 50 JKGA O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc(OCc2ccccc2)cc1 2929322 RLAOSBCQMHAFAP-AFUMVMLFSA-N 469.404 5.412 50 50 JKGA O=C(NNC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(COc2ccccc2Cl)o1 20508216 GIXQJVSKUCOXPB-UHFFFAOYSA-N 470.765 5.450 50 50 JKGA O=C(N/C(=C\S)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 100734607 CUKHDFMDSIABME-LHLOQNFPSA-O 474.973 5.793 50 50 JKGA Cc1ccccc1[C@@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C1C(=O)C[C@H](c1ccccc1)C2 695909 ZAEWVPMRWVQYHR-LYZGTLIUSA-N 490.563 5.910 50 50 JKGA Cc1cccc(C(=O)[C@@H](Br)[C@H](c2ccccc2)C2(C)C(=O)c3ccccc3C2=O)c1 3121961 PSSABAHYGLBCDR-VXKWHMMOSA-N 461.355 5.811 50 50 JKGA O=P(c1ccccc1)(c1ccccc1)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1P(=O)(c1ccccc1)c1ccccc1 245253801 FXCYJNJQLLGGGH-NZWZHHCMSA-N 494.511 5.958 50 50 JKGA C=CCc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)cc(OCC)c1OCc1ccc(Cl)cc1 823355821 RVHUYQWHWNTXPV-XQNSMLJCSA-N 479.020 6.402 50 50 JKGA N#CC(=CNc1ccc(Cl)cc1Cl)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2049286321 OBHGMEWINXUSMQ-UHFFFAOYSA-N 485.308 6.108 50 50 JKGA C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 2325809490 AWZYCGGQMKANKR-STPJHCLOSA-N 469.404 5.659 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc4ccccc34)n2-c2ccccc2)cc1 2210112 ZUAOUWLYWCLOBU-RDRPBHBLSA-N 477.593 5.638 50 50 JKGA C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 4259636 GBAONKPSLWWORV-BRVWEASZSA-N 488.543 6.130 50 50 JKGA C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1 4372615 QUDOLYLLGFAFEG-ZEXXOWEESA-N 480.564 5.762 50 50 JKGA Cc1cc(C)c2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(F)c(F)c3)c(C)c2c1 1857800542 DDMHAEXVHSSUKF-DEOSSOPVSA-N 486.474 6.074 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cccc(C)c2)cc1 2542500 LVUHVBQRVHFGIA-JVWAILMASA-N 495.373 5.529 50 50 JKGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)cc1 4259738 CCEKJGJWFWMYIX-PJAVDKHJSA-N 487.339 5.139 50 50 JKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 102287794 KQYBBAZENWXTNG-MUGXBBEHSA-N 492.748 8.977 50 50 JKGA COC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 220955888 XHJBHFIUWATSGJ-WLRTZDKTSA-N 471.134 5.423 50 50 JKGA N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1ccc(F)c(F)c1 1775976224 PLWPTWSAHNMHLR-RUZDIDTESA-N 454.432 5.555 50 50 JKGA O=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl 2374671 UIXGDXIROWKNCA-MUFRIFMGSA-N 463.368 6.064 50 50 JKGA CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3sccc3C(=O)OC(C)C)o2)cc1 20169014 MPLNXTPNJFUOJH-QGOAFFKASA-N 478.526 5.296 50 50 JKGA CC(C)OC1=C(OC(C)C)[C@]2(O)[C@@H]3CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3[C@H]3CCC[C@]32C1=O 257355608 BSEGXXLCKDYGMT-IICDZQCDSA-N 478.746 5.969 50 50 JKGA Cc1ccc(C)c(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c1 2581479 RVJOMELVIPBRPA-VULFUBBASA-N 467.363 5.174 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 5352303 UQAZJGNWZWVDDA-JVWAILMASA-N 493.976 5.279 50 50 JKGA C/C(=N/NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2ccccc2F)c1 8456053 FWPPNHQXHLKRAG-LJDLZNRSSA-N 471.576 6.019 50 50 JKGA O=C(N/N=C\c1ccc(-c2cccc(Br)c2)o1)[C@H]1COc2cc3ccccc3cc2O1 16677607 KNNXITWNKWMMNZ-BZHYDHQASA-N 477.314 5.152 50 50 JKGA COc1ccc(COCC[C@@H]2[C@@H](C=O)C[C@H]3[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]4C=C[C@@H]23)cc1 169834898 PHPBPQUNCCTYKL-PIVRSAFASA-N 484.753 6.656 50 50 JKGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)cc1COc1ccccc1Cl 622812 CZWLODSVZBZKIL-XMMPIXPASA-N 498.970 5.844 50 50 JKGA Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccccc3C(F)(F)F)s2)cc1 1819888 PFERLRHWENXCPZ-YSURURNPSA-N 482.578 5.400 50 50 JKGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2530119 VEAHFVJCDRNVBK-JFLMPSFJSA-N 469.324 5.541 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 102303306 QIKOJQSXXGQKCK-UQRQXUALSA-N 472.629 7.430 50 50 JKGA N#CC1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl 2089897 CEJSRDVZIFEEHL-DWXRJYCRSA-N 486.402 6.692 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCC)cc3)c(OC)c2)cc1 4330438 MEAYYWYNYRSYRT-VUTHCHCSSA-N 490.556 5.256 50 50 JKGA O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 4372917 JVNMNPXGTKSHJE-UXHLAJHPSA-N 484.939 5.755 50 50 JKGA COc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 5352257 LZGJMZSQQAGEFX-OGLMXYFKSA-N 479.005 5.379 50 50 JKGA CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2ccc(C)c(Cl)c2)C2=C1C(=O)CC(C)(C)C2 9982123 IETILPATYLHDNQ-NRFANRHFSA-N 484.090 6.681 50 50 JKGA CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCCl)CC[C@]4(C)[C@H]3CC[C@]12C 253499853 PRYJZWFEVZHKQI-GCMMKGCVSA-N 477.173 8.857 50 50 JKGA biogenic COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2cccc(Cl)c2Cl)cc1 2521711 XJPGCQYNHMXFDL-CCVNUDIWSA-N 495.366 5.384 50 50 JKGA O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1I 2530478 AAQCZZAQBKXKQE-ZMOGYAJESA-N 490.728 5.288 50 50 JKGA C=CCOc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc23)cc1 2542980 IAQGXZQKSFXRHX-UXHLAJHPSA-N 484.939 6.041 50 50 JKGA COc1ccccc1/C=C/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 2341325 OPZJFZATTYBYAA-LLTKLJFCSA-N 483.597 5.159 50 50 JKGA N#C/C(=C/c1ccc(OCC(=O)O)c(I)c1)c1ccc(Cl)c(Cl)c1 16361485 ZUFGMSZXTMSXSQ-XGICHPGQSA-N 474.081 5.126 50 50 JKGA N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(C#N)cc1 16382986 ZIZQKNZSUCVNSF-JAIQZWGSSA-N 460.287 5.872 50 50 JKGA N#CC1=C(N)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl 22002519 GGPRBESJAGNKMY-LJQANCHMSA-N 490.188 5.456 50 50 JKGA CCOC(=O)[C@H](C(C)=O)C(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100701851 QRDQWFKMIIJAIV-HSZRJFAPSA-N 486.355 5.396 50 50 JKGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc2ccccc12 1127631 PRZTYSGXYNUQMC-MHZLTWQESA-N 480.564 5.878 50 50 JKGA CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2cccc(C)c2)NC2=C1C(=O)CCC2 1296562 GWRBQQGDJXZXKK-RUZDIDTESA-N 473.598 5.195 50 50 JKGA CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2ccccc2Cl)C2=C1C(=O)CC(C)(C)C2 2542321 SUMXDXWIWYWVRV-HXUWFJFHSA-N 470.063 6.373 50 50 JKGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccco1 2584186 CRXKSJSVOFNNRN-WYMPLXKRSA-N 472.357 5.077 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc4ccccc4c3)cc2)cc1 4258683 UWZWGCKLBRHUJM-AJBULDERSA-N 496.563 5.767 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)[nH]n1)c1ccc2ccccc2c1 9109199 LVYMBYKMFIECDU-ZCTHSVRISA-N 494.982 6.616 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccc(C(F)(F)F)cc1 13239334 RWDBXPDYYVYYAE-CCVNUDIWSA-N 468.504 5.346 50 50 JKGA CC(C)(C)[Si](C)(C)OCC[C@H]1OC[C@]1(/C=C/I)OCc1ccccc1 217455629 LKHNWMBEEUAVLR-CQEYOHBHSA-N 474.455 5.701 50 50 JKGA O=C(N/N=C/c1c[nH]c2ccccc12)c1scc2c1NC(=O)C2(c1ccccc1)c1ccccc1 1875289910 XLRKAPLNFLYHOY-OKCVXOCRSA-N 476.561 5.280 50 50 JKGA O=C(Cc1ccccc1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1 2531065 SOCANAFYIAKFCW-AFUMVMLFSA-N 471.738 5.015 50 50 JKGA COc1ccccc1OCC(=O)N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12 2532326 NPTLRFZGXZFXNN-MUFRIFMGSA-N 488.927 5.250 50 50 JKGA N#C/C(=C\c1ccc(I)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 16511263 FOGBBRLTRXCIEM-KGENOOAVSA-N 490.369 7.146 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc([N+](=O)[O-])cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 16676257 GPRBZUDPUUSHMV-QFIPXVFZSA-N 467.934 5.149 50 50 JKGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 102284345 HYBXBYURDFQMSF-AWSUPERCSA-N 493.692 6.533 50 50 JKGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(Br)cc1OCc1ccc(C)cc1 1144220 URVFIWITBKOAAY-QHCPKHFHSA-N 495.373 5.160 50 50 JKGA C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 2529607 GAXSSAFKWWWAMR-HJHSVFMCSA-N 458.945 5.990 50 50 JKGA COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OC(=O)c1ccc(Cl)cc1 2584698 JQJWXYHINKCMRQ-RWPZCVJISA-N 474.900 5.191 50 50 JKGA CCn1c2ccccc2c2cc(/C=C(\C#N)C(=O)Nc3sccc3C(=O)OC(C)C)ccc21 20215156 BQJSGGGMERBPON-QGOAFFKASA-N 457.555 5.987 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc(CC)cc2)cc1 2531832 BFJIJFBTRNUBGO-ZCTHSVRISA-N 496.563 5.549 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1)c1ccc2ccccc2n1 4209908 BFEJXPJWMQUVLB-RWPZCVJISA-N 485.952 6.086 50 50 JKGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)[nH]n1 5314493 WJNLFLGBHUPATB-OKCVXOCRSA-N 496.954 5.932 50 50 JKGA C/C(=N\NC(=O)c1cccc(Br)c1)c1ccc(NC(=O)c2ccccc2Cl)cc1 8400073 BSQSSXZOZCMZKI-VULFUBBASA-N 470.754 5.509 50 50 JKGA C/C(=N\NC(=O)c1cc(C2CC2)nc2ccc(Br)cc12)c1ccc(C(C)C)cc1 8454720 IJQXYDQPFNZDAJ-JFLMPSFJSA-N 450.380 6.152 50 50 JKGA O=C(N/N=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccc([N+](=O)[O-])cc1 32617969 VOHYDTNIUUOZKT-ZRGSRPPYSA-N 467.312 5.669 50 50 JKGA CCCCCCCCCCCCCCCCOc1ccc(OC)cc1C(=O)NNC(=S)SC 100815703 RACJJAVFDZGWPO-UHFFFAOYSA-N 496.783 7.438 50 50 JKGA O=C(NNC(=S)Nc1cccc2ccccc12)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)F 2792331 BVASGBSIUWNVST-NHCUHLMSSA-N 492.555 5.031 50 50 JKGA O=C(N/N=C/c1c[nH]nc1-c1ccc(F)cc1)c1sc2cccc(Br)c2c1Cl 13321838 HADKORXXDYOLKN-PGGKNCGUSA-N 477.746 5.610 50 50 JKGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(Cl)cc2)cc1 2531125 YCJPILRHTWBMRA-LQKURTRISA-N 458.901 5.485 50 50 JKGA Cc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1C 4209663 HSFLDAYIKQMLOR-CCVNUDIWSA-N 492.984 5.920 50 50 JKGA CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(I)c1OCC 12393113 QIPSEXFUJDSGGX-ZSOIEALJSA-N 489.313 5.038 50 50 JKGA CC[C@H](/C=C\[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)Cl)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 254622692 FOQAJGFTDYXPDS-YZBLGLPASA-N 475.157 9.184 50 50 JKGA CC1(C)Cc2c(cnn2-c2ccccc2)-c2c1c1ccccc1n2C[C@@H](O)CBr 978409 IMCIDXDPSMQGLU-KRWDZBQOSA-N 450.380 5.084 50 50 JKGA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)c2ccc(C)cc2)N1 1229601 IJEAKCNVLXBUDT-SANMLTNESA-N 499.661 6.316 50 50 JKGA CCCCOc1ccc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1 2521875 HVTYJIMJSZMZLH-YZSQISJMSA-N 485.993 5.084 50 50 JKGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(Cl)cc2)c1 2572912 LLQHLPUUUOTWKS-DHRITJCHSA-N 471.738 5.394 50 50 JKGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1 4372671 YPDJSMQLTUZBPB-QFCVIPEKSA-N 450.538 5.850 50 50 JKGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5403106 CLUBLWXXTIZLSP-FDAWAROLSA-N 472.548 5.671 50 50 JKGA CCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 102288656 WKZIHSMXMNVJBT-BYNJWEBRSA-N 484.706 7.899 50 50 JKGA O=C(Oc1ccccc1/C=N/NC(=O)c1ccccc1Br)c1ccc(Cl)cc1 2553077 DIVXBJCJRRQQCQ-ZMOGYAJESA-N 457.711 5.086 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 102291191 YQUGBIBPCZLFHU-TURZUDJPSA-N 459.030 6.909 50 50 JKGA CCc1ccc([C@H]2C(C#N)=C(SCC(=O)c3ccc([N+](=O)[O-])cc3)NC(C)=C2C(C)=O)cc1 1199016 ONWQJWULTTUEPH-DEOSSOPVSA-N 461.543 5.058 50 50 JKGA COc1ccccc1C(=O)N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12 2553260 OGTXPEZJJPZPPA-LQKURTRISA-N 458.901 5.485 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1ccc(Cl)cc1 5351698 WZMVGMUUINFQDT-LQKURTRISA-N 483.424 6.024 50 50 JKGA COc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1 5352848 XLRLRANPIKTTRV-OGLMXYFKSA-N 479.005 5.379 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1 13239553 YCUHIYXYJMQXSX-LGJNPRDNSA-N 469.397 5.634 50 50 JKGA C[C@@H](NC(=O)/C(C#N)=C/c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1ccccc1 20551279 KJCKRSUBGNLGDM-QTCOBDOFSA-N 473.498 6.493 50 50 JKGA CCCCSc1nc(C)nc(O)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 96022286 HMHZVWNMGFNAHP-UHFFFAOYSA-O 459.575 5.002 50 50 JKGA CC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 666927 GCCLCKMGWIQRPL-RNWIMVQKSA-N 480.995 6.804 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@@H]1c1c[nH]nc1-c1ccc(F)cc1 718414 XBWVLMJAYBFUJU-KRWDZBQOSA-N 467.291 5.131 50 50 JKGA COc1ccc(OC)c(-c2cc(C(=O)N/N=C/c3c(C)cc(C)cc3C)c3ccccc3n2)c1 2089720 KADZONLCTFKNGR-MUFRIFMGSA-N 453.542 5.608 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccccc1Cl 4527540 DUXLTJQQCKJXGT-OVVQPSECSA-N 476.005 5.529 50 50 JKGA COc1ccc(/C(C)=N/NC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)cc1OC 4528131 RWLIXZBDESPQFI-TWKHWXDSSA-N 468.557 5.165 50 50 JKGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 946605 IFDMVWMJHCDYCL-UXHLAJHPSA-N 490.567 5.222 50 50 JKGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)c1 2529569 LBYHKONFZPCXLE-IPPBACCNSA-N 499.394 6.174 50 50 JKGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C2CCCCC2)cc1OC 2544492 XVBLJVBLYWJXGW-OGLMXYFKSA-N 460.530 5.107 50 50 JKGA CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 4347349 RDOZAOWPSATHMY-UXHLAJHPSA-N 472.972 6.164 50 50 JKGA CCc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3F)C3=C2C(=O)CCC3)s1 6284131 NINPPSFATKRWGA-FQEVSTJZSA-N 472.383 5.517 50 50 JKGA O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2cccc(OCc3ccccc3Cl)c2)[nH]n1 9087942 MIWQNCITNYJPME-WKULSOCRSA-N 469.932 5.554 50 50 JKGA Cc1cc(C)c(/C=N/NC(=O)CCCCCCCC(=O)N/N=C/c2c(C)cc(C)cc2C)c(C)c1 23550122 ZKLFBAFIYVFWDI-GFTXTJKWSA-N 476.665 5.868 50 50 JKGA C=CCSc1oc(-c2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97976875 DQXSSVZNVXNDIE-UHFFFAOYSA-N 478.577 6.239 50 50 JKGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(C)c2)cc1 102282009 NFKGGBYKNQQWPP-NJZRLIGZSA-N 493.648 5.701 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@H]4[C@@]34CC[C@]2(C1)OO4 257358608 VGXFJJGBIOGXFM-VKKRUJTFSA-N 472.710 7.413 50 50 JKGA CC(C)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3nccs3)NC3=C2C(=O)CCC3)cc1 2378618 FVYJSUTZBNMYDY-NRFANRHFSA-N 464.616 5.067 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1)c1ccc2ccccc2c1 5402531 XEYBIXPMJQJDOT-TWKHWXDSSA-N 460.537 5.963 50 50 JKGA CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NNC(=O)c1csc2ccccc12 20168680 LMUOPTCFNVJOAW-UHFFFAOYSA-N 495.651 5.362 50 50 JKGA N#C/C(=C/c1cc(Br)cc(Br)c1O)C(=O)Nc1ccc(Cl)cc1 22064566 DBVNYZJUGNJLAH-YHYXMXQVSA-N 456.521 5.116 50 50 JKGA CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)cc1 28627978 AELGOQUCCRXEEQ-XLNRJJMWSA-N 459.553 6.277 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(C)cc2)c(OC)c1 102264350 PPMXLJUPNRCPEN-XHLNEMQHSA-N 466.622 6.594 50 50 JKGA CC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2[C@@H]3C[C@@H]4[C@@H](CCO[C@@H]4O[Si](C)(C)C(C)(C)C)[C@@H]3C=C[C@@H]2C1 169834861 CQOKEPQSENXION-OBLMWKTISA-N 478.866 7.610 50 50 JKGA Cc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1 2266060 LCQILPAKGWKSQW-CVKSISIWSA-N 461.978 5.139 50 50 JKGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/C=C/c1ccccc1 2335408 GGVAYGJNYRFDIL-MPCPQKGKSA-N 473.989 5.495 50 50 JKGA Cc1ccc(COc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)cc1 4302358 SPMJKGGNEXEANN-HDFIIFABSA-N 457.357 5.798 50 50 JKGA COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OCc4ccccc4F)cc2)C(C#N)=C(N)O3)cc1 8567395 FCVVNEMJBLYQHU-QHCPKHFHSA-N 468.488 5.022 50 50 JKGA COc1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3ccccc3C(F)(F)F)c3ccccc32)c1 20274337 FKHQOFIUBSRPJD-XMHGGMMESA-N 475.470 6.263 50 50 JKGA C=C(C)[C@@H]1CC[C@]2(N=C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 253500069 VQWHXXYGQNAQAN-NNLYDIJPSA-N 451.695 7.301 50 50 JKGA biogenic Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1 2531352 BXRJJNKIOUVKSI-MUFRIFMGSA-N 485.927 5.110 50 50 JKGA CCCOc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(OCC)cc3)ccc3ccccc23)cc1 2531794 VDPKUCLMQJPFRO-AJBULDERSA-N 496.563 6.010 50 50 JKGA N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@@H]1c1c(F)c(F)c(F)c(F)c1F 2753921 LRFBOJZLPLUVKE-CQSZACIVSA-N 465.809 5.340 50 50 JKGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 4282653 VWFUHYBKMHBNMU-AMVVHIIESA-N 497.353 6.394 50 50 JKGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(CSc2nc3ccccc3s2)c(C)s1 12372406 WGCWFSNQOZINNU-LJQANCHMSA-N 469.613 5.213 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)c(Cl)c1)C(n1cccc1)=C(C#N)[C@H]2c1cccs1 12402298 UHIZZOSSHWMFHT-QHCPKHFHSA-N 477.992 6.981 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])s1 12402338 PWCMJANLCZIPQQ-LJQANCHMSA-N 454.939 5.251 50 50 JKGA COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(C#N)/C(O)=N/c2nccs2)cc1OC 20259265 UQVSHJIOOFAIAM-XDHOZWIPSA-N 471.542 5.267 50 50 JKGA CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)s1 20562512 ISWDOOSMWLFHFJ-CPNJWEJPSA-N 478.545 5.751 50 50 JKGA C1=C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)Oc2ccccc2[C@@H]1c1ccccc1 100720657 JNQUNWZYRWAHFS-HKBQPEDESA-N 469.544 7.046 50 50 JKGA CCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 102316234 ZLNHMABQNGSKQV-QCKNELIISA-N 478.677 7.837 50 50 JKGA COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 203595410 FYICTKZKCGJHMG-HDMGBMMLSA-N 476.774 6.634 50 50 JKGA in-vitro O=C(N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12)c1ccc(Cl)cc1 2543038 BXBIMBOCLMWPAO-RWPZCVJISA-N 463.320 6.130 50 50 JKGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(COc3ccc(Br)cc3)o2)[C@H]2CCCC=C12 2768787 SPHGNSHLTCOGPQ-SIKLNZKXSA-N 475.346 5.215 50 50 JKGA Cc1cccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4[nH]nc(-c5ccc(Cl)cc5)c43)cc2)c1 8437696 YTJGVFMOOHCRMX-HSZRJFAPSA-N 468.944 5.836 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1Cl)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])s1 12402318 VEVJBXZKCUJJHA-LJQANCHMSA-N 499.936 5.159 50 50 JKGA CCCCCCSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N1 13175722 LOPBQHQPSWTUOM-DEOSSOPVSA-N 466.050 6.988 50 50 JKGA O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 32630918 ARFBEYZFUPLKIO-YUMHPJSZSA-N 459.889 5.481 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OCC)cc3)[nH]n2)cc1 100731780 KUJLBOCQAYGFHP-VFCFBJKWSA-N 462.594 5.979 50 50 JKGA N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1 1190945 SWUQGRKYJWQSEE-RVDMUPIBSA-N 471.366 6.091 50 50 JKGA COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)c1 2276413 HPHDZDFASJCBGK-JFLMPSFJSA-N 492.004 5.147 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)cc1 2530311 VCSQRJXNMIHPGD-AJBULDERSA-N 496.563 6.010 50 50 JKGA Cc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 2699840 AMTKYXNJDJKNNI-CVKSISIWSA-N 461.978 5.139 50 50 JKGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(Br)o2)c([N+](=O)[O-])c1 3186649 VOLAFZYPFIZLDB-FOKLQQMPSA-N 480.359 5.193 50 50 JKGA CC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(C)cc2)cc1 4209333 VBDOBHBNPFEAPC-FEGPCZTRSA-N 485.367 5.829 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1ccccc1 9199242 QZYUWHFWXFHEKM-OVVQPSECSA-N 476.005 5.529 50 50 JKGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(Br)cc2)[C@H]2C[C@H](c3ccccc3)CC=C12 230090916 LYIKSXMWYJEQPQ-RZFNWQHOSA-N 455.359 5.436 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(N)=C(C#N)[C@H]2c1ccccc1 2188769 CCUBNZBODKCXQE-HSZRJFAPSA-N 454.599 5.439 50 50 JKGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2530355 POQVGJMHXVEFKQ-RWPZCVJISA-N 464.949 5.520 50 50 JKGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(Cl)cc2)cc1 2572916 HBFUNMFVAFEHML-DHRITJCHSA-N 487.737 5.094 50 50 JKGA COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1 2572917 FAMMZHGMHRZCGU-DHRITJCHSA-N 487.737 5.094 50 50 JKGA O=C(COc1ccccc1)N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl 4210920 KACMEGDOCTVMCP-VULFUBBASA-N 464.930 5.303 50 50 JKGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 4259157 IFNKZLAYIHPIMY-CJHIPLPSSA-N 452.510 5.285 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cc(C(C)C)ccc3C)cc2)cc1 4259526 HJLWQGWDFIWQPE-UXHLAJHPSA-N 488.584 5.656 50 50 JKGA COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(C#N)cc1 9187111 SHTULFILUYXISW-VXLYETTFSA-N 485.341 5.849 50 50 JKGA COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)c1OCc1ccccc1Cl 20274643 QUXLDFIHHMTOLS-QFIPXVFZSA-N 484.943 5.536 50 50 JKGA C=CC[C@@]1(O)[C@@H](C(OCC)OCC)C[C@H]2[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@H](CC)[C@H](C)C[C@@H]12 169830647 WKYJVUOFSCMIMO-PMYUOBNVSA-N 494.833 7.038 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCl)CC[C@]4(C)[C@H]3CC[C@]12C 257358995 XUXXPLDKUZSGKH-BNPARXMOSA-N 463.146 8.178 50 50 JKGA O=C(Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1F)c1ccc(Cl)cc1 2530616 AVEIRMRGTYGYJR-BRJLIKDPSA-N 475.701 5.225 50 50 JKGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 4231358 GBLRVGOQQWPBRM-HNSNBQBZSA-N 491.566 6.729 50 50 JKGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 4283431 KZTPLFFFUQJTEW-NXYZXBHKSA-N 457.313 5.130 50 50 JKGA C/C(=N\NC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(Br)s1 8454647 PLICBIILQSQTDL-FBCYGCLPSA-N 492.645 6.295 50 50 JKGA CC/C(=N\NC(=O)c1cc(-c2cccc(OC(C)C)c2)nc2ccccc12)c1cc(O)ccc1O 13321405 SWCLUALEOCAAJG-BGABXYSRSA-N 469.541 5.644 50 50 JKGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C/C=C/c1ccco1 2698623 AUCNOQQIVYPWBV-ZYEYVJLFSA-N 498.395 5.742 50 50 JKGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4229734 OVOGBNFKOMNVCV-YXPATYGBSA-N 490.559 5.890 50 50 JKGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 4366068 ZNBFHDJMVRPBKO-NXYZXBHKSA-N 457.313 5.130 50 50 JKGA COc1cc(/C(C)=N/NC(=O)c2sc3cc(Br)ccc3c2Cl)ccc1O 8454654 PRTDDVSASUMTMF-ZVBGSRNCSA-N 453.745 5.185 50 50 JKGA COc1cc(/C=N/NC(=O)C(C)(C)Oc2ccc(Cl)c(C)c2)cc(Br)c1OC(C)C 20352419 MRMJGEMNTPXEIZ-BRJLIKDPSA-N 497.817 5.514 50 50 JKGA COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)[C@@H](Br)[C@@]12C 257348979 KLRIHFBNZZHISJ-WLGWQWSLSA-N 483.487 5.699 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 1057054 UEDNRBMCPYXMPT-NRFANRHFSA-N 493.361 5.298 50 50 JKGA CCc1ccc([C@@H]2C(C#N)=C(SCC(=O)c3ccc([N+](=O)[O-])cc3)NC(C)=C2C(C)=O)cc1 1199018 ONWQJWULTTUEPH-XMMPIXPASA-N 461.543 5.058 50 50 JKGA C/C(=N/NC(=O)c1cccs1)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 8453976 XQCZTMMCDAQFHS-MXAYSNPKSA-N 462.358 5.226 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/C(Cl)=C/c1ccccc1 9635783 MZFNCUILFPQNBD-KNGTWFMJSA-N 460.990 5.559 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(Br)c1)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])s1 12402328 CQKVXCICZGLKSR-LJQANCHMSA-N 499.390 5.360 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1cccc(OCc2cccc(Cl)c2)c1 20437326 LPPKPFKBBLNJCH-QFIPXVFZSA-N 489.362 6.181 50 50 JKGA Cc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 2252615 AHVMLRHVDRAARN-MZJWZYIUSA-N 496.423 5.792 50 50 JKGA N#C/C(=C\c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)c1nn(-c2ccccc2)c(N)c1C#N 16393386 GIGJSNLYSLRZOF-MDWZMJQESA-N 480.742 6.611 50 50 JKGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C\c2cc3ccccc3nc2Cl)c([N+](=O)[O-])c1 32666351 YGYPGEDOYHVPGA-MUXKCCDJSA-N 496.995 6.039 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]4[C@@]34CC[C@]2(C1)OO4 257355717 CFMKCUWPLCALSC-JDKJPGICSA-N 470.694 7.189 50 50 JKGA Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccncc3)sc2c1 1775977241 SIAGBXIDXCAHRF-NRFANRHFSA-N 473.941 5.696 50 50 JKGA N#CC1=C(N)Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc2[C@H]1c1c(F)cccc1Cl 1857799467 DPNCZVFROCNYJC-HXUWFJFHSA-N 491.327 5.118 50 50 JKGA C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2cc(C)on2)cc1 1005691 GBPFGPIPZJLJMV-DHRITJCHSA-N 452.923 5.257 50 50 JKGA COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C(C)C)cc3)C3=C(CCCC3=O)N2)c1 1240020 WMVAFWBVTFLKSD-SANMLTNESA-N 487.625 5.620 50 50 JKGA C/C(=N\NC(=O)c1cccc2ccccc12)c1ccc(/C(C)=N/NC(=O)c2cccc3ccccc23)cc1 13961601 SACSTSGTOLPWBX-WXGDAXOSSA-N 498.586 6.301 50 50 JKGA COc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 16671856 WFDLFGYKYXOGCT-NYYWCZLTSA-N 456.181 7.496 50 50 JKGA COc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc(OC(=O)c4ccccc4)cc3)sc2c1 19833555 PIJAOFGKFISJLX-VULFUBBASA-N 464.930 5.546 50 50 JKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OC)c(OC)c1OC 102316252 WIWVNUNVDXXUBO-BYNJWEBRSA-N 476.702 7.424 50 50 JKGA Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@H](C)[C]2[CH][CH][CH][C]2P(c2ccco2)c2ccco2)c1 103612463 RACRCRQONICHOW-RUZDIDTESA-N 497.535 6.793 50 50 JKGA CC(C)[Si](O[C@@H]1C=C(C2(O)CCC2)OC[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C 169834029 KYBVWWCNYOVFDI-JWQCQUIFSA-N 498.897 7.937 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1)c1cccc([N+](=O)[O-])c1 1468851 KFQHSFNGYNNAOH-OVVQPSECSA-N 469.501 5.026 50 50 JKGA COc1cc(/C=N/NC(=O)C2CCCCC2)ccc1OC(=O)c1sc2ccccc2c1Cl 2521903 BRYVNIICKGZNOE-VULFUBBASA-N 470.978 5.813 50 50 JKGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 102284123 BHQRQJMNNHQHRM-RDRPBHBLSA-N 486.012 5.266 50 50 JKGA O=C(N/N=C\C1[C@]2(c3ccccc3)[C@H]3C=C[C@@H](C3)[C@@]12c1ccccc1)c1ccc2ccccc2n1 103216324 CRUOPDNYDLRRIC-HIXDOCRNSA-N 455.561 5.662 50 50 JKGA Br[C@H]1C[C@]23C=C[C@]2(C[C@@H]1Br)C[C@@H](Br)[C@@H](Br)C3 254799208 ZWHWSQOPWQCLCG-UQPICLANSA-N 477.860 5.171 50 50 JKGA CCCCCCOc1cc(CBr)c(OCCCCCC)cc1CBr 103578833 WXZHEUZDKJZODF-UHFFFAOYSA-N 464.282 7.395 50 50 JKGA CN(C)c1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 2089822 AKOTWWOOWGNISC-LYZGTLIUSA-N 495.026 6.104 50 50 JKGA CCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1 4210312 BRPWAOQNRFQIOV-JVWAILMASA-N 450.922 5.041 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1cccc(Cl)c1Cl 13231384 NHOXOSUCNIZNCS-LGJNPRDNSA-N 469.397 5.634 50 50 JKGA CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(I)cc3)n2)cc1 16511687 FBMXXIQOSYELHQ-LFIBNONCSA-N 458.324 5.878 50 50 JKGA COc1cccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c1OCc1c(F)cccc1Cl 20572562 RKVIJFQAFPQLLR-LDADJPATSA-N 492.355 6.058 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)c(OCC)c3)[nH]n2)cc1 102302114 OTDPFOITFDZKSD-TURZUDJPSA-N 478.593 5.684 50 50 JKGA N#CC1=C(n2cccc2)N(c2ccc(F)c(Cl)c2)C2=C(C(=O)CCC2)[C@H]1c1cccc(F)c1 1432930 WFLXGUYZIQVEDG-DEOSSOPVSA-N 461.899 6.423 50 50 JKGA N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1c(Cl)cccc1Cl 1472234 ZEVXNFDPKZCPOH-FQEVSTJZSA-N 459.336 6.064 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(OC)cc1 2544021 BXGCKLGPZNZXSF-MZJWZYIUSA-N 487.339 5.384 50 50 JKGA N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1nc(O)c2ccccc2n1 9972289 YSIVFEYUENRNAG-JXAWBTAJSA-N 460.453 5.160 50 50 JKGA CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccccc2)s1 20562582 PROYBPOMOPHNCH-HMMYKYKNSA-N 496.592 5.886 50 50 JKGA N#C/C(=C/c1cc(Br)c(Br)s1)C(=O)Nc1cccc(Cl)c1Cl 20568804 YPUZMUXQCHAJOU-DAXSKMNVSA-N 480.996 6.126 50 50 JKGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(OCc2c(F)cccc2Cl)cc1 1089502 OLZDREOHJAIRNX-IVCQMTBJSA-N 490.918 5.860 50 50 JKGA aggregator CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1sccc1C 1199105 BYGHQVFKECJHGW-HXUWFJFHSA-N 477.438 6.264 50 50 JKGA O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(Sc2cccc3cccnc23)o1 2870294 VPKAMCOUVWGWEJ-LGJNPRDNSA-N 468.003 6.016 50 50 JKGA Cc1ccccc1OCC(=O)N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl 4209937 BPAWNWYOOXMZSU-MZJWZYIUSA-N 478.957 5.611 50 50 JKGA N#C/C(=C\c1cc2cc(Br)ccc2nc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 13602754 YSHCFEIEYKAXFN-OVCLIPMQSA-N 487.209 7.492 50 50 JKGA CCc1c(C(=O)NNC(=S)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)csc1C 20191664 NNHLCLYLRDCWOU-UHFFFAOYSA-N 473.645 5.074 50 50 JKGA COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1COc1cccc(C(F)(F)F)c1 20551271 CRLJZWIJYHNCIP-LANLRWRYSA-N 480.486 6.077 50 50 JKGA CCCCS/C=C(/NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 170622919 XJJUYJBIIHFLLH-JVCXMKTPSA-O 496.636 6.743 50 50 JKGA COCO[C@@H]1C=C[C@@]23[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@H]2C2(C[C@H]3C1)SCCCS2 216492517 ZAVFGPCXPDNXRS-YHZBMZHBSA-N 456.790 6.309 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1)C(N)=C(C#N)[C@@H]2c1cccs1 1057081 GUIDHYQEDYMHBJ-LJQANCHMSA-N 454.393 5.451 50 50 JKGA N#CC1=C(n2cccc2)N(c2cccc(Cl)c2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12 12377296 DDMZKPNMUSEAPW-HHHXNRCGSA-N 466.928 5.251 50 50 JKGA CCCOc1cccc(-c2cc(C(=O)N/N=C(\CC)c3cc(O)ccc3O)c3ccccc3n2)c1 13321427 NETQWUYRHUTJOP-BGABXYSRSA-N 469.541 5.646 50 50 JKGA COc1ccc(/C=C(\C#N)C(=O)NCc2ccc(F)cc2)cc1OCc1cccc(C(F)(F)F)c1 20259324 KDENNLQBIURLKW-RGVLZGJSSA-N 484.449 5.655 50 50 JKGA Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H](C)[C]2[CH][CH][CH][C]2P(c2ccco2)c2ccco2)c1 100032580 RACRCRQONICHOW-VWLOTQADSA-N 497.535 6.793 50 50 JKGA C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 230208614 MDEVGSRYRLSVOE-RIQFCPEOSA-N 465.553 5.193 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H](O)[C@H](Br)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 257358980 XSXHTVGXMMGURA-IOMSABGXSA-N 483.575 6.813 50 50 JKGA COc1cc(/C=N/NC(=O)COc2cccc3ccccc23)ccc1OC(=O)c1ccc(Cl)cc1 2506415 QUWIISONJPWKNY-MUFRIFMGSA-N 488.927 5.250 50 50 JKGA C/C(=N\NC(=O)c1cc(C2CC2)nc2ccc(Br)cc12)c1ccc(Br)s1 8454724 DFZLRQZVDVJMAY-AUEPDCJTSA-N 493.224 5.853 50 50 JKGA COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1ccc(OCCC(C)C)c(OC)c1 20468574 KIWRDSSQWPIGFX-WOJGMQOQSA-N 470.591 5.637 50 50 JKGA CC(C)(C)NC(=O)NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95749438 XDQWUVOYEUIEOH-UHFFFAOYSA-O 472.376 5.682 50 50 JKGA COc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(C(C)(C)C)s3)C3=C2CC(C)(C)CC3=O)cc1 1057853 YSGJICMERDHBRE-HSZRJFAPSA-N 461.631 5.995 50 50 JKGA CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Sc1nc2ccccc2s1 20177057 GYFADTRIPCVEMN-OVMKCGGTSA-N 464.410 5.088 50 50 JKGA COc1ccc(/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1COc1ccc(F)c(Cl)c1 32573663 ALRGDWIUGALKOF-NDENLUEZSA-N 457.910 5.405 50 50 JKGA O=C(N/N=C\c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1)Nc1ccccc1 32609508 OCXBMAKGLNJVIN-VYYCAZPPSA-N 464.356 6.061 50 50 JKGA N#CC1=C(N)N(c2ccc(Cl)cc2Cl)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)s1 1108674 BZBZZVMUXBNXAV-SFHVURJKSA-N 495.229 6.122 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@H]2c1ccc(Br)s1 4004583 SGOSKVMTJLDHNF-IBGZPJMESA-N 499.390 5.360 50 50 JKGA CCc1ccc([C@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3Cl)C3=C2C(=O)CCC3)s1 6284246 YQUYWLLEWZZACO-HXUWFJFHSA-N 454.939 5.177 50 50 JKGA Cc1ccc2[nH]c(/C(C#N)=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)nc2c1 8989791 SOFXOPONZNVUGV-WOJGMQOQSA-N 457.364 7.245 50 50 JKGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1 9375183 RSTYTTYYZFVWEX-XODNFHPESA-N 499.785 6.380 50 50 JKGA CCc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccc(C(C)(C)C)cc3)c3cccc(Cl)c3n2)cc1 20572471 CTLGTOHLQSEWLB-APTWKGOFSA-N 484.043 7.569 50 50 JKGA N#CC1=C(S)N[C@](O)(c2ccccc2)[C@H]([n+]2cccc3cc(Cl)ccc32)[C@@H]1c1ccc(F)cc1 33899311 SURHRMXIRQVTFB-SLQPCKNISA-O 488.995 5.358 50 50 JKGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 102294925 AXMIXANUJINQCB-NJZRLIGZSA-N 495.664 5.761 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]4[C@@]34C=C[C@]2(C1)OO4 257350238 VVDFOIZUJIWFEH-QFINSSNESA-N 470.694 7.044 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1)C(N)=C(C#N)[C@H]2c1ccsc1 705422 QUTGSBYBTMUJMW-LJQANCHMSA-N 454.393 5.451 50 50 JKGA CCC/C(=N\NC(=O)c1cc(C2CC2)nc2ccc(Br)cc12)c1ccc(Cl)s1 8454718 OWQBUUKUHGBUKS-KOEQRZSOSA-N 476.827 6.524 50 50 JKGA CCOc1ccc(Br)cc1/C=N/NC(=O)c1sc2cc(OC)ccc2c1Cl 19800631 YQHOEPVOXHWCGZ-LSHDLFTRSA-N 467.772 5.488 50 50 JKGA CCn1c2ccccc2c2cc(/C=N/NC(=O)[C@H]3CC3(c3ccccc3)c3ccccc3)ccc21 1959347 UFGNBYDDHAVPGF-FHMVRKCGSA-N 457.577 6.271 50 50 JKGA O=C(NNc1cccc(Br)c1)C(O)(c1cccc(Cl)c1)c1cccc(Cl)c1 2860558 KAPBGSLTQPPUJA-UHFFFAOYSA-N 466.162 5.135 50 50 JKGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(Br)o2)cc1 4230221 FZBPRWQQEVNEBD-CVKSISIWSA-N 493.361 5.448 50 50 JKGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2cccc3ccccc23)ccc1OC(=O)c1ccc(C)cc1 4260873 SEBYJDTZFAOEFS-PJLCQNFYSA-N 482.536 5.294 50 50 JKGA CCOc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl 13239673 OJCPQMFBZJRZJI-JFLMPSFJSA-N 479.005 5.379 50 50 JKGA N#CC(=C\c1ccc(COc2cccc(C(F)(F)F)c2)o1)/C(O)=N/c1ccccc1[N+](=O)[O-] 20508006 KXPJBLIRAPBXSM-GXDHUFHOSA-N 457.364 5.981 50 50 JKGA C[Si](C)(O[C@@H](c1ccccc1)c1c(Cl)c(Cl)nc(Cl)c1Cl)c1ccccc1 169817585 KAZUCGMSICKNTR-SFHVURJKSA-N 457.260 6.914 50 50 JKGA CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1O[Si](C)(C)C(C)(C)C 195784099 JEDIATUHRBNRLS-GVDBMIGSSA-N 479.774 5.108 50 50 JKGA Cc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 2234183 WUKVGESNYFJJDD-CVKSISIWSA-N 461.978 5.139 50 50 JKGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Br)s3)c3cc(C)ccc3n2)cc1 2754966 IWHQTZXRUKAPDG-VULFUBBASA-N 494.414 6.197 50 50 JKGA O=S(=O)(c1ccc(SSc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1)C(F)(F)F 3163728 BZKUTKHDBUUNIC-UHFFFAOYSA-N 482.470 5.073 50 50 JKGA C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 4303199 OLRCCUGOKGMGPK-HEOQCTJZSA-N 487.781 5.599 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@H]2c1cc(Br)cs1 8856272 FWKRXCGEVKPTKA-IBGZPJMESA-N 499.390 5.360 50 50 JKGA COc1cccc(SC(Sc2cccc(OC)c2)=C(C#N)NC(=O)c2ccc(C)cc2)c1 334162307 MAEQHCSFKJJQJD-UHFFFAOYSA-N 462.596 6.019 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Cl)cc3)n2-c2ccccc2)cc1 2276601 UNTXTWXYJZZYBP-CVKSISIWSA-N 461.978 5.139 50 50 JKGA CCOc1ccccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 2542834 OUQICMAKZSTLMP-MZJWZYIUSA-N 487.339 5.384 50 50 JKGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1 2699899 ORCIWDYMILRLCI-VULFUBBASA-N 482.396 5.484 50 50 JKGA O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 3143851 HNEUPRSHTRZVBQ-VUTHCHCSSA-N 450.494 5.102 50 50 JKGA C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 3162162 XZIRETCFMPCIMB-ZEXXOWEESA-N 480.564 5.762 50 50 JKGA Cc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1C 4287309 BEKXCFZESPAYLJ-AFUMVMLFSA-N 451.320 5.049 50 50 JKGA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 4302512 VVHFNJYBSRTLSR-HWDKICEFSA-N 491.758 5.784 50 50 JKGA COc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc(/C=N/NC(=O)c3cccnc3)cc2)cc1 13590221 MDMKDMDMGVTKQP-RYBVODPGSA-N 475.552 5.210 50 50 JKGA COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccc(C#N)cc1 20344391 BDEBYYRFCWGUTG-YDZHTSKRSA-N 451.526 5.617 50 50 JKGA O=C(N[C@H](C(Cl)(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1)c1ccc(F)cc1 1738783 KOFLBOVUVGODFO-FQEVSTJZSA-N 470.695 5.266 50 50 JKGA C=CCc1ccccc1OCC(=O)N/N=C/c1c(OC(=O)c2ccc(OC)cc2)ccc2ccccc12 2531108 HDRRLTDYCOSBBS-ZCTHSVRISA-N 494.547 5.325 50 50 JKGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1 2530376 ZYBWOSMZMPABNM-CCVNUDIWSA-N 492.366 5.243 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc(C(C)C)cc2)c1 2531561 IHKUHBVWWWTJEJ-FDAWAROLSA-N 480.564 6.020 50 50 JKGA CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 2553503 QWFMTDGKKFEZOG-OGLMXYFKSA-N 466.965 5.870 50 50 JKGA CC(/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)=C\c1ccccc1 5352358 MOWYVQVZQGKRBU-HIHYPLCCSA-N 475.017 6.036 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1)c1ccc2ccccc2c1 9331845 AAZVTMOFGMQUBP-NJZRLIGZSA-N 474.564 6.271 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])s1 12402352 QCILEWVTPCXCPN-LJQANCHMSA-N 488.491 5.616 50 50 JKGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccccc3Br)nc3ccccc32)cc1 13205495 WRMOLWQICOWPHN-VULFUBBASA-N 493.430 5.398 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCCC3)C(N)=C(C#N)[C@@H]2c1ccsc1 2188817 YUCLAZCCPCNVLQ-QFIPXVFZSA-N 474.655 5.891 50 50 JKGA O=C(N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1cccc(Br)c1 4230148 PDAXSMGIDVMMGW-RWPZCVJISA-N 477.333 6.084 50 50 JKGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 4261188 LVHHZBBXJADDRI-NDZAJKAJSA-N 464.521 5.317 50 50 JKGA O=C(Oc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1)c1ccccc1F 4282815 MJONMSINEYKWON-LGJNPRDNSA-N 452.894 5.677 50 50 JKGA CCn1c(/C(C#N)=C/c2ccc(OCc3c(F)cccc3Cl)c(OC)c2)nc2ccccc21 6144043 WWUKHXRNUVVBRO-QGOAFFKASA-N 461.924 6.500 50 50 JKGA CCCCOc1ccc(/C=N/NC(=O)CCCCC(=O)N/N=C/c2ccc(OCCCC)cc2)cc1 19913010 GSVKRPDNJFMISN-VFIVCBTMSA-N 494.636 5.205 50 50 JKGA Cc1ccc(SC(Sc2ccc(C)cc2)=C(C#N)NC(=O)Cc2cccc3ccccc23)cc1 238937236 UPCNPHFWCGKMKF-UHFFFAOYSA-N 480.658 7.393 50 50 JKGA CCCCc1ccc(OCC(=O)N/N=C/c2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 2531072 XBFWVAHIKSMKEY-UZWMFBFFSA-N 494.591 6.239 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2cccc(Cl)c2)c1 2531941 TWSVHTILLBFEGE-MUFRIFMGSA-N 472.928 5.550 50 50 JKGA N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)S(=O)(=O)c1ccccc1 2840710 ZDHOYNSFUFSIEG-HAHDFKILSA-N 451.507 5.624 50 50 JKGA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 4261096 QJIDGFWPGDARNP-HWDKICEFSA-N 491.758 5.784 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OCC)cc3)cc2OCC)cc1 4302662 VWKXHRLTUNWCNP-VUTHCHCSSA-N 490.556 5.256 50 50 JKGA Cc1ccc2[nH]c(/C(C#N)=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)nc2c1 16383929 YGDYHSZSPLTBBB-WQRHYEAKSA-N 489.329 6.185 50 50 JKGA CCCc1n[nH]c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OCC)c1)C(C#N)=C(N)O2 32576824 GDTDFWMBXVWINC-QFIPXVFZSA-N 464.953 5.211 50 50 JKGA O=C1c2ccccc2[C@@H](c2c(-c3ccc(Br)cc3)[nH]c3ccccc23)N1CCCl 334163438 SCTSTSHCVNNGBW-QHCPKHFHSA-N 465.778 6.381 50 50 JKGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OCCCCCCBr)ccc32)c1 1848444208 WHTZPPYYDDGZPD-QFIPXVFZSA-N 457.368 5.247 50 50 JKGA O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H](Br)[C@H](Br)c1ccccc1 2173083 GIKYIDFHENAVFO-KGLIPLIRSA-N 451.973 5.832 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](Br)C[C@]4(C)[C@@H]3CC[C@]12C 257348806 IZWHBFBYKQEQAB-DDRXTZCESA-N 467.576 7.842 50 50 JKGA CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2ccc(C)c(Cl)c2)C2=C1C(=O)CC(C)(C)C2 2381723 RJJMOYFAYWPNEW-OAQYLSRUSA-N 484.090 6.763 50 50 JKGA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2584809 QJIDGFWPGDARNP-ZKJHFGPLSA-N 491.758 5.784 50 50 JKGA O=C1c2ccccc2[C@H](c2c(-c3ccc(Br)cc3)[nH]c3ccccc23)N1CCCl 334163437 SCTSTSHCVNNGBW-HSZRJFAPSA-N 465.778 6.381 50 50 JKGA CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c1OCc1ccc(Cl)cc1Cl 1472232 MWMRLMBVJPJVSX-HXUWFJFHSA-N 471.344 5.221 50 50 JKGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1Cl 2553689 FTXXTFYWUZWMPI-XODNFHPESA-N 496.329 5.074 50 50 JKGA Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(C(=O)O)cc1 2783135 WQCMDUBFZYCGMI-WOJGMQOQSA-N 464.319 5.101 50 50 JKGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)c1 4258772 VMGZOWCSIVSZDJ-MZJWZYIUSA-N 491.956 5.171 50 50 JKGA C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 20158631 SNPMBPCQDATJKU-QFDQHJFZSA-N 488.363 5.093 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 4292675 LLBGAWDOUYTIAK-RDRPBHBLSA-N 480.992 6.261 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2Cl)=C(C#N)[C@@H]1c1ccc(F)cc1 16676283 OAWOYNSYNDUHDG-QFIPXVFZSA-N 475.372 6.034 50 50 JKGA C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)c(C)c1 16713598 LDCIKTCKAIMHLF-HEHNFIMWSA-N 474.589 7.086 50 50 JKGA COc1cccc(-c2n[nH]c3c2[C@@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)c1 20418643 PBYWIABEISHUDP-DEOSSOPVSA-N 464.525 5.191 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 25782240 CLEDBSHUOYLHCH-OAQYLSRUSA-N 482.462 5.554 50 50 JKGA BrCc1ccnc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1 97446419 GHUHGSWXTMYGDQ-UHFFFAOYSA-N 454.371 6.166 50 50 JKGA Cc1ccccc1[C@@H]1C(C#N)=C2NC(=O)c3c(sc4c3CCCCC4)N2C2=C1C(=O)CC(C)(C)C2 2185998 UDYTYKJWMGYDSI-HSZRJFAPSA-N 483.637 6.051 50 50 JKGA aggregator N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(COc3ccc(Br)cc3)o2)[C@H]2CCCC=C12 2768788 SPHGNSHLTCOGPQ-UGKGYDQZSA-N 475.346 5.215 50 50 JKGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)c1 4258696 RFHDABLEBXPMII-MZJWZYIUSA-N 491.956 5.171 50 50 JKGA FC(F)(F)c1ccc2c(c1)N(CCCN1CCN(CCCl)CC1)c1ccccc1S2 19808986 WHVNGICQKYBDDP-UHFFFAOYSA-N 455.977 5.555 50 50 JKGA in-vitro C[C@@H]1C(C#N)=C(SCCn2c(C(C)(C)C)nc3ccccc3c2=O)NC2=C1C(=O)CC(C)(C)C2 108298470 NPQORSFEDOJWMW-MRXNPFEDSA-N 476.646 5.045 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]4[C@@]34CC[C@]2(C1)OO4 257348925 KANYZLRHIUEPFK-QFINSSNESA-N 472.710 7.268 50 50 JKGA O=C(Nc1ccc(Cl)c(Cl)c1)[C@H](Br)[C@H](Br)c1ccccc1 2173086 GIKYIDFHENAVFO-ZIAGYGMSSA-N 451.973 5.832 50 50 JKGA N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc(C(=O)O)cc1 2888629 DNBJCUWLSQPWNP-ODLFYWEKSA-N 452.279 5.930 50 50 JKGA CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C1C(=O)CCC2 9981770 YXOQWNVMJWQWKJ-IBGZPJMESA-N 476.454 6.390 50 50 JKGA N#C/C(=C\c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-] 20533892 LNNXPIMNWPBRJX-QGOAFFKASA-N 490.441 6.162 50 50 JKGA c1ccc(CN(Cc2ccccc2)SSN(Cc2ccccc2)Cc2ccccc2)cc1 33495995 DUNYWFDDGBFCJT-UHFFFAOYSA-N 456.680 7.603 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3OCC)[nH]n2)cc1 102302017 HULXAISDVSTDPG-VFCFBJKWSA-N 462.594 5.979 50 50 JKGA O=C(Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 239174211 PNNNISKKHJTMNW-DJQNJWNESA-N 497.172 5.295 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](Br)C[C@]4(C)[C@@H]3CC[C@@]12C 257347302 DHZKAQAKUFROMZ-NGKRUMITSA-N 465.560 8.050 50 50 JKGA C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4260380 RELRENDEKYCWLH-SVMUSQEWSA-N 456.473 5.116 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2)s1)c1ccc(-c2ccccc2)cc1 8757580 SLCQNYIKDDYYPI-NLRVBDNBSA-N 490.679 6.130 50 50 JKGA CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCC(C)C 20168612 MHKVAYSMONNNIU-RQZCQDPDSA-N 475.010 6.282 50 50 JKGA N#CC(C#N)=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)C2CC2)N2c3ccccc3C=C[C@H]12 239433607 YCTYCODSHQCPSX-GEIIOTBESA-N 467.572 6.151 50 50 JKGA N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)Nc1ccccc1Cl 1211919 UVKNLAHRQGZEIK-NBVRZTHBSA-N 454.917 5.479 50 50 JKGA CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C1C(=O)CC(C)(C)C2 2480044 DGJKBFULHFPUQG-HXUWFJFHSA-N 480.615 5.709 50 50 JKGA O=C(NN(c1ccccc1)c1ccccc1)c1cccc(C(=O)NN(c2ccccc2)c2ccccc2)c1 2752540 KLHRLZCMTYHRSO-UHFFFAOYSA-N 498.586 6.653 50 50 JKGA CN1C(=O)[C@]2(C(C#N)=C(n3cccc3)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 12402247 BSZFXUSHBVEHEO-PMERELPUSA-N 492.554 5.397 50 50 JKGA O=C(NNC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)Nc1ccccc1 659462 RGBGXPAVLXGXON-UHFFFAOYSA-N 451.313 5.675 50 50 JKGA aggregator O=C(COc1cccc2ccccc12)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2521668 NYOLNYMCFOSIJB-LQKURTRISA-N 458.901 5.242 50 50 JKGA O=C(CC(=O)N/N=C/c1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(-c2ccccc2)cc1 20530356 YYKSKHJNURPXTD-OQIGUVFWSA-N 460.537 5.011 50 50 JKGA CCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100013308 HXWNEEZPMZTSBJ-UHFFFAOYSA-N 459.678 8.682 50 50 JKGA in-vitro C=CC[C@H]1[C@H]2[C@@H](C[C@@H](OCOC)[C@]1(O)C1=C[C@H](O[Si](C)(C)C(C)(C)C)C[C@]1(C=C)OC)C2(C)C 169834786 BRNPFHNDEQSSGY-LOJGTKRFSA-N 492.773 5.867 50 50 JKGA CC[C@H](Nc1ccc(OC)cc1)C(=O)NN=Cc1ccccc1OCc1ccc(Br)cc1 252428180 SJWCDPXAOGWNPI-QHCPKHFHSA-N 496.405 5.378 50 50 JKGA C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 2325809489 AWZYCGGQMKANKR-SCELWYEFSA-N 469.404 5.659 50 50 JKGA Cc1ccc(Cl)cc1N1C(N)=C(C#N)[C@@H](c2ccc(Br)s2)C2=C1CCCC2=O 1112013 YUBAXIPCSNQBQT-IBGZPJMESA-N 474.811 5.777 50 50 JKGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1[N+](=O)[O-] 2054831 FQKXLHZSNPFIST-MZJWZYIUSA-N 464.566 5.627 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(N)=C(C#N)[C@@H]2c1ccsc1 2380195 WSWMGFYTLDHSBU-NRFANRHFSA-N 460.628 5.501 50 50 JKGA CC(C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 4229936 JXSPDTYOCDRVSL-JFLMPSFJSA-N 495.373 5.321 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2Cl)=C(C#N)[C@@H]1c1ccccc1Cl 4642241 SHVOVLHNAPVRKI-QFIPXVFZSA-N 491.827 6.548 50 50 JKGA CCc1cccc(OCC(=O)NN=Cc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)c1 238950197 XAGIBBDWEOAXJN-UHFFFAOYSA-N 487.383 5.673 50 50 JKGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1 9375281 IZPVCKBJEVWOMT-XODNFHPESA-N 499.785 6.380 50 50 JKGA O=C(CCCCCCCCC(=O)N/N=C/C=C/c1ccccc1)N/N=C/C=C\c1ccccc1 19908335 IBOICUQGFBVZEM-HNHUYJFKSA-N 458.606 5.738 50 50 JKGA C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)c2ccccc2F)cc1 20158161 BZSJFWUEJRUYCV-UXHLAJHPSA-N 461.537 5.295 50 50 JKGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccccc1O 2351164 YAZVDTPNWCDZCZ-LGJNPRDNSA-N 498.395 5.189 50 50 JKGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 2542545 YNLGHHARJYPDPZ-RPPGKUMJSA-N 463.748 5.755 50 50 JKGA O=C(Cc1cccc2ccccc12)N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12 2553498 CIZPZTKSKCSODY-BIZUNTBRSA-N 492.962 6.558 50 50 JKGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccccc1F 20176036 KGKZZKFMLAWUQC-XMMPIXPASA-N 482.515 5.412 50 50 JKGA COc1ccc(OC)c(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)c1 20228933 XLWCWHNPZFMPLG-KGENOOAVSA-N 498.970 5.815 50 50 JKGA CC(=O)c1ccc(NC(=S)NNC(=O)c2ccc(COc3cc(C)ccc3C(C)C)o2)cc1 20357288 DCXVIXGEVMCBPP-UHFFFAOYSA-N 465.575 5.124 50 50 JKGA CSc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 2330607 XPDXMCATTUREIH-CVKSISIWSA-N 494.045 5.552 50 50 JKGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3OCc3ccccc3)cc2)c1 2543062 ZCVUDEDLWPRUIJ-NDZAJKAJSA-N 464.521 5.557 50 50 JKGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1ccc(OCc2ccccc2)cc1 4209957 PWFOPKPYHSDTMR-CCVNUDIWSA-N 477.973 5.014 50 50 JKGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(F)cc1F 994546 XEANWRHJNBIMHI-QHCPKHFHSA-N 466.484 5.003 50 50 JKGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1ccc(-c2ccccc2)cc1 2698911 YSRMTPMLDMWXJI-MFKUBSTISA-N 476.652 5.740 50 50 JKGA N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 8455959 HCZYBRQCTZQMDF-RXFWQSSRSA-N 462.509 5.293 50 50 JKGA O=C(NNC(=S)Nc1ccccc1Cl)c1ccc(COc2ccc3ccccc3c2)o1 20534215 PIXLRNRQBIAZFR-UHFFFAOYSA-N 451.935 5.297 50 50 JKGA Clc1cc(Cl)c2c3c1[C@H](Cl)[C@H](Cl)c1c(Cl)cc(Cl)c(c1-3)[C@H](Cl)[C@@H]2Cl 100480811 HLOGUCPTNQWBOD-SYMSYNOKSA-N 481.848 9.114 50 50 JKGA Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C(\C#N)C(=O)Nc1cnccc1C(F)(F)F 1875389293 IWERRJNASPKQLR-KPKJPENVSA-N 499.802 5.812 50 50 JKGA N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)NCc1ccccc1 1449176 VFKCKJIINIMTPV-RCCKNPSSSA-N 483.369 5.525 50 50 JKGA C=CCc1ccccc1OCC(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 2544023 OANAWVUUEPSTEB-RWPZCVJISA-N 483.351 5.470 50 50 JKGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccc(C)c2)cc1OC 2544367 BOIJEIXDHPODNG-STBIYBPSSA-N 468.509 5.149 50 50 JKGA Cc1ccc(Cl)cc1N1C(N)=C(C#N)[C@H](c2ccc([N+](=O)[O-])s2)C2=C1CC(C)(C)CC2=O 12462355 JZTHHHMCEVAGPF-HXUWFJFHSA-N 468.966 5.559 50 50 JKGA CC/C(=N\NC(=O)c1cc(-c2ccc(OC(C)C)cc2)nc2ccccc12)c1cc(O)ccc1O 13321429 IREHLTJMXCEAHI-BGABXYSRSA-N 469.541 5.644 50 50 JKGA C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 4296177 KPXCCGBXDSQOCH-HRJIBFCWSA-N 458.945 5.990 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1ccc(Cl)cc1 5350770 PZNBBHPFWWDYIT-MTDXEUNCSA-N 463.006 5.679 50 50 JKGA C=CCOc1c(I)cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)cc1OC 16383897 OFWJWIFMLHPTNW-OQLLNIDSSA-N 471.298 5.114 50 50 JKGA CC(=O)c1cccc(NC(=O)NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3c(C)cccc23)c1 1121777 BKMJQOGJMCJCES-UHFFFAOYSA-N 472.932 5.533 50 50 JKGA CCc1ccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)cc1 2543300 WDQWLPMZCSUPLM-OCSSWDANSA-N 499.954 5.364 50 50 JKGA COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)ccc1OCc1ccc(Br)cc1 225347245 HKLUFKGORBVYLG-GBPAOJJTSA-N 471.395 5.313 50 50 JKGA Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccc(Cl)c(Cl)c3)s2)cc1 1832014 YORDJRVCYKGLOT-LSFURLLWSA-N 483.471 5.688 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(Br)cc2)cc1 2544335 SOZOVALZXHYTDV-LQKURTRISA-N 487.353 5.894 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2584839 MVIPGEFIGBWEQU-LGJNPRDNSA-N 457.313 5.294 50 50 JKGA O=C(N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc([N+](=O)[O-])cc1 2901238 VDKFAHJVGUOBPT-DHRITJCHSA-N 479.901 5.446 50 50 JKGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccccc3OCc3ccccc3)cc2)cc1 4360609 HENCEYKFAGFFKE-NDZAJKAJSA-N 450.538 5.917 50 50 JKGA CCOc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1O 5403031 QYDIXJMIXIPSMV-MZJWZYIUSA-N 495.004 5.085 50 50 JKGA Cc1c(Cl)ccc2c1NC(=O)/C2=N\NC(=O)c1sc2cccc(Br)c2c1Cl 20295571 VNGPCVOTQAQRKI-UHFFFAOYSA-N 483.174 5.365 50 50 JKGA Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2sc3ccccc3c2Cl)c1 25584241 VLRFLBGZZWQHIM-RWPZCVJISA-N 470.985 6.480 50 50 JKGA C=C(C)CSC1=C(C#N)[C@H](c2ccccc2Cl)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 226242289 CPOUODXMDAHBPD-WAOWUJCRSA-N 498.979 5.883 50 50 JKGA Cc1ccccc1N[C@@H](C)C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1 245238216 GLMVTVQTPRBKPQ-SFHVURJKSA-N 466.379 5.287 50 50 JKGA COc1cc(CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc2c1OCO2 1848444141 PTOMUFSYJRPXIW-UHFFFAOYSA-N 455.514 5.351 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccc1 2530558 QFOVDLWVVSYFRU-VULFUBBASA-N 457.313 5.375 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 2531602 USWXFLQYKPYJKG-WMMCOQJOSA-N 486.955 5.938 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1 2543172 VYVMSKKHSGHRBJ-HJHSVFMCSA-N 497.507 5.193 50 50 JKGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4209747 QPJYAIDZAZRTDP-RPPGKUMJSA-N 477.731 5.395 50 50 JKGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1 2543322 BOYUEMHYXDJPOG-WKULSOCRSA-N 493.346 6.138 50 50 JKGA CC(C)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(C(F)(F)F)c3)=C2C#N)cc1 8973271 BZYIENVRAAGUSA-LJQANCHMSA-N 473.520 5.539 50 50 JKGA CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@]3(C)CC[C@H]3C(C)(C)C(=O)OC(=O)C[C@@]34C)[C@@H]12 257348400 FGIQVZRHSAAMRL-BTZIAYEOSA-N 456.711 7.424 50 50 JKGA O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2ccc(F)c(Cl)c2)o1 827860940 TXOHROMVLLFVGH-IPPBACCNSA-N 473.891 5.358 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)c(F)c2)cc1 1775975041 BTPAFEWZJAUNFE-XMMPIXPASA-N 462.452 5.191 50 50 JKGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c(OC)c1C 2089647 HSARUPFCMBLXSG-RWPZCVJISA-N 459.933 5.645 50 50 JKGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)N2c3c(cccc31)[C@](C)(c1ccccc1)CC2(C)C 2349732 ZWZLNBODSFVKLN-IOWSJCHKSA-N 493.607 5.127 50 50 JKGA C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2530481 UZNGFMMZELPNJH-HEOQCTJZSA-N 487.781 5.599 50 50 JKGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1cccc(Br)c1 2584735 SGZMOWHATPVVEX-ZMOGYAJESA-N 457.711 5.086 50 50 JKGA Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccccc2)cc1 4230008 VTEHKOUUTQMNEN-AQQMUFCHSA-N 463.331 5.140 50 50 JKGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 4282355 OEDGRFAMIISQJO-NKZWWHGNSA-N 471.340 5.439 50 50 JKGA CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccccc1C#N 16448183 GAIKRZURJOOANY-JJFYIABZSA-N 458.901 5.952 50 50 JKGA CCOc1cc(/C=C(\C#N)C(=O)Nc2sc(C(C)C)cc2C(=O)OC)cc(Br)c1O 20175509 RHEKSQLHNKTCPF-AWNIVKPZSA-N 493.379 5.071 50 50 JKGA CCCCCCCCCCCCCC(=O)N/N=C/c1ccccc1OCc1ccc(C(=O)OC)cc1 102316969 JUXRBMKOAPFSSW-UQRQXUALSA-N 494.676 7.203 50 50 JKGA Cc1cc([C@H]2C(C#N)=C(N)N(c3cccc(Br)c3)C3=C2C(=O)CCC3)c(C)s1 2501758 BVNFRYQRJZISEY-FQEVSTJZSA-N 454.393 5.432 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2OCC)cc1 2553611 YXVAUTCWKUTFRA-NDZAJKAJSA-N 482.536 5.620 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc(Cl)cc1 9272168 GEVYKQHGNSBCCS-WSDLNYQXSA-N 483.471 5.770 50 50 JKGA C/C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=N\N=C\C=C\c1ccccc1[N+](=O)[O-] 101131731 YNHNLDXDIPITBQ-GPPWRQFFSA-N 492.539 6.049 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3sccc3C)nnc2-c2ccc(Cl)cc2)cc1 2346169 RVSJRYKDCLNJOM-DHRITJCHSA-N 482.034 5.508 50 50 JKGA C/C(=N\NC(=O)CCC(=O)N/N=C(\C)c1ccc2ccccc2c1)c1ccc2ccccc2c1 12343115 TWLYCZPONZGVDO-CZYCKNNWSA-N 450.542 5.154 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(-c3ccccc3)cc2)=C(C#N)[C@H]1c1ccco1 16676292 XKDJDMVZTZGWMF-SANMLTNESA-N 454.551 5.848 50 50 JKGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2ccccc2OCc2ccccc2)n[nH]1 16972436 AJJWGBZVCIYWIS-STBIYBPSSA-N 462.509 5.278 50 50 JKGA COc1cccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccco2)C3)c1OCc1ccc(F)cc1 718365 DHULOXQTPVNLCX-NSYGIPOTSA-N 486.499 5.215 50 50 JKGA aggregator N#C/C(=C\c1c(Cl)cccc1Cl)c1ccc(/C(C#N)=C/c2c(Cl)cccc2Cl)cc1 2549192 UBWXHPZAORHBHO-JYFOCSDGSA-N 470.186 8.429 50 50 JKGA C[C@H]([C]1[CH][CH][CH][C]1P(C1CCCCC1)C1CCCCC1)P(c1ccccc1)c1ccccc1 100032585 CEZWURVNWRUWOG-RUZDIDTESA-N 473.601 8.388 50 50 JKGA O=C(COc1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 2391607 FGYYCBLNXKXJLX-UVHMKAGCSA-N 499.375 5.956 50 50 JKGA COc1cc(/C=N/NC(=O)COc2cccc3ccccc23)ccc1OC(=O)c1ccccc1Cl 2566876 VQVGZVXTHFYMLB-MUFRIFMGSA-N 488.927 5.250 50 50 JKGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl 8636717 QURJKDRODZSHRM-VULFUBBASA-N 482.396 5.484 50 50 JKGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(Oc2ccccc2)c1 102294714 TWWZMAGHNKRLHK-XHLNEMQHSA-N 451.611 5.966 50 50 JKGA COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)[C@@H](Br)[C@]12C 257348978 KLRIHFBNZZHISJ-HVOICWSASA-N 483.487 5.699 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)cc(C)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1 1113092 HADGMNCUVXPYGG-XMMPIXPASA-N 466.006 5.614 50 50 JKGA Br[C@H]1C[C@@]23C=C[C@]2(C[C@H](Br)[C@H](Br)C3)C[C@H]1Br 254799202 ZWHWSQOPWQCLCG-QLARDWTMSA-N 477.860 5.171 50 50 JKGA CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2c(F)cccc2F)C2=C1C(=O)CC(C)(C)C2 2520944 XAIKLYHUIABGMI-LJQANCHMSA-N 471.598 6.079 50 50 JKGA Cc1cccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)c1 2544078 NHDZVIXPUADYPC-DHRITJCHSA-N 471.738 5.394 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1)c1ccc(Br)cc1 5297211 KEMJAWCBYRTOKO-VULFUBBASA-N 459.347 5.245 50 50 JKGA C/C(=N\NC(=O)c1sc2cccc(Cl)c2c1Cl)c1ccc(NC(=O)c2ccoc2C)cc1 8456150 NGQKQOZASFHZSM-KKMKTNMSSA-N 486.380 6.516 50 50 JKGA N#CC1=C(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)NC(=O)C[C@@H]1c1ccc(F)cc1 9236600 NLNGZDUOIIOUMT-JOCHJYFZSA-N 473.529 5.329 50 50 JKGA COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3c(O)ccc4ccccc34)c3ccccc32)c1 13321949 KNTSDMCFBKHXCI-OKCVXOCRSA-N 477.520 5.099 50 50 JKGA CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C1C(=O)CCC2 2520954 SVXXCVKJPKYLQL-LJQANCHMSA-N 476.454 6.472 50 50 JKGA Sc1oc(-c2ccccc2Cl)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97976885 KUVQIVMJLZBMKG-UHFFFAOYSA-O 472.957 5.903 50 50 JKGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(OCc2ccccc2)c1 102280344 YSLQFLSIFNMGCU-AWSUPERCSA-N 493.692 6.533 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](I)CC[C@]4(C)[C@@H]3CC[C@]12C 255004127 PMVJGSYGUZXDAR-RACBGXLOSA-N 496.561 8.831 50 50 JKGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(-c2c(Cl)cc(Cl)cc2Cl)o1 625578 WKLGQHRLNBWHNV-QGZVFWFLSA-N 453.709 5.552 50 50 JKGA O=C(Cc1ccccc1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl 2552818 ZWLSXZQEONSMSH-AFUMVMLFSA-N 471.738 5.015 50 50 JKGA O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 4372707 ZKBWOYYSLOVNAC-NDZAJKAJSA-N 480.520 5.014 50 50 JKGA COc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1 9331678 JBUHRGRLTMWKFS-RUZDIDTESA-N 488.609 5.385 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])s1 12402308 DDDWYNVCTBVKAX-IBGZPJMESA-N 454.939 5.251 50 50 JKGA Cc1ccc(C2=NN(c3ccc(/C=N/NC(=O)c4ccncc4)cc3)[C@@H](c3ccc(Cl)cc3)C2)cc1 16675847 XNLWPDXSNDIEQD-KHCQRQCYSA-N 493.998 6.163 50 50 JKGA CCSc1nc(-c2ccccc2)nc(O)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 96022287 KKDHFMVYANDPLY-UHFFFAOYSA-O 493.592 5.581 50 50 JKGA O=C(N/C(=C\Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 100470404 CHFOKCBDGVOCPC-LHLOQNFPSA-O 477.351 6.102 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCc2ccc(Cl)cc2)N1 754744 FWYPSCHYTBWIEQ-QHCPKHFHSA-N 461.974 6.201 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c1 2531545 DFNFHONSXCXRKZ-WKULSOCRSA-N 477.347 6.438 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2542496 NBCZCHKZPZZPSQ-LQKURTRISA-N 485.367 6.155 50 50 JKGA COc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 2543309 NEBRJRPWBYLFNW-MUFRIFMGSA-N 487.943 5.170 50 50 JKGA CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 2584802 PMRLDQQCUPDXLZ-MZJWZYIUSA-N 487.339 5.140 50 50 JKGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1 3095184 WUNZGYOWUPVQBU-MZJWZYIUSA-N 478.957 5.611 50 50 JKGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 4302488 XTWUHHTUKQHKPO-OGLMXYFKSA-N 466.965 5.627 50 50 JKGA COc1ccc(-c2csc(/C(C#N)=C/c3cc4cc(Br)ccc4nc3Cl)n2)cc1 16511616 JTPDYALUJWQVQP-CXUHLZMHSA-N 482.790 6.847 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC([N+](=O)[O-])=C4C[C@@H](Cl)CC[C@]4(C)[C@@H]3CC[C@]12C 254744431 AARKHEFUGCKAGW-PYQWUGHRSA-N 450.107 8.240 50 50 JKGA Cc1cccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)c1 4330747 CPZVELMYWNORMQ-MUFRIFMGSA-N 485.927 5.110 50 50 JKGA CCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 4372613 HLDGRJBNUPDUDN-JVWAILMASA-N 450.922 5.041 50 50 JKGA Cc1ccc(N2C3=C(C(=O)CCC3)[C@H](c3cccs3)C(C#N)=C2n2cccc2)c([N+](=O)[O-])c1 12447364 ZKKXABFLNZRQHU-QHCPKHFHSA-N 456.527 5.770 50 50 JKGA O=P(Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1)(c1ccccc1)c1ccccc1 100010553 MZRARJFFURJVLQ-UHFFFAOYSA-N 477.519 7.432 50 50 JKGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(COc2cccc(C(F)(F)F)c2)o1 648667 WEQDSANWCKHYET-FQEVSTJZSA-N 458.436 5.328 50 50 JKGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1cccc(C(F)(F)F)c1 649434 OZTSHELWPXHIJW-HSZRJFAPSA-N 498.501 5.744 50 50 JKGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 2542553 PQYATIYFZOKYCB-QNZJSASUSA-N 469.324 5.141 50 50 JKGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Br)s3)c3ccccc3n2)c(OC)c1 2801148 NLSNKOBQSZWEII-DHRITJCHSA-N 496.386 5.507 50 50 JKGA N#CC1=C(n2cccc2)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@@H]1c1cccs1 12375406 ATCAGQRYIVEIBI-QFIPXVFZSA-N 465.500 6.572 50 50 JKGA O=C(CSCc1ccc(F)cc1Cl)NNC(=S)Nc1ccc(Cl)cc1Cl 20435998 MMKRXZOFCQAHAR-UHFFFAOYSA-N 452.791 5.037 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 20457926 JOQTUYAPJZTTOF-JOCHJYFZSA-N 489.362 6.181 50 50 JKGA COCCOCO[C@@H]1C=C2CC[C@H]3C=CC(=O)C(C)(C)[C@@]2(CC1)[C@@H]3O[Si](C)(C)C(C)(C)C 169829649 KHYJJZUWANIJMG-UAHYIAQRSA-N 464.719 5.664 50 50 JKGA COCO[C@H]1[C@H](C)C[C@@]23CCCC[C@@H](C[C@H](C#N)[C@H]4O[C@@H](OC)O[C@]142)[C@@H]3O[Si](C)(C)C(C)(C)C 169831087 PNVFTWSZFBATNB-DGYVTUNSSA-N 495.733 5.210 50 50 JKGA CC(C)OC1=C(OC(C)C)[C@@]2(O)C3=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3[C@@H]3CCC[C@@]32C1=O 169834813 CECSOSIKHNLZTA-LEWVKSMISA-N 462.703 5.499 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2OCC)cc1 2553761 WGCCQPZOULGTNN-JVWAILMASA-N 466.921 5.121 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C(C)C)cc3)cc2)cc1 4261094 JHXPDLHAKZOWLG-RDRPBHBLSA-N 474.557 5.347 50 50 JKGA O=C(N/N=C/c1cccc2ccccc12)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)[nH]n1 9374534 JVFLAYVPPUVJTD-OCSSWDANSA-N 480.955 6.226 50 50 JKGA CCOc1ccc(-c2csc(/C(C#N)=C/c3cc4cc(Br)ccc4nc3Cl)n2)cc1 16511783 QSOVBMJOCPZBLO-LICLKQGHSA-N 496.817 7.237 50 50 JKGA CCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(C)cc2)c(OC)c1 102290047 WQODSGXJAVCZFW-UQRQXUALSA-N 494.676 7.374 50 50 JKGA C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 227017569 MDEVGSRYRLSVOE-QBNXAGJISA-N 465.553 5.193 50 50 JKGA O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1cccc(Cl)c1 1753068 ADGWPLZGNRDFNJ-ZVBGSRNCSA-N 469.444 5.380 50 50 JKGA O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)N/N=C/c1ccccc1O 1808788 YBKUIQMGHGOCIQ-NJZRLIGZSA-N 459.549 6.221 50 50 JKGA CC(C)(C)c1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccco3)n2-c2ccccc2)cc1 2276385 LKQMEKAAQKIWPY-SUOQOJQUSA-N 485.613 5.732 50 50 JKGA COc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1OC 2542566 JAKPZLVBAQPCQO-MZJWZYIUSA-N 494.956 5.555 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 4283289 UVACXFUZGRGASB-VULFUBBASA-N 457.313 5.375 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2cc(Cl)ccc2Cl)=C(C#N)[C@@H]1c1ccccc1 9600700 ATECWYFPVAMOQF-QFIPXVFZSA-N 457.382 5.894 50 50 JKGA CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](C)Sc2nc3ccccc3s2)cc1OC 20175446 IEJVSZSYCXXCHO-VTGBELTLSA-N 494.436 5.097 50 50 JKGA COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl 20394650 LNFCRPRLWQUBNV-WOJGMQOQSA-N 495.362 6.384 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(Cl)cc3)[nH]n2)cc1 33358652 AZWIWJLDJFEAQA-TURZUDJPSA-N 467.013 6.623 50 50 JKGA COc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 16195568 SZCMKUYEZDJDNM-JMIUGGIZSA-N 490.313 5.881 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3Cl)[nH]n2)cc1 102302559 XTVFAGDJEAATMA-OVVQPSECSA-N 452.986 6.233 50 50 JKGA N#C/C(=C\c1cnn(-c2cccc(C(F)(F)F)c2)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1875389789 GKYJPTMLZULRRT-AWNIVKPZSA-N 484.787 6.109 50 50 JKGA O=C(N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12)c1ccccc1Cl 2553271 NAMRGLGHGMFPPW-RWPZCVJISA-N 463.320 6.130 50 50 JKGA CCCc1n[nH]c2c1[C@H](c1cccc(OCc3c(Cl)cccc3Cl)c1)C(C#N)=C(N)O2 622979 FFSCDFFCXGSEHT-HXUWFJFHSA-N 455.345 5.466 50 50 JKGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(C)cc(COc2ccc(Cl)cc2C)c1C 1111360 DKUAPTMWDRPSDN-HSZRJFAPSA-N 452.938 5.099 50 50 JKGA Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc1 2531551 PMOYSDPOGLVGLC-AFUMVMLFSA-N 451.320 5.049 50 50 JKGA C/C(=N\NC(=O)c1csc2ccccc12)c1cccc(NC(=O)c2ccc(Cl)s2)c1 8456060 BHPFXVYLXYLGBK-DHRITJCHSA-N 453.976 6.023 50 50 JKGA CCCCCCCC[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCl)CC[C@]4(C)[C@H]3CC[C@]12C 1857525047 QEAJZMPKEHYDQO-LPQRXQMSSA-N 463.146 8.467 50 50 JKGA O=C(COc1ccc2ccccc2c1)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2584787 MLTFKNCJWYDODP-LQKURTRISA-N 458.901 5.242 50 50 JKGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3cc4ccc(C)cc4nc3Cl)cc2)cc1 4231952 NVVXNHNPEMLXKA-JFLMPSFJSA-N 492.988 5.070 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3cccc4ccccc34)cc2)cc1 4259848 MUVBVXZYCXQHEO-NIKULWCKSA-N 496.563 5.765 50 50 JKGA CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2ccccc2Cl)C2=C1C(=O)CC(C)(C)C2 9981880 SUMXDXWIWYWVRV-FQEVSTJZSA-N 470.063 6.373 50 50 JKGA N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1nc2ccccc2[nH]1 15821431 VANQQWDOSPWJAP-XFXZXTDPSA-N 456.752 6.787 50 50 JKGA Cc1ccc(C(=O)N/C(S)=C(\C#N)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 33354887 HWDMJKTYUWACFL-OHYPFYFLSA-O 479.565 5.341 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCl)CC[C@]4(C)[C@H]3CC[C@]12C 257350372 WUBOZGDSEKAKCR-QZSSRDMWSA-N 465.162 8.258 50 50 JKGA COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 936804 WZPCQORBXHIMAM-LPYMAVHISA-N 453.947 5.574 50 50 JKGA CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2C)sc2c1CCCC2 2829478 AHOHHHHHHXKHEY-XMHGGMMESA-N 491.588 5.896 50 50 JKGA O=C(NNC(=S)NCc1ccc(Cl)cc1)c1ccc(COc2ccc(Cl)cc2Cl)o1 16346622 OHFRNYXTGRTZEK-UHFFFAOYSA-N 484.792 5.128 50 50 JKGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 631242 LRFCFMKSNRHZKI-HSZRJFAPSA-N 454.505 5.129 50 50 JKGA Cc1cccc(C(=O)[C@H](Br)[C@H](c2ccccc2)C2(C)C(=O)c3ccccc3C2=O)c1 3121960 PSSABAHYGLBCDR-FCHUYYIVSA-N 461.355 5.811 50 50 JKGA CCc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 13239608 QZVZETQVICSUCO-JFLMPSFJSA-N 463.006 5.543 50 50 JKGA CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N(C1CCCCC1)C1CCCCC1)[C@H](OC(=O)CCl)C2 104045065 SJOHDHIPPUYCTN-SNYIIPAISA-N 474.107 5.261 50 50 JKGA O=C(N/N=C/[C@@H]1C[C@H]2C[C@H]1[C@@]1(F)C(F)(F)C(F)(F)[C@@]21F)c1sc2ccccc2c1Cl 252320598 CQBOJQYDZLICJW-DNJMHPQTSA-N 466.834 5.627 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2OCC)cc1 2531756 ASYJRLWIXRNFML-NDZAJKAJSA-N 482.536 5.620 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])cc1 2543101 ZUCMPFQYCALQOI-HJHSVFMCSA-N 497.507 5.193 50 50 JKGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc(OCc4ccc(C)cc4)cc3)c2)cc1 2544230 KCCTWKZYGIJQLJ-ZCTHSVRISA-N 494.547 5.566 50 50 JKGA COc1ccc(/C=N/NC(=O)c2csc3ccccc23)cc1COCC(F)(F)C(F)F 2730202 YAFCHBGFJNVFNR-JQAMDZJQSA-N 454.445 5.091 50 50 JKGA CC(C)(C)c1cc(/C=N/NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc(C(C)(C)C)c1O 6143314 NZRBDSHOTOKRTD-VULFUBBASA-N 463.538 5.049 50 50 JKGA CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccco2)C(C#N)=C(SCc2ccccc2)N1 9434213 IRYNRBMHIQPVDZ-QHCPKHFHSA-N 461.974 6.201 50 50 JKGA CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CCC2 9981262 RRASEUPMHHBRMM-NRFANRHFSA-N 470.063 6.381 50 50 JKGA C/C(=N/NC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 13736835 JLZPBUHOFZPQFS-UCMJSZAQSA-N 485.672 6.683 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 102269456 HXPYHGZJZCUWOE-VUTHCHCSSA-N 491.459 7.584 50 50 JKGA Cc1c([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)sc2ccccc12 1446008 HXKXITZSPJSTAR-KOSHJBKYSA-N 454.599 5.180 50 50 JKGA O=C(Oc1ccc2ccccc2c1/C=N/NC(=O)c1cc2ccccc2cc1O)c1ccccc1 2519922 WNRQVXQHENYSAD-UXHLAJHPSA-N 460.489 5.682 50 50 JKGA Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)c1 4230123 IRJVZZVBRYMICB-MZJWZYIUSA-N 491.956 5.171 50 50 JKGA N#C/C(=C\c1ccc(I)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 16671863 NRXONLUVKUODMT-VGOFMYFVSA-N 458.280 5.208 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc([N+](=O)[O-])cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1 16676258 GPRBZUDPUUSHMV-JOCHJYFZSA-N 467.934 5.149 50 50 JKGA COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1COc1ccc(C(C)(C)C)cc1 20468194 LPNHOUDHRFXIPB-HKOYGPOVSA-N 490.603 7.271 50 50 JKGA Cc1ccc(C(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(C)cc2)cc1 169816193 NFWUMTQMZJUFAQ-UHFFFAOYSA-N 470.688 6.077 50 50 JKGA Cc1ccc(Cl)c(NC(=O)/C(C#N)=C/c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2Cl)c1 1875389146 DUIPQSVRVBOKRY-NTEUORMPSA-N 479.289 6.360 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccncc3)c2[C@H]1c1ccc(OCc2c(F)cccc2Cl)cc1 759065 DFOIUQRBINIVAC-NRFANRHFSA-N 473.895 5.061 50 50 JKGA CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 3664682 XGZOARBILMGPGS-AREMUKBSSA-N 454.618 5.782 50 50 JKGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 3672599 RSKXEKMBBJIFPK-IQGLISFBSA-N 456.473 5.206 50 50 JKGA N#CC1=C(n2cccc2)N(c2cccc(Cl)c2)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 12360561 IBPHEHZHXPPYRY-VWLOTQADSA-N 469.928 5.873 50 50 JKGA C/C(=N\NC(=O)c1c(O)ccc2ccccc12)c1cccc(NC(=O)c2ccccc2Cl)c1 13322021 OIJFXCOVMYZIKH-MUFRIFMGSA-N 457.917 5.605 50 50 JKGA COc1ccc(-c2csc(/C(C#N)=C/C=C(\Cl)c3ccc(Br)cc3)n2)cc1OC 22023086 FEMRMXODSJYHCL-BHRSDGNBSA-N 487.806 6.777 50 50 JKGA O=C(N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12)c1ccc(Cl)c(Cl)c1 2543118 GAEMBIMIYBTYRJ-IPPBACCNSA-N 497.765 6.783 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)NCc2ccccc2)N1 12250723 SUMDDOJMGUUYQQ-HHHXNRCGSA-N 494.620 5.071 50 50 JKGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(CSc2nc3ccccc3s2)c(C)s1 12372405 WGCWFSNQOZINNU-IBGZPJMESA-N 469.613 5.213 50 50 JKGA CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C1C(=O)CC(C)(C)C2 4003279 MRWUWECMVVMPTA-FQEVSTJZSA-N 480.615 5.709 50 50 JKGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3cccc4ccccc34)cc2)c1 4293308 WPEGIZLYCSESKO-CJHIPLPSSA-N 452.510 5.285 50 50 JKGA O=C(COc1ccc2ccccc2c1)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 2542487 JJHOIHOQNOUOTK-LQKURTRISA-N 458.901 5.242 50 50 JKGA COC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1ccc(OCc2ccc(F)cc2)c(OC)c1 12402636 KLZLTRWARRKQJU-VWLOTQADSA-N 474.488 5.168 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc3ccccc3c2)=C(C#N)[C@H]1c1ccccc1Cl 19759630 HSQCIXOYBGPPKW-AREMUKBSSA-N 472.997 6.394 50 50 JKGA Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)c(C)c1 20344399 PUHVGZUWVMPVGS-LPYMAVHISA-N 464.487 6.755 50 50 JKGA C/C(=N/NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc(C(C)(C)C)cc1 20572516 GYDWRGPZXSCNAW-MNBJERMJSA-N 455.989 7.007 50 50 JKGA CC(C)CCC[C@H](C)CCOc1cc(CCl)c(OCC[C@H](C)CCCC(C)C)cc1CCl 100652854 PVLQKAUCHQKDLW-PSWAGMNNSA-N 487.596 9.627 50 50 JKGA CC(C)(C)c1ccc([P+](C)(c2ccc(C(C)(C)C)s2)c2ccc(C(C)(C)C)s2)s1 100707338 JTMWNKBIEDJWQZ-UHFFFAOYSA-N 463.738 7.687 50 50 JKGA O=C(Nc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1)Nc1cccc(C(F)(F)F)c1 2173676 QRSYAIFITPHDNI-LGJNPRDNSA-N 471.395 5.022 50 50 JKGA Cc1ccc(-c2c(C(=O)NNC(=S)Nc3ccc4c(C)cc(=O)oc4c3)csc2C)cc1 2853780 NPFRSVFPFBCNRR-UHFFFAOYSA-N 463.584 5.078 50 50 JKGA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 4259613 ROCJOXBNYFAAJL-LFWZTCNZSA-N 463.342 5.192 50 50 JKGA CCCCCCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O 8425456 UTDGSESHXYNHIN-UHFFFAOYSA-N 485.669 5.969 50 50 JKGA O=C(COc1ccccc1Cl)N/N=C/c1cc(Br)ccc1OCc1ccccc1 40912332 MAZINQPCGRXUBB-DHRITJCHSA-N 473.754 5.211 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC)cc1 102266574 BYFSMBOYXRDHPJ-JBASAIQMSA-N 474.649 6.919 50 50 JKGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc2ccc(C)cc2nc1Cl 102295403 LEWQVOHWMKAPTO-OGLMXYFKSA-N 459.034 5.684 50 50 JKGA O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1)N2 229971442 GEQGUCRYYIPLPX-JCTDHXFVSA-N 480.973 6.332 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2529589 YOXULWIQRLDAKT-VULFUBBASA-N 457.313 5.375 50 50 JKGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccc(OC(=O)c4cccc(C)c4)cc3)cc2)cc1 2565222 FYYYZEDETCIIHI-ZCTHSVRISA-N 478.548 5.866 50 50 JKGA O=C(Oc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1)c1ccccc1Cl 2585057 QQYYMPYPVNPMEE-LGJNPRDNSA-N 469.349 6.191 50 50 JKGA CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCC)cc3)c(OCC)c2)cc1 4329614 CLLYTLNEQNBRDP-VUTHCHCSSA-N 490.556 5.256 50 50 JKGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCCC)cc3)c(OC)c2)cc1 4330738 NQONHXNJUSQONZ-VUTHCHCSSA-N 488.540 5.032 50 50 JKGA CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1OC 1775975797 GESFHIGWZZWPRY-AREMUKBSSA-N 470.525 5.230 50 50 JKGA CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2ccccc2C(F)(F)F)C2=C1C(=O)CCC2 1157048 TUYVWJMIUONNID-IBGZPJMESA-N 475.561 6.184 50 50 JKGA COc1ccc2[nH]c(/C(C#N)=C\c3ccc(-c4ccc(Br)c(Cl)c4)o3)nc2c1 9934920 SDHBOPDMKZERSQ-JYRVWZFOSA-N 454.711 6.312 50 50 JKGA CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(SC)c2)ccc1OCc1ccccc1OCC#N 226818274 PARVIVKDQWJBOM-JCMHNJIXSA-N 499.592 5.834 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1 2573547 RUGCFVMYNQRPDU-DHRITJCHSA-N 473.754 5.454 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 4347439 XWHSJDMBNCINRF-RPPGKUMJSA-N 477.731 5.639 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3Cl)n2-c2ccccc2)cc1 2326631 ONJLEVGWBWLYCF-CVKSISIWSA-N 461.978 5.139 50 50 JKGA CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)ccc1OCc1ccccc1C 20176022 MVROEEDXSILPIQ-HYARGMPZSA-N 470.525 5.290 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 20457156 NSENTKFDILKYNG-QFIPXVFZSA-N 489.362 6.181 50 50 JKGA CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)CCCC[C@H]1CCSS1 888103833 CKUJQKQSBXESPV-OEAWUUHTSA-N 473.792 7.651 50 50 JKGA CCOc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1OC 2506269 HDGUDSKDLWMKFG-CVKSISIWSA-N 483.362 5.199 50 50 JKGA CC(C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 4282556 UXZAIXSRPFQSDO-UXHLAJHPSA-N 466.537 5.712 50 50 JKGA CCOc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1 4287172 HYUCKCBEHBABSZ-JFLMPSFJSA-N 452.938 5.155 50 50 JKGA CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C[C@@H](C)Cl)CC[C@]4(C)[C@@H]3CC[C@]12C 1772491652 QGDQJFKTMDHPQG-PHMHMJMUSA-N 491.200 9.245 50 50 JKGA CCc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 1857209 RDLKRLAZSSPDNE-OGLMXYFKSA-N 469.614 5.356 50 50 JKGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 2518703 SKMANMCIOMFVGP-MZJWZYIUSA-N 486.355 5.060 50 50 JKGA CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccccc1)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 12250225 SNTNTXGRQPUHEZ-HSZRJFAPSA-N 488.569 5.032 50 50 JKGA CCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(C)cc2)cc1 102316699 NXVVOGDEXOJTPW-WGPBWIAQSA-N 492.704 8.146 50 50 JKGA CC(=O)O[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C(=O)[C@H](Br)[C@@]21C 257347960 AADCNQYPXUSRGN-YFTIJDDXSA-N 497.470 5.081 50 50 JKGA Cc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(Br)s3)C3=C2CC(C)(C)CC3=O)cc1 705424 UAFZOLFYATWDGI-FQEVSTJZSA-N 468.420 5.760 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1 2542704 UDGYKRNRCZPMDS-OKCVXOCRSA-N 499.954 5.418 50 50 JKGA CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 2584810 OIEVMUTVBQSJKV-MZJWZYIUSA-N 487.339 5.384 50 50 JKGA C/C(=N/NC(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1)c1ccc(NC(=O)C2CCCC2)cc1 8453926 IHGFYTXEJMSEJC-MBTHVWNTSA-N 481.984 5.077 50 50 JKGA C/C(=N\NC(=O)c1cccc2ccccc12)c1cccc(NC(=O)COc2ccc(Cl)cc2C)c1 8456108 TVAKTQGKQWJNFD-ZCTHSVRISA-N 485.971 5.973 50 50 JKGA CCCCOc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 9353378 OBGIZNMNNNSJSX-SAPNQHFASA-N 454.393 6.728 50 50 JKGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)CCCCCCCCCCCCC 102288765 ULOWIFZIOWOPRF-LHLOQNFPSA-N 465.476 7.165 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@H]1c1c[nH]nc1-c1ccc(F)cc1 718415 XBWVLMJAYBFUJU-QGZVFWFLSA-N 467.291 5.131 50 50 JKGA CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1ccccc1Cl 1142996 YSUBQTKXUZBFRZ-HSZRJFAPSA-N 482.005 5.279 50 50 JKGA CCc1ccc(-c2cc(C(=O)NNC(=O)Nc3ccc4c(c3)OCO4)c3cccc(Cl)c3n2)cc1 2854102 ZQJSWWXHEUPLPI-UHFFFAOYSA-N 488.931 5.313 50 50 JKGA Cc1ccc(Sc2nc3ccccc3cc2/C=N/NC(=O)c2cc(Br)ccc2O)cc1 6857630 PUGYPDKTJMTKGU-VULFUBBASA-N 492.398 5.926 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)C2(CCCCC2)C(C#N)=C(SCC(=O)Nc2nccs2)N1 8856757 QDKDTNWHVHELID-UHFFFAOYSA-N 479.631 5.016 50 50 JKGA CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2F)s1 20562624 UKYTVIACHUAZSQ-CPNJWEJPSA-N 478.545 5.751 50 50 JKGA O=C(Oc1ccc(Br)cc1/C=N/NC(=O)C1CCCCC1)c1ccccc1Cl 2531140 SAUJJFSJZSUVQW-ZMOGYAJESA-N 463.759 5.352 50 50 JKGA O=C(Nc1ccc(OC(F)(F)[C@H](F)Cl)cc1)NC1(C(F)(F)F)Oc2ccccc2O1 2689776 OWOYNEJALGLEEV-ZDUSSCGKSA-N 456.726 5.002 50 50 JKGA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)o1 15745783 RSQJDNVGJAYNGS-LCYFTJDESA-N 468.263 5.172 50 50 JKGA COc1ccc2nc(/C(C#N)=C\c3cc(OC)c(OCc4ccccc4)cc3Br)[nH]c2c1 16426015 GPULUTWEVNPAJC-ZDLGFXPLSA-N 490.357 5.986 50 50 JKGA O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cccc(F)c3N[C@H]2c2ccc(F)cc2)[C@H]1Cl 239425949 VMVWNRGZUWPWQV-OWBSIYFLSA-N 472.944 6.912 50 50 JKGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)s3)c3ccccc3n2)c(OC)c1 1003497 JXIDRNXAHGRVAL-DHRITJCHSA-N 451.935 5.398 50 50 JKGA N#CC1=C(SCC(=O)N(c2ccccc2)c2ccccc2)NC(=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 1142942 PVWLGZZLYVPHLT-JOCHJYFZSA-N 484.537 5.032 50 50 JKGA COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1COc1cccc2cccnc12 2089947 UUCCZZUOSUACCE-WKULSOCRSA-N 475.932 5.005 50 50 JKGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1 2391530 PYPHQHGRARUDCL-MZJWZYIUSA-N 491.956 5.171 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1cccc(Cl)c1 2520250 CNSDKRLNDWTQRH-ZMOGYAJESA-N 457.711 5.086 50 50 JKGA O=C(COc1cccc2ccccc12)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 2542426 DPKSMKIUUVDIRJ-LQKURTRISA-N 458.901 5.242 50 50 JKGA CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCCC)cc3)c(OC)c2)cc1 4292587 BXEAYUNKQDTDKO-VUTHCHCSSA-N 490.556 5.256 50 50 JKGA CC1(C)CC(/C=C/c2ccc(/C=C/C3=CC(=C(C#N)C#N)CC(C)(C)C3)cc2)=CC(=C(C#N)C#N)C1 685944767 WAKLMYVFVNQOTF-WGDLNXRISA-N 470.620 7.893 50 50 JKGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c2)cc1 4360359 WGTALMYLCOSZOH-FYDYWCEBSA-N 487.339 5.139 50 50 JKGA CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1C#N 12363462 AEGLVCOPKXJULT-NHDPSOOVSA-N 459.889 6.162 50 50 JKGA COc1ccc(C(=O)COc2ccc(/C=C(\C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1 16319991 TWQPQJBQFQNPQF-KGENOOAVSA-N 486.980 6.798 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1)c1ccc(F)cc1 25783010 PMVMNMAEZBMDQE-LQKURTRISA-N 462.912 5.602 50 50 JKGA Cc1ccccc1[C@@H]1C(C#N)=C(N)N(c2cccc(Br)c2)C2=C1C(=O)CC(C)(C)C2 695861 ISRRDLLZOBAWGX-JOCHJYFZSA-N 462.391 5.698 50 50 JKGA Cc1ccsc1[C@@H]1C(C#N)=C(n2cccc2)N(c2ccc(C(F)(F)F)cc2)C2=C1C(=O)CCC2 1431998 NSEKRSCPIFRTSA-JOCHJYFZSA-N 479.527 6.880 50 50 JKGA COc1ccccc1C(=O)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12 2553404 YRNHLMOGRGFOKI-WKULSOCRSA-N 493.346 6.138 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 6242600 YECLFTCYGHXYNR-QFIPXVFZSA-N 491.827 6.548 50 50 JKGA Cc1cccc(C(=O)N[C@H](NC(=S)Nc2ccc(Cl)cc2Cl)C(Cl)Cl)c1 100728919 DPBCCSKOEWFHOM-OAHLLOKOSA-N 451.206 5.148 50 50 JKGA COc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2530576 ZEVMVNMUCOVCMO-UVHMKAGCSA-N 487.339 5.059 50 50 JKGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 4259059 GKBMQRPLZCLFQU-UXHLAJHPSA-N 453.542 5.052 50 50 JKGA CCc1ccc(OCC(=O)N/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 4260768 ZYZFGGZLJFDXKR-OCSSWDANSA-N 456.517 5.649 50 50 JKGA c1ccc([P+](Cc2cc3ccccc3c3ccccc23)(c2ccccc2)c2ccccc2)cc1 95749429 HLSGIRNEQVHAJT-UHFFFAOYSA-N 453.545 7.487 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3)[nH]n2)cc1 102302571 BNRBMWHKYNVDPZ-OVVQPSECSA-N 452.986 6.233 50 50 JKGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(OCc2ccccc2F)cc1 718012 NYSGGFRKPIZDPS-CJAUYULYSA-N 456.473 5.206 50 50 JKGA Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 841910 APDFHICNEGDZPU-GOSISDBHSA-N 476.161 5.468 50 50 JKGA COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccccc1 2213531 QCGZPKLEOIKRBD-UZWMFBFFSA-N 487.559 6.253 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C)cc3)cc2OCC)cc1 2531821 YTVXYYHMHBNFPP-MTDXEUNCSA-N 460.530 5.166 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 2584935 FCGJOEYMSUDPAE-JVWAILMASA-N 453.454 5.040 50 50 JKGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)COc2ccc(OCc3ccccc3)cc2)cc1 4230021 KVELTXNHBGJTPM-ZCTHSVRISA-N 494.547 5.322 50 50 JKGA CCCCOc1ccc(OCC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 4335796 XIHNKKQITWJVEL-OGLMXYFKSA-N 466.965 5.627 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 33340573 RMRRFLJETBTVGK-JVWAILMASA-N 489.919 5.371 50 50 JKGA N#CC1=C(N)Oc2nc(SCc3ccccc3Cl)nc(N)c2[C@H]1c1ccc(C(F)(F)F)cc1 1430920 HYRZBEXVQWSXGY-INIZCTEOSA-N 489.910 5.241 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2543877 UGLHQLBOEQCWGU-UVHMKAGCSA-N 475.303 5.514 50 50 JKGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2Cl)cc1OC 2544359 WZAALYIIEWBLER-MUFRIFMGSA-N 488.927 5.494 50 50 JKGA COc1ccc([C@@H]2C(C#N)=C(SCC(=O)c3ccccc3)NC(C)=C2C(=O)Nc2ccccc2)cc1 3970299 AUCWVUNPSZTTHL-HHHXNRCGSA-N 495.604 5.646 50 50 JKGA N#C/C(=C\c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1 20533891 DBMRCMBGFXFXHY-QGOAFFKASA-N 490.441 6.162 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1cc2ccccc2cc1O 2570260 FCUQDRBQFFFMME-UXHLAJHPSA-N 460.489 5.682 50 50 JKGA Cc1cc(OCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)c(C(C)C)cc1Br 2897713 FOSHFODXTSMCCJ-JFLMPSFJSA-N 481.390 6.202 50 50 JKGA N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)cc1 25781944 NDKSLAKAAIAEBE-HXUWFJFHSA-N 488.307 5.773 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3OCc3ccccc3)cc2)cc1 2542706 VEMIUOUHYBYUFG-AJBULDERSA-N 494.547 5.647 50 50 JKGA Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1 2543973 TYXRXYZCPZLSIA-DHRITJCHSA-N 471.738 5.394 50 50 JKGA COc1ccc(N(C(=O)CCl)[C@H](C(=O)NCCc2ccccc2)c2cccs2)cc1Cl 3034974 UNVKYJSNMVDZJE-QFIPXVFZSA-N 477.413 5.082 50 50 JKGA in-vitro CCOc1cc(/C=C(/C#N)c2ccc(F)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 12364115 GZDJJFKCOQBFLH-JAIQZWGSSA-N 451.881 6.219 50 50 JKGA CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)CCl)[C@H]3c2ccc(N(C)C)cc2)cc1 1875389758 SRRBJGATPDYNQA-WAXAOOOASA-N 451.014 5.180 50 50 JKGA O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Br)[C@H](Br)c1ccccc1 1751356 YZCDLXPUEHWGSE-ZIAGYGMSSA-N 451.080 5.544 50 50 JKGA CCn1c(SCC(=O)N/N=C/c2ccc3c(c2)c2ccccc2n3CC)nnc1-c1ccccc1 2289738 LDLQTMVSYKBCHT-OGLMXYFKSA-N 482.613 5.335 50 50 JKGA O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 4282085 HMDQEKHFEWZWRL-ZCTHSVRISA-N 474.516 5.741 50 50 JKGA N#C/C(=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)NCc1ccc2c(c1)OCO2 20428981 FFMSXRUWJWXYFV-VCHYOVAHSA-N 481.335 5.524 50 50 JKGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 102294685 VDSIONUWYJJLGM-AJBULDERSA-N 497.611 5.532 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](Br)C[C@]4(C)[C@H]3CC[C@@]12C 257355890 DHZKAQAKUFROMZ-ZEEZMGGSSA-N 465.560 8.050 50 50 JKGA N#CC1=C(N)Oc2cc(OC(=O)c3ccc4ncccc4c3)ccc2[C@@H]1c1c(F)cccc1Cl 1775977738 VUUCXOXZUFFAKA-QHCPKHFHSA-N 471.875 5.465 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1sccc1C 1199104 BYGHQVFKECJHGW-FQEVSTJZSA-N 477.438 6.264 50 50 JKGA CC(C)(C)c1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(C(C)(C)C)c1O 2702256 SBTWVDMSHILBSM-BIZUNTBRSA-N 479.624 6.966 50 50 JKGA CCc1ccc([C@H]2C(C#N)=C(SCC(=O)c3ccc(Cl)c(Cl)c3)NC(C)=C2C(C)=O)cc1 2921700 QGPNMYKLDKIRAH-DEOSSOPVSA-N 485.436 6.457 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(F)(F)F)cc1)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])s1 12402302 CPDBYJBRCKTACC-IBGZPJMESA-N 488.491 5.616 50 50 JKGA C[C@@H](/C=C\I)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 222421519 UGTQLDUNJPNVQI-ZPWFJYARSA-N 450.436 5.148 50 50 JKGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 631244 LRFCFMKSNRHZKI-QHCPKHFHSA-N 454.505 5.129 50 50 JKGA O=C(N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1)c1ccc(O)cc1 4210576 XZBHYTMXONUCRM-DHRITJCHSA-N 450.903 5.243 50 50 JKGA N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 16345475 GDTBVWCVYVTCII-GZTJUZNOSA-N 468.296 5.983 50 50 JKGA COc1cccc(-c2n[nH]c3c2[C@H](c2cccc(OCc4ccc(C)cc4)c2)C(C#N)=C(N)O3)c1 20367392 AFUPXVMCEMJVFH-XMMPIXPASA-N 464.525 5.191 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(OC)cc3)[nH]n2)cc1 102302991 SJHBVGBRPYBXOD-VFCFBJKWSA-N 462.594 5.979 50 50 JKGA O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 2571669 CUHWZZMVTNFXGE-WPWMEQJKSA-N 456.523 5.163 50 50 JKGA C1=C[C@H]2C[C@@H]1[C@@H](P(c1ccccc1)c1ccccc1)[C@@H]2P(c1ccccc1)c1ccccc1 2575215 CDJHPMXMJUCLPA-RMDVPPNSSA-N 462.513 6.195 50 50 JKGA N#CC1=C(N)Oc2c(c(-c3ccco3)nn2-c2ccccc2)[C@H]1c1ccc(Br)s1 2788894 CKMQUAQOLXRSBR-QGZVFWFLSA-N 465.332 5.174 50 50 JKGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 3672598 RSKXEKMBBJIFPK-CJAUYULYSA-N 456.473 5.206 50 50 JKGA CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3c(=O)[nH]2)cc1 12382373 YSERCHIEISYFIJ-CJLVFECKSA-N 487.563 5.875 50 50 JKGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)c3ccccc3n2)cc1 19893389 OIQUBRNGPGGBIT-UZWMFBFFSA-N 471.560 6.553 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2cccc(Cl)c2)cc1 2530613 UQWTTWQEXKQJIK-MUFRIFMGSA-N 472.928 5.550 50 50 JKGA COc1cccc(CSC2=C(C#N)[C@@H](c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N2)c1 8441960 NEHZFWUTFCQGOS-DEOSSOPVSA-N 473.623 6.025 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(NC(=O)c2cccnc2)cc1 8454284 YPEYBXPXTRGBHT-KCSSXMTESA-N 491.576 5.765 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 20495150 LZQFUCXCXGEWGE-JOCHJYFZSA-N 489.362 6.181 50 50 JKGA N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)c(Cl)c3)ccc2[C@H]1c1ccc(F)cc1F 826691996 SMVRYHFXNBJDJL-OAQYLSRUSA-N 473.262 5.709 50 50 JKGA CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCCl)CC[C@]4(C)[C@H]3CC[C@]12C 1772491748 GDOXPOQXTZCSGF-DODPWHCSSA-N 491.200 9.247 50 50 JKGA COc1cccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3Cl)ccc3ccccc23)c1 2530565 OHEINYUJAZVIFQ-WKULSOCRSA-N 493.346 6.138 50 50 JKGA C1=C[C@H]2C[C@@H]1[C@H](P(c1ccccc1)c1ccccc1)[C@H]2P(c1ccccc1)c1ccccc1 2575216 CDJHPMXMJUCLPA-QHNMYUOLSA-N 462.513 6.195 50 50 JKGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4)cc3)cc2)cc1 2578289 DSPSVEAERDSZOE-FDAWAROLSA-N 484.983 6.570 50 50 JKGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccc(C(C)C)cc2)cc1 4259716 VMLUBXDOQZIOIT-ZCTHSVRISA-N 496.611 5.981 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C(n1cccc1)=C(C#N)[C@]21C(=O)Nc2ccccc21 12402284 MTKJKXFHWUDDCZ-LJAQVGFWSA-N 478.527 5.373 50 50 JKGA COc1cc([C@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OCc1ccccc1 19770302 KNNLQPINRLAXSB-HLADLETHSA-N 476.576 6.159 50 50 JKGA O=C(NNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 19893301 UJMOFXWEAAYQKO-UHFFFAOYSA-N 485.154 6.559 50 50 JKGA COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OCc1ccccc1 989001 OXMMDOYTNHRTQD-MHZLTWQESA-N 478.552 5.295 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(N)=C(C#N)[C@H]2c1ccc2c(c1)OCO2 1436413 NKZGMTAXVUNDLP-JOCHJYFZSA-N 481.474 5.375 50 50 JKGA CCOc1ccccc1[C@@H]1C(C#N)=C(N)N(c2ccc(Br)cn2)C2=C1C(=O)CC(C)(C)C2 8456244 OSCOIMVCRSPBGP-JOCHJYFZSA-N 493.405 5.184 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2F)cc1 822876870 OPLVMJPNQMMRKX-RUZDIDTESA-N 476.479 5.581 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1cccs1 1248388 LHVDZFGAXBDUQL-XIEYBQDHSA-N 461.616 5.245 50 50 JKGA COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1 4209528 BWZDLORZJODOEP-MZJWZYIUSA-N 494.956 5.312 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)c(C)c3)cc2)cc1 4258627 RBAIZMIUBUOHKJ-RDRPBHBLSA-N 474.557 5.231 50 50 JKGA CCC/C(=N\NC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccc(C)cc12)c1ccc(Cl)s1 20562449 ATGLTSYBXDCOOZ-JJKYIXSRSA-N 492.044 7.258 50 50 JKGA COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(Br)cc3)n(-c3ccccc3)n2)cc1 25559284 FJJLEYDWILWNTL-WPWMEQJKSA-N 489.373 5.464 50 50 JKGA C/C(=C\C[C@@]1(C)CCC[C@@H](C)C1=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169832062 NRWJAFXZCMUZQQ-GAXANMLDSA-N 476.777 7.075 50 50 JKGA Cc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3C(F)(F)F)C3=C2C(=O)CCC3)s1 1109795 OQQVEABCQISMAK-LJQANCHMSA-N 463.912 6.034 50 50 JKGA C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2521671 LRXIQSRMPXSEIV-SVMUSQEWSA-N 472.928 5.630 50 50 JKGA CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 2584831 XYRZTNDVXFMHMM-MZJWZYIUSA-N 473.356 5.500 50 50 JKGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccc(Cl)cc1 9334771 GJSABXOYEKVKAM-HSZRJFAPSA-N 484.943 5.536 50 50 JKGA O=C(CCCC[C@@H]1CCSS1)NCCCNC(=O)CCCC[C@@H]1CCSS1 13976013 QGUXZRFEKWOQQL-IAGOWNOFSA-N 450.761 5.037 50 50 JKGA in-vitro N#C/C(=C\c1ccc(I)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 16671780 VZLUBOPPKDASEX-KPKJPENVSA-N 483.161 6.786 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccccc1OCc1ccc(Br)cc1 20530247 ZKEZGTLNICWCRF-QFIPXVFZSA-N 499.368 5.636 50 50 JKGA CN(C(=S)SSC(=S)N(C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 71766965 WOGBEVBNLMWADQ-UHFFFAOYSA-N 454.580 5.027 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 102282920 CPPZXZLXYJNZOT-NLRVBDNBSA-N 473.411 6.259 50 50 JKGA CCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OC)cc2)cc1 102288440 XXLIDRMCSRMMJV-JJKYIXSRSA-N 480.649 7.066 50 50 JKGA C[C@]1(Br)CC[C@H]([C@@](C)(Br)CBr)C[C@@H]1Br 256167052 BQAKZPPEUZUAJR-XKNYDFJKSA-N 455.854 5.252 50 50 JKGA O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 4231903 YMDVXIFAOIUVFC-ZXVVBBHZSA-N 471.538 5.044 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 102301600 IPEMFHWYFKOIDD-VFCFBJKWSA-N 457.014 6.930 50 50 JKGA Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 1834984 VGMSKAMZPJDWMN-JVWAILMASA-N 455.587 5.102 50 50 JKGA Cc1ccsc1/C=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 2699696 NMVRSDPQKUPHRD-JVWAILMASA-N 489.670 5.844 50 50 JKGA CCOc1ccccc1/C=N/NC(=O)CCCCCCCCC(=O)N/N=C/c1ccccc1OCC 4527684 OBEUQTFKGNUOBJ-VFIVCBTMSA-N 494.636 5.205 50 50 JKGA C/C(=N\NC(=O)COc1cc(C)c(Cl)c(C)c1)c1cccc(NC(=O)c2ccc(C)s2)c1 8454264 CDXZGZCKDTUMFK-WPWMEQJKSA-N 469.994 5.498 50 50 JKGA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)c2ccccc2)N1 8934307 GSPBIMMFRINBLS-RUZDIDTESA-N 485.634 6.007 50 50 JKGA CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)c(F)c2)cc1 1775977442 UPGVZSZQOILMLP-DEOSSOPVSA-N 462.452 5.189 50 50 JKGA O=C(Nc1ccc(Br)cc1)[C@@H](Br)[C@@H](Br)c1ccccc1 1737974 XFDWMSWRUOGPKM-KBPBESRZSA-N 461.979 5.287 50 50 JKGA O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)C1CCCCC1 2521902 YKIZISAZGBKHKL-SHXDQTRASA-N 455.352 5.098 50 50 JKGA C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4210702 JXTKHTGZDKLAPU-OCHFVJCNSA-N 464.521 5.376 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(Br)cc1 4355699 YVYWVQQBUDPGLJ-BRJLIKDPSA-N 492.156 5.739 50 50 JKGA N#C/C(=C\c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 9056830 CALVSYQPFUCQKR-NLRVBDNBSA-N 456.570 8.334 50 50 JKGA Cc1ccc(N2C3=C(C(=O)CC(C)(C)C3)[C@H](c3cccc(F)c3)C(C#N)=C2n2cccc2)c([N+](=O)[O-])c1 12447352 SSKMSVJSYGYVKD-AREMUKBSSA-N 496.542 6.483 50 50 JKGA CC(C)[Si](O[C@H]1C=C(C2(O)CCC2)OC[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C 169833990 KYBVWWCNYOVFDI-LOSJGSFVSA-N 498.897 7.937 50 50 JKGA Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3F)cc1)C(C#N)=C(N)O2 718573 ZVNXFCWJMPCVHT-RUZDIDTESA-N 452.489 5.117 50 50 JKGA Cc1cc(Br)ccc1N1C2=C(C(=O)CCC2)[C@@H](c2ccsc2)C(C#N)=C1n1cccc1 1432005 BPSBKYHMDFSDMF-QHCPKHFHSA-N 490.426 6.624 50 50 JKGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl 2391644 NDEBPHQVGOAXOL-MZJWZYIUSA-N 491.956 5.171 50 50 JKGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CC(C)(C)C3)cc1 3669904 MXYZTASLLXBGPT-RUZDIDTESA-N 498.652 5.838 50 50 JKGA CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 6019135 TXGZJQLMVSIZEI-UQMAOPSPSA-N 491.672 6.291 50 50 JKGA biogenic,investigational CCCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CCC)c1=O 8398466 BGMWCJIZCVESJA-UHFFFAOYSA-N 457.615 5.189 50 50 JKGA COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1ccc(F)cc1 2888530 ZOPRDEKLDNWDFB-GRSHGNNSSA-N 482.305 5.938 50 50 JKGA O=C(COc1ccc(Cl)cc1)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 4258675 HZTGEQLSJRUTFA-LQKURTRISA-N 458.901 5.242 50 50 JKGA COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 6645310 AEJYGVQEZLSQFD-RAXLEYEMSA-N 468.263 5.172 50 50 JKGA N#C/C(=C\c1ccc(OCc2c(F)cccc2Cl)cc1)c1nn(-c2ccccc2)c(N)c1C#N 12377083 FJXGJVFCXXAMGY-QGOAFFKASA-N 469.907 5.762 50 50 JKGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 12412749 HKAZHKYHRGNCHI-VWLOTQADSA-N 474.944 6.064 50 50 JKGA Cc1ccc2[nH]c(/C(C#N)=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)nc2c1 13132511 NDQGOGICSBXTBV-MHWRWJLKSA-N 464.403 6.655 50 50 JKGA aggregator COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1 16393919 RWLKFUPMPLPPRR-LDADJPATSA-N 463.877 5.338 50 50 JKGA O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2ccccc2OCc2cccc3ccccc23)n[nH]1 16956684 GRTYFIUTEQOKHO-STBIYBPSSA-N 462.509 5.278 50 50 JKGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2cccc(OCc3ccccc3Cl)c2)[nH]n1 17016643 VRAXMLQUIGETCX-WKULSOCRSA-N 483.959 5.863 50 50 JKGA CCCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Sc1nc2ccccc2s1 20562670 KVHRYRWEKRHRBE-AEOXGOBCSA-N 478.437 5.479 50 50 JKGA CCOc1ccc(OCC)c([C@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)c1 1109716 WZUCOPOHSXMEQS-DEOSSOPVSA-N 497.517 5.808 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 2349578 ONHRMLFEAXYSFI-RDRPBHBLSA-N 483.641 5.783 50 50 JKGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)c(OC)c2)cc1 4210450 CLUMIQVTTDXKLZ-MZJWZYIUSA-N 494.956 5.555 50 50 JKGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc3ccccc3c2)ccc1OC(=O)/C=C/c1ccccc1 4283305 JBIXARJBMVRBPR-PYUDJQKTSA-N 494.547 5.385 50 50 JKGA CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2ccc(C)c(Cl)c2)C2=C1C(=O)CCC2 9982066 GJIIDLDVHPFCBQ-HXUWFJFHSA-N 456.036 6.045 50 50 JKGA O=C(NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Oc1ccccc1 100734356 KWDFEIKRACJGAZ-UHFFFAOYSA-O 493.350 6.373 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](I)CC[C@]4(C)[C@@H]3CC[C@@]12C 255004126 PMVJGSYGUZXDAR-IQJYFGLXSA-N 496.561 8.831 50 50 JKGA CCOc1ccc(OCC)c([C@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CCC3)c1 1111364 CTVSTUJMEQRGQO-VWLOTQADSA-N 488.544 5.005 50 50 JKGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 4260740 SOBAGWYACQILMP-IBBHUPRXSA-N 489.934 5.091 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCCC3)C(N)=C(C#N)[C@@H]2c1cccnc1 1437162 FGLFCLPMEPREPS-QHCPKHFHSA-N 469.614 5.225 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccc(C)c2)cc1 2531750 HPMOLWZIRPTEJD-RDRPBHBLSA-N 452.510 5.530 50 50 JKGA C=CCc1ccccc1OCC(=O)N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12 2532241 WYHVHWMMBNGMDY-FDAWAROLSA-N 498.966 5.970 50 50 JKGA CC(C)(C)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1 13239686 NUEHYSKSEPVRFR-MUFRIFMGSA-N 491.060 6.278 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc([N+](=O)[O-])cc2)=C(C#N)[C@@H]1c1ccccc1Cl 16676382 VDKQZQLFKOXFKV-QFIPXVFZSA-N 467.934 5.149 50 50 JKGA Cc1cc(NC(=O)N(NC(=O)Nc2ccccc2C(F)(F)F)c2ccccc2)ccc1Cl 19880662 MAOLXADWXUHISZ-UHFFFAOYSA-N 462.859 6.442 50 50 JKGA N#C/C(=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-] 20533899 UYYWWUUGAKLJOK-QGOAFFKASA-N 456.889 5.797 50 50 JKGA O=C(NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Nc1ccccc1 100855401 BJKKOVULCBBGDT-UHFFFAOYSA-O 492.366 6.406 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1c(OC(=O)c2ccc(OCC)cc2)ccc2ccccc12 102275104 ZXPCNMBMAHRIOO-DFKUXCBWSA-N 488.628 7.049 50 50 JKGA N#CC(C#N)=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 220955171 WOBRUIWICCFAJU-UHFFFAOYSA-N 486.978 6.528 50 50 JKGA Brc1ccc([C@H](Br)[C@@H](Br)c2ccccc2Br)cc1 2167747 BBJOOAHOFKXTJW-KBPBESRZSA-N 497.850 6.784 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3Cl)nnc2-c2ccccc2)cc1 2704736 JKIKIVRGLSURRD-CVKSISIWSA-N 461.978 5.139 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2OC)cc1 4260477 PMFVSVGKBQTODH-AJBULDERSA-N 496.563 6.010 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc4ccccc34)cc2)cc1 4282411 WGFVUDOZVDUUOW-NDZAJKAJSA-N 482.536 5.377 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1ccc(OCc2c(F)cccc2Cl)cc1 8846330 GRJCAEXXFVXCJF-JOCHJYFZSA-N 490.897 5.805 50 50 JKGA CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5[C@@H](Br)[C@@H]3C[C@@H]54)cc2)cc1 239439222 ZPOPXAWDGVHMBH-UQOPEDAQSA-N 484.390 5.286 50 50 JKGA Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 2531232 PQEJAOLSISSBMM-NDZAJKAJSA-N 478.504 5.197 50 50 JKGA CCOc1cc(/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)ccc1O 8387319 LPWAEDWSRORNCO-WQRHYEAKSA-N 466.518 6.238 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1)c1ccc(Cl)cc1 25783130 KKEFVFSELBNPOO-LQKURTRISA-N 479.367 6.117 50 50 JKGA COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)[C@H](Br)[C@@]12C 257348977 KLRIHFBNZZHISJ-CEPJLCFLSA-N 483.487 5.699 50 50 JKGA CCOC(=O)/C(C#N)=C/c1c(C)cc(C)c(Cc2c(C)cc(C)c(/C=C(\C#N)C(=O)OCC)c2C)c1C 2072418 QCXJSZDTYSEAGZ-GUJRAXHGSA-N 498.623 6.068 50 50 JKGA COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1cccc(F)c1 16319636 PDHLQPSLLXXMLJ-ZDLGFXPLSA-N 483.293 6.148 50 50 JKGA N#C/C(=C\Nc1ccc(S(N)(=O)=O)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1190646 MNCCYRUYFULSCK-HMMYKYKNSA-N 458.568 5.101 50 50 JKGA N#CC1=C(N)Oc2nc(SCc3ccc(Cl)cc3)nc(N)c2[C@H]1c1ccc(C(F)(F)F)cc1 1430802 OYIGJZIYLAEZGJ-INIZCTEOSA-N 489.910 5.241 50 50 JKGA CCCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 2506449 LUUBATLOKFEXMV-OGLMXYFKSA-N 464.949 5.431 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccc3ccccc23)c1 2552987 LDYDOOCCRYHLKE-ZCTHSVRISA-N 458.517 6.285 50 50 JKGA C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4210701 JXTKHTGZDKLAPU-IZTHWJBNSA-N 464.521 5.376 50 50 JKGA O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4229908 PJCQROVUNVBOGA-CICGMSFVSA-N 476.532 5.502 50 50 JKGA CCc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1 4283490 DJERQJKNKCPTHT-MZJWZYIUSA-N 471.340 5.304 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccccc2Cl)=C(C#N)[C@H]1c1ccc(Cl)cc1 16676250 ZVJWZHGCPPEVQE-JOCHJYFZSA-N 457.382 5.894 50 50 JKGA C[C@H]([C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)N(C)P(c1ccccc1)c1ccccc1 100009553 DGQLHSBBGJGDKT-AREMUKBSSA-N 490.547 6.220 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccncc3)c2[C@@H]1c1ccc(OCc2c(F)cccc2Cl)cc1 759064 DFOIUQRBINIVAC-OAQYLSRUSA-N 473.895 5.061 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1ccc(Br)cc1 2921809 BEEFTJFLJDAJSR-DEOSSOPVSA-N 495.442 5.967 50 50 JKGA O=C(N/N=C/c1c(F)c(F)c(F)c(F)c1F)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 2963927 KNYZDUPXEWGIJU-PNQUVVCRSA-N 468.385 5.270 50 50 JKGA Cc1ccccc1OCC(=O)N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1 4210554 COEDVQYBLJEURS-MZJWZYIUSA-N 478.957 5.611 50 50 JKGA Cc1ccc(OCC(=O)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc23)cc1C 4283242 ZRLDIXXAVBHQSS-OKCVXOCRSA-N 486.955 5.858 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 5351748 DCUZDVOIRFAYOO-JVWAILMASA-N 493.976 5.279 50 50 JKGA CCCSc1nc(-c2ccccc2)[nH]c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 8382272 WJEASUDDBBLEOU-UHFFFAOYSA-N 479.609 6.198 50 50 JKGA N#C/C(=C\c1ccc(Br)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 13763958 XHOSAJNIHRFYPO-NTEUORMPSA-N 475.323 6.489 50 50 JKGA CCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c(OCC)c1 102284151 WUJXXZWEYGSJOL-OVVQPSECSA-N 458.986 6.159 50 50 JKGA Cc1ccc(C(=O)N/C(C#N)=C(\Cl)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 102303249 HJMFPROFTSPOEP-BYYHNAKLSA-O 481.943 5.650 50 50 JKGA Brc1ccc([C@@H](Br)[C@H](Br)c2ccc(Br)cc2)cc1 1586396 QDTHKFDPVVIAGR-ZIAGYGMSSA-N 497.850 6.784 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 2584940 XZLAMHGJQPAVAH-MUFRIFMGSA-N 472.928 5.550 50 50 JKGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 4372785 UGKBGQAUSKUQHI-RPPGKUMJSA-N 477.731 5.395 50 50 JKGA Cc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)N/N=C/[C@@H](C)Cc3ccc4c(c3)OCO4)c2c1 20407661 VECLZIYIZCKCRY-KXQRPDPNSA-N 493.607 6.657 50 50 JKGA C/C(=N/NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccccc1OC(C)C 20572533 KXOQIFFMPNTHSW-YKQZZPSBSA-N 457.961 6.496 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Cl)c3)[nH]n2)cc1 102300471 RNLPNUXYARAFMW-OVVQPSECSA-N 452.986 6.233 50 50 JKGA COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)c1 1175060 JQBOBZMMIGTBHK-YVLHZVERSA-N 484.781 6.064 50 50 JKGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1ccc(Cl)cc1 2342437 VHHQOUSLZVUEGH-VULFUBBASA-N 482.396 5.484 50 50 JKGA Cc1ccccc1OCc1ccc(/C=N/NC(=O)[C@H](Sc2ccccc2)c2ccccc2)o1 20419063 RQMYEULGINETBS-SECKTWPTSA-N 456.567 6.151 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c(OC)c1 102264601 JOXHIWILNGLYAQ-ZTKZIYFRSA-N 487.040 6.939 50 50 JKGA CC(C)(C)[Si](C)(C)OCC(N)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C 196570314 VPKYOQBACGWZCO-UHFFFAOYSA-N 463.928 6.749 50 50 JKGA COC(=O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@]34CC[C@@]5(C[C@H](OC(=O)c6ccccc6)CC[C@@]5(C)C3=CC[C@@]12C)OO4 257350114 UUHHCZJOUIVZEG-ABVBWRMASA-N 494.628 5.807 50 50 JKGA CC(C)(C)OC(=O)Nc1ccc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)[nH]c2c1 575440315 IVUIPHKZPNUXGG-MRXNPFEDSA-N 491.975 6.357 50 50 JKGA COC(=O)[C@@H]1[C@H](Cl)C(Cl)=C(Cl)[C@](Cl)(C(Cl)Cl)[C@H]1C(=O)Nc1ccccc1 824121244 LLQDKSKOIVWRLI-VTVITOLOSA-N 480.002 5.122 50 50 JKGA N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(F)cc1F 826691998 STZHWPLXYWMGJI-OAQYLSRUSA-N 473.262 5.709 50 50 JKGA CCc1ccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 2543264 RIYHKLWAPXCVPS-UXHLAJHPSA-N 479.536 5.019 50 50 JKGA CC(C)(C)c1cc(/C=N/NC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)cc(C(C)(C)C)c1O 5351392 BAWUPEHYOQYUCA-OKCVXOCRSA-N 476.665 5.942 50 50 JKGA Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3cccc(Br)c3)CC(=O)N2)c(C)c1 9110576 MMXWQVSXOHWEIF-GOSISDBHSA-N 484.419 5.085 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1cccc2ccccc12 13239682 OVVUWJMTGWYWJC-MUFRIFMGSA-N 485.012 6.134 50 50 JKGA C=CC(=O)CCc1c([C@H](C=C)O[Si](C)(C)C(C)(C)C)coc1CC1(C)OCC(C)(C)CO1 169836373 ZBIOJWHMZHPUBA-QFIPXVFZSA-N 462.703 6.548 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccccc1 9007919 KTIJKURYBUFFJF-NHFJDJAPSA-N 455.587 5.184 50 50 JKGA CCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1 9324706 FSHKWTZKRDLYIN-OGLMXYFKSA-N 454.530 5.127 50 50 JKGA N#C/C(=C/c1ccc(OCc2ccccc2F)c(Br)c1)c1cccc([N+](=O)[O-])c1 12393028 MYYJMVHDJSPNTO-ZDLGFXPLSA-N 453.267 6.140 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Cl)c3Cl)[nH]n2)cc1 102300477 QQDUBBPSUATLRR-OGLMXYFKSA-N 487.431 6.887 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](Br)C[C@]4(C)[C@H]3CC[C@]12C 257347304 DHZKAQAKUFROMZ-VCBONJKSSA-N 465.560 8.050 50 50 JKGA CC(/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)=C\c1ccco1 2262259 OTHORIOQVUKUKJ-SZNNBBDXSA-N 492.004 5.787 50 50 JKGA CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CC(C)(C)C2 2381704 VRARTHYJJHRBRQ-JOCHJYFZSA-N 498.117 7.017 50 50 JKGA COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C(\C)c2ccc3ccccc3c2)cc1 12343057 JJYHYBMRMSNTBI-NFUYWRLCSA-N 463.537 5.160 50 50 JKGA Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N/N=C/c5cc(Br)ccc5O)(C4)C2)C3)cc1 100398797 KGFDANCJDZNCEE-CKWSBGNWSA-N 467.407 5.451 50 50 JKGA CCCCCCCCCCCCCCCCOc1ccc(C(=O)NNC(=S)SC)cc1 100815901 KBAYXPAVTHYADB-UHFFFAOYSA-N 466.757 7.429 50 50 JKGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccccc1C(F)(F)F 102288647 PCRHTCNFMIPNKZ-RDRPBHBLSA-N 455.565 5.973 50 50 JKGA C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 2544382 UDYDCLRPWIJPCS-ZEXXOWEESA-N 480.564 5.762 50 50 JKGA CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OC(=O)c1ccccc1 2570262 CEISRTFSQAHJNG-VUTHCHCSSA-N 452.510 5.151 50 50 JKGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 4335787 XRNPJONFTBRLOM-QFCVIPEKSA-N 450.538 5.850 50 50 JKGA COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 9187103 LUUYNTOCGZNUJA-DEDYPNTBSA-N 452.514 5.270 50 50 JKGA COc1ccc2[nH]c3cc(Cl)ccc3c(=N[C@H](C)CCCN(CCCl)CCCl)c2c1 14880267 UKOBAUFLOGFCMV-MRXNPFEDSA-N 468.856 5.832 50 50 JKGA in-vivo N#C/C(=C\c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1)c1nc(O)c2ccccc2n1 16293678 YAQKZIBCRNJZEQ-NBVRZTHBSA-N 460.453 5.160 50 50 JKGA CCCCCOCCCCCc1ccc(C(=O)Oc2ccc(OC(=O)[C@H](Cl)C(C)C)cc2)cc1 95099939 YXHCWKYYGYLKDO-AREMUKBSSA-N 489.052 6.994 50 50 JKGA COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)cc1COc1ccccc1Cl 622817 CZWLODSVZBZKIL-DEOSSOPVSA-N 498.970 5.844 50 50 JKGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1c(Cl)cccc1Cl 1798396 NJGAZWJRJYGIIN-ZVBGSRNCSA-N 469.444 5.380 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)cc2OC)cc1 2552704 WQHWXLYTKWMPGQ-NDZAJKAJSA-N 482.536 5.159 50 50 JKGA COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(Br)cc4)cc3)[nH]c2c1 16400200 XZMUOSDWTGAZTL-PDGQHHTCSA-N 460.331 5.977 50 50 JKGA C/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 22063892 VCWXLGAMONAJQH-XEUSEFIBSA-N 466.368 5.890 50 50 JKGA COc1cccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccco2)C3)c1OCc1ccc(F)cc1 718366 DHULOXQTPVNLCX-CRICUBBOSA-N 486.499 5.215 50 50 JKGA aggregator CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C1C(=O)CCC2 2891833 DJGRLHFAWPYEQY-HXUWFJFHSA-N 466.588 5.382 50 50 JKGA N#CC1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 25782417 VURPZFMPYWKTQZ-NRFANRHFSA-N 487.865 5.392 50 50 JKGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)[C@@](C)(c2ccccc2)CC(C)(C)N4)cc1 1857526089 JPGVZALWTUMGQV-LITSAYRRSA-N 451.570 5.814 50 50 JKGA COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OC(=O)c1sc2ccccc2c1Cl 4210229 ILBZRYSWPYJWHZ-JFLMPSFJSA-N 478.957 5.475 50 50 JKGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2ccccc2OCc2ccccc2Cl)n[nH]1 5318807 PTNWPHGVLSKLIC-OKCVXOCRSA-N 496.954 5.932 50 50 JKGA CCc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(Br)c3)C3=C2C(=O)CC(C)(C)C3)s1 6284074 YPTNIRANGSTZRS-NRFANRHFSA-N 482.447 6.014 50 50 JKGA FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCI 100434455 DBWLHXGWJWZTDX-UHFFFAOYSA-N 488.025 5.940 50 50 JKGA in-vitro CC(C)[Si](OC[C@H]1OC=C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1O)(C(C)C)C(C)C 169794841 YDOYFAHLHUEGEN-WXFUMESZSA-N 458.832 7.013 50 50 JKGA O=C(N/N=C/c1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccccc1 2530381 VEAYLUSQMVYTNB-RWPZCVJISA-N 463.320 6.130 50 50 JKGA N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1ccc(F)c(F)c1 1775976937 RUSDPGMJARSGLM-NRFANRHFSA-N 483.268 5.165 50 50 JKGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C/c1cccs1 2269177 GOBMZUANYOXJTC-WYMPLXKRSA-N 488.425 5.545 50 50 JKGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 2530464 HQKCNLHYFVJTDS-RWPZCVJISA-N 450.966 5.880 50 50 JKGA BrCc1c(CBr)c(CBr)c2ccccc2c1CBr 3122075 RGMRKCCPGPIVKQ-UHFFFAOYSA-N 499.866 6.419 50 50 JKGA biogenic C/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2ccccc2F)c1 8456052 FWPPNHQXHLKRAG-SJWMUICKSA-N 471.576 6.019 50 50 JKGA Cc1ccsc1/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1 13239570 LKGWOQQOOYQCAN-WYMPLXKRSA-N 455.008 5.350 50 50 JKGA Cc1ccsc1[C@@H]1C(C#N)=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C1C(=O)CCC2 2188861 GPWZZCJTBRUXLE-OAQYLSRUSA-N 460.628 5.563 50 50 JKGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccccc1 2584942 ZYVACFHPMNNOAC-ZMOGYAJESA-N 457.711 5.086 50 50 JKGA Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Br)c2)c(C)c1 2961826 MZEMCCCCSDFROM-UDWIEESQSA-N 479.349 6.330 50 50 JKGA COc1cccc(C(=O)N/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)c1 4229759 FUGNJLOYQFGGMS-VULFUBBASA-N 464.930 5.546 50 50 JKGA C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 4282828 SGEPSRZIQGCZAX-GDVZAJFZSA-N 492.550 6.629 50 50 JKGA CC/C(=N\NC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc12)c1ccc(CC)s1 8454722 STDFDSBJLMFNRK-QUPMIFSKSA-N 473.598 6.087 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCCC3)C(N)=C(C#N)[C@H]2c1ccc(F)cc1 2188866 XRIVHSHBGSNELZ-XMMPIXPASA-N 486.616 5.969 50 50 JKGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2cccc(Cl)c2Cl)cc1 2521709 QWNOLQRDZRGSCP-CCVNUDIWSA-N 479.367 5.684 50 50 JKGA C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 4259175 BTSFFQDBEWNRSW-XMDHKWJTSA-N 492.550 6.629 50 50 JKGA Cc1ccc2cc(/C=C(\C#N)c3nc(-c4ccc(Br)cc4)cs3)c(Cl)nc2c1 16511754 ZZXZJLNWPJIMTM-LICLKQGHSA-N 466.791 7.147 50 50 JKGA COc1ccc(/C=N\NC(=O)c2ccc3c(c2)OCO3)cc1COc1ccc(C(C)(C)C)cc1 28632639 BDFXMWRMOZEMJW-MBTHVWNTSA-N 460.530 5.064 50 50 JKGA COc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2584744 NJTITBFQIZYBRD-UVHMKAGCSA-N 487.339 5.059 50 50 JKGA Cc1ccc(COc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(OCc4ccccc4)cc3)cc2)cc1 4302685 QMJYHALIQDTRRV-LIOKZSBXSA-N 494.591 6.071 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@H]1c1ccc(OCc2c(F)cccc2Cl)cc1 8846384 GRJCAEXXFVXCJF-QFIPXVFZSA-N 490.897 5.805 50 50 JKGA COc1ccc([C@@H]2CC(=O)NC(SCc3ccccc3)=C2C#N)cc1OCc1ccccc1 9374514 BTQHAEFWHMOQMV-QFIPXVFZSA-N 456.567 5.546 50 50 JKGA COCCOCO[C@@H]1C=C2CC[C@H]3C=CC(OC)=C[C@@]2(CC1)[C@@H]3O[Si](C)(C)C(C)(C)C 216468257 MUTKFKKTAIWCQK-FEGXGRLVSA-N 450.692 5.599 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2)cc1 4259149 OFFSAGCLKNXTHU-TWKHWXDSSA-N 466.537 6.002 50 50 JKGA COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)o1 15745671 WTIYNVJYNUPUBU-LCYFTJDESA-N 468.263 5.172 50 50 JKGA Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccc(C(C)C)cc2)c1 19800612 MNDJJWJWMJGEEN-STBIYBPSSA-N 452.558 5.500 50 50 JKGA CCCC[Sn](CCCC)(CCCC)C1=CC[C@H](O[Si](C)(C)C(C)(C)C)C1 169833655 HXSWCOJRTNEJLJ-CZEDPBFNSA-N 487.433 8.485 50 50 JKGA Cc1ccccc1[C@@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C1C(=O)C[C@@H](c1ccccc1)C2 695907 ZAEWVPMRWVQYHR-RBTNQOKQSA-N 490.563 5.910 50 50 JKGA CCCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1 2543191 WDNQQUXELLAAHJ-WGOQTCKBSA-N 481.346 5.221 50 50 JKGA COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OCc1ccc(Cl)cc1 2584672 JTWHZCJPTYNZDD-RWPZCVJISA-N 460.917 5.550 50 50 JKGA COc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)c(OC)c2)c1 4210621 BZUKGNFNPYSZCL-MZJWZYIUSA-N 494.956 5.555 50 50 JKGA Cc1ccccc1P(c1ccccc1C)[C@@H](C)[C]1[CH][CH][CH][C]1P(c1ccco1)c1ccco1 100167647 QASRDTUONOJTNH-QHCPKHFHSA-N 469.481 6.176 50 50 JKGA O=Cc1cccc(/C=C\c2cccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c2)n1 102311676 PWOJWULLORRUKH-FCQUAONHSA-N 484.559 6.559 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccc(OCc2ccccc2)cc1 623033 FNYUZYSKZXLECW-QFIPXVFZSA-N 454.917 5.527 50 50 JKGA CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C1C(=O)CCC2 2381719 YXOQWNVMJWQWKJ-LJQANCHMSA-N 476.454 6.390 50 50 JKGA CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2ccccc2C(F)(F)F)C2=C1C(=O)CCC2 2895404 CDXKKPSNMKOIRG-LJQANCHMSA-N 475.561 6.184 50 50 JKGA O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 4330129 OZHIRGWGECZRRK-DHRITJCHSA-N 473.754 5.211 50 50 JKGA CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)ccc1OCc1ccc(Br)cc1 16474355 NZKUEKPSXKVOBW-UUYOSTAYSA-N 459.343 6.363 50 50 JKGA CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C1C(=O)CCC2 27550674 WLEOHVZAQXQGKQ-OAQYLSRUSA-N 480.615 5.635 50 50 JKGA CC1(C)OB(c2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)OC1(C)C 169978341 ZCWADGZSVATIEQ-UHFFFAOYSA-N 479.389 5.480 50 50 JKGA O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1)c1ccccc1 2023619 ZHMIOPLMFZVSHY-UHFFFAOYSA-N 456.592 6.991 50 50 JKGA biogenic,in-vitro Cc1ccc(-c2c(C(=O)NNC(=S)Nc3ccc(Br)cc3Cl)csc2C)cc1 2853172 FJUVKETVTIQKKR-UHFFFAOYSA-N 494.867 6.079 50 50 JKGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4229687 PAOITPXLDLRGDO-NXYZXBHKSA-N 457.313 5.130 50 50 JKGA CN(C)C1=C(C#N)[C@@H]([C@H]2CCCCC2=O)c2c(c3ccccc3n2C)N1c1ccc([N+](=O)[O-])cc1 9322329 KVEPXIHNJAIJLF-GBXCKJPGSA-N 469.545 5.378 50 50 JKGA Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NNC(=S)Nc3cccc(C)c3C)o2)c1 20357290 YOXGNTJWJURJTQ-UHFFFAOYSA-N 451.592 5.539 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OCC)cc2)c(OC)c1 102275394 CXOYOJRURUBJIU-JBASAIQMSA-N 496.648 6.684 50 50 JKGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1coc2ccccc2c1=O 102291677 BQWIZOTZWPYOFP-MTDXEUNCSA-N 455.599 5.060 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC(=O)[C@]4(C)[C@@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@H]4[C@@]34CC[C@]2(C1)OO4 257348433 FNOFNCIBAJVYBM-QLZZDHBCSA-N 486.693 6.592 50 50 JKGA O=C1c2ccccc2[C@@H](c2c(-c3ccc(Cl)cc3Cl)[nH]c3ccccc23)N1CCCCl 334163498 UZDNERVQQDWEOT-DEOSSOPVSA-N 469.799 7.316 50 50 JKGA COc1cc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 713479 IRSWLSFDIRNGQF-QHCPKHFHSA-N 493.991 5.307 50 50 JKGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl)c1ccccc1F 2544428 XZCTXUZDZFLIQW-BRJLIKDPSA-N 475.701 5.225 50 50 JKGA Cc1cccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)c1 2572913 RXINOUYHAQOHAI-DHRITJCHSA-N 471.738 5.394 50 50 JKGA Cc1cccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)c1 4210083 SZPQYEMQWPMEBG-MZJWZYIUSA-N 478.957 5.611 50 50 JKGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(-c4ccccc4)cc3)cc2)cc1 4259622 KKAHJYIVNCQMNM-KCUTWZHFSA-N 494.547 5.499 50 50 JKGA COc1ccc(-c2cc(C(=O)N/N=C/c3c4ccccc4cc4ccccc34)[nH]n2)cc1OC 5352162 ZAIGSUIUAVPUQO-LQKURTRISA-N 450.498 5.164 50 50 JKGA CCc1ccc([C@H]2C(C#N)=C(N)N(c3cccc(Cl)c3C)C3=C2C(=O)CC(C)(C)C3)s1 6284203 UASNQUJNMIZHMW-JOCHJYFZSA-N 452.023 6.213 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)C23CC4CC(CC(C4)C2)C3)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 8934505 PRQRNPUNLALXHA-OQAHHZTMSA-N 491.613 5.398 50 50 JKGA COc1ccc2[nH]c(/C(C#N)=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)nc2c1 9934930 SWSWWHJJTFHNHR-MFOYZWKCSA-N 480.351 6.530 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])s1 12402330 VNHAVAHQYGPGRO-LJQANCHMSA-N 488.491 5.616 50 50 JKGA Cc1ccc(CSc2nnc(N3C(N)=C(C#N)[C@@H](c4ccsc4)C4=C3CCCC4=O)s2)cc1 12447722 ZACXWYLKNAONRF-HXUWFJFHSA-N 491.667 5.505 50 50 JKGA COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCCC(C)C)cc1 20468568 CFPDEOCXGRROTB-XDHOZWIPSA-N 457.368 5.106 50 50 JKGA COc1cccc(/C(C)=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)c1 730123 UNXLZWPMMDQUAD-TURZUDJPSA-N 458.587 5.034 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1 2543908 RBEVLGXEBYIXIZ-WPWMEQJKSA-N 450.922 5.502 50 50 JKGA CCOc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)ccc1OCc1ccc(Cl)cc1 4303150 LAXXQGFAHYMAJR-OCSSWDANSA-N 488.971 6.000 50 50 JKGA CC/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccc(O)cc1 5351951 CRGRPZXRIOPAAL-SGWCAAJKSA-N 479.005 5.466 50 50 JKGA C/C(=N/NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1cc(Cl)ccc1Cl 20572478 OQSIIPHJUBPBAP-NUJZUDFISA-N 468.771 7.016 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCl)CC[C@]4(C)[C@@H]3CC[C@]12C 257350373 WUBOZGDSEKAKCR-UWXJPDKPSA-N 465.162 8.258 50 50 JKGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)COc2cccc(Cl)c2Cl)cc1 2521689 WEZNWXZSNXVWHO-LGJNPRDNSA-N 457.313 5.050 50 50 JKGA Cc1ccsc1[C@H]1C(C#N)=C(n2cccc2)N(c2ccc(F)c(Cl)c2)C2=C1C(=O)CC(C)(C)C2 12463217 ZUNROGVBRYQMAQ-QHCPKHFHSA-N 492.019 7.290 50 50 JKGA CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 13834866 TXGZJQLMVSIZEI-PWUDJSAJSA-N 491.672 6.291 50 50 JKGA in-vivo C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc(C)s2)c1 20407497 OHYVNWAWMJAVFH-VULFUBBASA-N 476.385 5.535 50 50 JKGA CCCSc1oc(-c2ccc(C)cc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100296678 WARMZIHJMILVAN-UHFFFAOYSA-N 494.620 6.772 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)[C@H](Br)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 257350479 XSXHTVGXMMGURA-GDYAWJBBSA-N 483.575 6.813 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2F)cc1 1775964954 NOQJQDQXEQLXQK-DEOSSOPVSA-N 462.452 5.191 50 50 JKGA O=C(N/C(=C/Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Oc1ccccc1 97976880 UJIXQYJLOIUQLE-QLYXXIJNSA-O 458.905 5.807 50 50 JKGA C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)NN=C(C)c1ccc2ccccc2c1 245241057 WQXCHYIRRZTZET-HXUWFJFHSA-N 485.613 5.217 50 50 JKGA O=C(NN=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2cccc3ccccc23)cc1)c1cccnc1 252680109 WAPZXPYHUXWSQN-WJOKGBTCSA-N 495.586 6.354 50 50 JKGA COCO[C@@H]1C=C[C@]23[C@H](C1)CC1(SCCCS1)[C@@H]2CC[C@H]3O[Si](C)(C)C(C)(C)C 257359219 ZAVFGPCXPDNXRS-DOSYZEEDSA-N 456.790 6.309 50 50 JKGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 2531183 SKZPBOLYDAEAKB-JZNDDVEWSA-N 473.356 5.499 50 50 JKGA CCN(CC)c1ccc([C@H]2C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)CC(C)(C)C3)cc1 3619755 GXDJRNVSFCGBCT-VWLOTQADSA-N 475.036 6.127 50 50 JKGA COc1ccc([C@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CC(C)(C)C3)cc1 8854697 MXYZTASLLXBGPT-VWLOTQADSA-N 498.652 5.838 50 50 JKGA COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)c2C)c([N+](=O)[O-])c1 12342191 IYDFTRGVQGIENU-ZDLGFXPLSA-N 464.909 5.518 50 50 JKGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CC(C)(C)C3)cc1 705626 RVLRLSBVFFXYCG-JOCHJYFZSA-N 467.491 5.655 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccco3)n2-c2ccc(C)cc2)cc1 2326334 DNUAQFBYMGZULT-PDSJQLAYSA-N 457.559 5.052 50 50 JKGA N#CC1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 2573157 VURPZFMPYWKTQZ-OAQYLSRUSA-N 487.865 5.392 50 50 JKGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 3102354 FWTCTZQORKEWFO-WKULSOCRSA-N 493.346 5.895 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccc2ccccc2c1 5359198 CSAARLBLENPYRK-ZCTHSVRISA-N 499.039 6.524 50 50 JKGA COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 13893268 ZZNZIFGWYYCZFR-WPWMEQJKSA-N 492.004 5.229 50 50 JKGA CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2ccccc2[N+](=O)[O-])C2=C1C(=O)CCC2 27550615 PEVKRGIPNHSBGL-OAQYLSRUSA-N 480.615 5.635 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1)C(N)=C(C#N)[C@@H]2c1ccc(F)cc1 713555 DHSDIQVKFDJIBE-NRFANRHFSA-N 466.354 5.529 50 50 JKGA CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2cccc(C(F)(F)F)c2)C2=C1C(=O)CCC2 2542326 JRYUPWGTDWIXPT-LJQANCHMSA-N 475.561 6.184 50 50 JKGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccc(OC(=O)c4cccc(Cl)c4)cc3)cc2)cc1 2578286 FIWWIMKARQVJFX-FDAWAROLSA-N 498.966 6.211 50 50 JKGA COc1ccc2[nH]c(/C(C#N)=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)nc2c1 9934922 GEAKPAPXMRSRGO-YVLHZVERSA-N 478.321 6.116 50 50 JKGA COc1cc(N/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c(OC)cc1Cl 15659444 FJKOVBCLBZFBMJ-KAMYIIQDSA-N 457.939 5.474 50 50 JKGA CCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 102290815 DDJBTTJIPHNVKR-FEZSWGLMSA-N 496.667 7.976 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCl)CC[C@]4(C)[C@H]3CC[C@@]12C 257358998 XUXXPLDKUZSGKH-YVYCMIMXSA-N 463.146 8.178 50 50 JKGA Cc1ccc([C@@H]2C(C#N)=C(n3cccc3)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)s1 1432372 BONNHAKNKKADQU-QHCPKHFHSA-N 479.527 6.880 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(n1cccc1)=C(C#N)[C@H]2c1ccc2c(c1)OCO2 1432633 MYOUFDJZYLRIRF-AREMUKBSSA-N 497.982 6.510 50 50 JKGA C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4260377 RELRENDEKYCWLH-OJPXDDBDSA-N 456.473 5.116 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccccc2Cl)=C(C#N)[C@@H]1c1ccccc1Cl 9600829 AUUGNVSHFCZKBV-QFIPXVFZSA-N 457.382 5.894 50 50 JKGA COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(OC)cc2OC)cc1 20249738 STVHDDDFPJFVDL-PXLXIMEGSA-N 494.551 5.170 50 50 JKGA CC(C)c1cc(C(=O)N/N=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)cs1 20550118 YTSIHKPIJXXIKC-LUOAPIJWSA-N 453.970 6.431 50 50 JKGA COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(Br)cc1 20562426 IQNRUXSIEJTQPG-JYRVWZFOSA-N 457.715 5.047 50 50 JKGA Cc1ccc(-c2cc(C(=O)N/N=C/c3cc(O)ccc3Br)c3ccccc3n2)cc1 25573222 IPHVAZWEBIXYKZ-VULFUBBASA-N 460.331 5.442 50 50 JKGA N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Br)cc1 1435746 WIKWWSBWPAIUJE-FQEVSTJZSA-N 454.755 5.407 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCCOCCOc1ccc(C)cc1 9553559 UYWOITZQQCKODX-VUTHCHCSSA-N 496.991 5.285 50 50 JKGA Cc1c(C(=O)O)cccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)o1 15723787 VRRSGJQZLXRSOJ-KAMYIIQDSA-N 451.276 5.261 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1ccccc1 16676333 BBHIKGGLHVYZHK-JOCHJYFZSA-N 457.382 5.894 50 50 JKGA CC[C@H](C)c1ccc(NC(=S)NNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1 20572818 XKNLTBCXEDFTLV-SFHVURJKSA-N 473.598 6.157 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1 1776466 NWHKSHJQEQWOQK-UXHLAJHPSA-N 497.668 6.091 50 50 JKGA N#CC1=C(N)N(c2cccc(Br)c2)C2=C(C(=O)CCC2)[C@@H]1c1c(Cl)cccc1Cl 2103226 DJTLRUJXVUAJPM-IBGZPJMESA-N 489.200 6.061 50 50 JKGA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 4360362 UERXRTYPWHKFNY-ZKJHFGPLSA-N 491.758 5.784 50 50 JKGA Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)C3=C(CCCC3=O)N2)cc1Cl 13174745 UDYXZMNFKZZKQR-HSZRJFAPSA-N 481.980 5.589 50 50 JKGA C/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2cccc(F)c2)c1 20568788 WQTXVJPUASVZAC-AGNNLCJJSA-N 471.576 6.019 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Br)cc3)[nH]n2)cc1 100608480 JSNUZJWZZGLQDM-OVVQPSECSA-N 497.437 6.342 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc(Cl)cc2)c1 2531439 VBXJWJLVIKYRTN-MUFRIFMGSA-N 472.928 5.550 50 50 JKGA Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1CSc1cc(Cl)ccc1Cl 2727608 JCSGTDCFNJOSIS-HSZRJFAPSA-N 485.436 6.717 50 50 JKGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4Cl)cc3)n[nH]2)cc1 9110384 NCRZRICXHGQMJQ-JFLMPSFJSA-N 460.921 5.082 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2cccc([N+](=O)[O-])c2)=C(C#N)[C@H]1c1ccc(Cl)cc1 16676256 AIVAPJJOOUKBSI-JOCHJYFZSA-N 467.934 5.149 50 50 JKGA CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)c1cc3n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N3)C2 226613835 FBMLHCJNVNTSAR-HHQGUQRDSA-N 477.506 5.615 50 50 JKGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1C(F)(F)F 2372968 JRCUOGIOLILMOU-RWPZCVJISA-N 481.503 5.196 50 50 JKGA CC/C(=N\NC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc12)c1ccc(C)s1 8454713 ZVOINHZFPONWNZ-SGWCAAJKSA-N 459.571 5.833 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccccc1F)C(n1cccc1)=C(C#N)[C@H]2c1ccc2c(c1)OCO2 1432022 JDONQLAPDNCLCO-AREMUKBSSA-N 481.527 5.995 50 50 JKGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3sc4ccccc4c3Cl)cc2)cc1 4258901 IVHWMYNQGUXEGM-VULFUBBASA-N 464.930 5.546 50 50 JKGA CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2cc(-c3cccc(OC(C)C)c3)nc3ccccc23)cc1 8455995 VOUWLIWDPCFXGM-BIZUNTBRSA-N 480.568 5.801 50 50 JKGA CC(/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)=C\c1ccco1 9019662 IVWVKMIJOBIZCZ-NGQJDVRGSA-N 477.977 5.478 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](Br)C[C@]4(C)[C@H]3CC[C@]12C 257348809 IZWHBFBYKQEQAB-WPIBXJLQSA-N 467.576 7.842 50 50 JKGA CSc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)cc1 705621 PTMAVHALESPMDX-OAQYLSRUSA-N 466.404 5.476 50 50 JKGA COc1ccc(Br)cc1/C=N/NC(=O)COc1cc(C)c(Br)cc1C(C)C 2952262 NGEMIZNETGKKDO-AUEPDCJTSA-N 498.215 5.181 50 50 JKGA COc1cc(/C=N/NC(=O)COc2cc(C(C)C)ccc2C)ccc1OC(=O)c1ccc(C)cc1 4282679 DQLAEWQYDNVLTG-MUFRIFMGSA-N 474.557 5.184 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C(n1cccc1)=C(C#N)[C@H]2c1ccc2c(c1)OCO2 12402357 YYRHGGHNJQPUAS-RUZDIDTESA-N 464.525 5.251 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2cc(-c3cccc(OC(C)C)c3)nc3ccccc23)ccc1O 2089971 DWXCXTWMDOZPKX-STBIYBPSSA-N 469.541 5.557 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Cl)c3)nnc2-c2ccc(Cl)cc2)cc1 2389026 XESDWUYGWHZDOM-MZJWZYIUSA-N 496.423 5.792 50 50 JKGA Cc1ccc(OCC(=O)N/N=C/c2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 2531079 CODBYVUVKNVIBY-STBIYBPSSA-N 452.510 5.205 50 50 JKGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(COc3cccc(Br)c3)o2)[C@@H]2CCCC=C12 2769765 SLTAHEKJUBASFZ-DENIHFKCSA-N 475.346 5.215 50 50 JKGA CSc1ccc([C@H]2C(C#N)=C3N=C(N)c4c(sc5c4C4CCN5CC4)N3C3=C2C(=O)CCC3)cc1 12371896 RKBUETWUJNJKKT-FQEVSTJZSA-N 499.665 5.232 50 50 JKGA Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c1 25583854 VMXXTVMFJHLULO-CCVNUDIWSA-N 479.367 5.684 50 50 JKGA COCO[C@H]1[C@H](C)C[C@@]23CCCC[C@@H](C[C@H](C#N)[C@H]4O[C@H](OC)O[C@]142)[C@@H]3O[Si](C)(C)C(C)(C)C 216491689 PNVFTWSZFBATNB-ZLASQFJDSA-N 495.733 5.210 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Cl)c(Cl)c3)n2-c2ccccc2)cc1 2344182 PWPXDPBTUUROAQ-MZJWZYIUSA-N 496.423 5.792 50 50 JKGA CCc1ccc(OCC(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 4258651 QAYASHKFGCXJRS-RDRPBHBLSA-N 452.510 5.151 50 50 JKGA CC/C(=N\NC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(Br)s1 8455902 IIPNFQCFFVYNGA-KEBDBYFISA-N 462.221 6.576 50 50 JKGA CCOc1ccc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3)N=C(O)[C@@H]2C(=O)OC)cc1 16956845 ZGGQNSGYMAMCAE-WOJBJXKFSA-N 456.951 5.250 50 50 JKGA Cc1nc(C)c(C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1C(=O)N/N=C/c1ccc(C(C)C)cc1 19800789 AYAVTBVLNQPYAW-RVSCTIAXSA-N 483.616 5.473 50 50 JKGA CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2cccc(Cl)c2C)C2=C1C(=O)CCC2 2520946 RKLDHDWPKQBCMJ-HXUWFJFHSA-N 456.036 6.127 50 50 JKGA COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1cccc(Br)c1 2521665 VBLHLIRTJBMNNA-DHRITJCHSA-N 487.737 5.094 50 50 JKGA O=C(N/N=C/c1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccc(Cl)cc1 2530347 ZRCRSWJNLRQVTB-IPPBACCNSA-N 497.765 6.783 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 2597260 PWBQTXKYCFYIKG-RPPGKUMJSA-N 463.748 5.998 50 50 JKGA CCCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc(OC)c3)c3ccccc3n2)cc1 2759808 KPVLRUNQNBCYPJ-VUTHCHCSSA-N 453.542 5.853 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 3666029 VLPCKRKOSZBLJJ-HSZRJFAPSA-N 499.596 5.348 50 50 JKGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 4259128 COKBGDUDUWRWIM-OJPXDDBDSA-N 472.928 5.630 50 50 JKGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc4ccccc4c3)cc2)c1 4335672 WNADMHLOBPVSAB-CJHIPLPSSA-N 452.510 5.285 50 50 JKGA COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)[nH]c2c1 16425087 UQTXJWAZPGIAJQ-IUXPMGMMSA-N 490.903 5.785 50 50 JKGA CCc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)nc2-c2ccc(OC)cc2)cc1 20192436 NPUHJJYBIDQKPZ-JJIBRWJFSA-N 462.553 5.715 50 50 JKGA Cc1ccccc1COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OC(C)C)cc4)c32)c1 20418650 OGGZZMMSFFQNMF-AREMUKBSSA-N 492.579 5.970 50 50 JKGA C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1 101013032 KDDJRVWYKRVQRL-UHFFFAOYSA-N 455.561 7.112 50 50 JKGA O=C(NNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)Nc1ccc(Cl)cc1 659752 OWASLFAMVSQGID-UHFFFAOYSA-N 495.764 5.784 50 50 JKGA CCOc1ccc([C@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CC(C)(C)C3)cc1 2573757 DKNGUFRGOWEHED-VWLOTQADSA-N 498.652 5.838 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2585005 RURFNIUEJIBZDL-UVHMKAGCSA-N 491.758 6.029 50 50 JKGA O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4261070 AFSSHRIPFXEYPB-UXHLAJHPSA-N 468.484 5.241 50 50 JKGA Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NNC(=O)NC34CC5CC(CC(C5)C3)C4)cc12 16346098 KZOSANDXCBLHOV-UHFFFAOYSA-N 470.617 5.219 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1 2075524 DPENKDWYVZYBLI-VULFUBBASA-N 457.313 5.375 50 50 JKGA O=C(CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Cl)OCc1ccccc1 2559971 SPNFCSPOTIXYAL-DEOSSOPVSA-N 477.944 5.183 50 50 JKGA in-vitro COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(-c3cccs3)cs2)cc1 16361804 RKLRCOBYKNJQIG-XMHGGMMESA-N 466.591 6.797 50 50 JKGA N#C/C(=C\c1ccc(Br)cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 16671852 NVTVGEPJJIHWDX-VGOFMYFVSA-N 480.299 5.651 50 50 JKGA CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1sccc1C(=O)OC(C)C 20572742 SQRSDZLTYZQMFY-XNTDXEJSSA-N 477.380 5.410 50 50 JKGA Cc1ccccc1N/C=C(\C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 95511661 FYHSZIZWPCTHRI-RVDMUPIBSA-N 464.344 5.964 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OCCCC)cc2)c(OC)c1 102266987 GFCCZGKOVUVVDH-JBASAIQMSA-N 496.648 6.684 50 50 JKGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)c(OC)c1C 2090601 QVUPSQXNESLKHY-MUFRIFMGSA-N 453.542 5.608 50 50 JKGA O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2566903 OUUMKJRQMVWNFU-LQKURTRISA-N 458.901 5.242 50 50 JKGA CSc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(Cl)c3C)C3=C2C(=O)CC(C)(C)C3)cc1 3663985 BYYIQPMXRIQKON-HSZRJFAPSA-N 464.034 6.311 50 50 JKGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(-c4ccccc4)cc3)cc2)cc1 4229771 KNSSUFAZTUSZAI-FKBXNUFCSA-N 478.548 5.799 50 50 JKGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OCC)c2)cc1 4296054 RVHLCYQOHSXKBI-VUTHCHCSSA-N 490.556 5.013 50 50 JKGA CCCCCCSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N1 20813948 LOPBQHQPSWTUOM-XMMPIXPASA-N 466.050 6.988 50 50 JKGA CCSc1oc(-c2ccco2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97950323 FLBRHGBHHAUUNV-UHFFFAOYSA-N 456.527 5.666 50 50 JKGA Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccc(-c4ccccc4)cc3)cc2)cc1 4330167 AOCUCCVFLMGIMG-NDZAJKAJSA-N 450.538 5.770 50 50 JKGA N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 8439215 LIPWIKXDRPIHKL-CXUHLZMHSA-N 499.195 7.275 50 50 JKGA CCCCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 100370166 ABVVQSUDLXDOAW-OQKWZONESA-N 451.035 8.267 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3OC)[nH]n2)cc1 102302104 SXILHIMFFYRIBV-OASJQLOTSA-N 474.605 6.254 50 50 JKGA CCOc1ccccc1/C=N/NC(=O)c1cc(Br)ccc1OCc1ccccc1 2506288 HNNNITALMGDYGC-MFKUBSTISA-N 453.336 5.191 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 102287736 FPKJKHOICOOKNT-NLRVBDNBSA-N 473.411 6.259 50 50 JKGA CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OC 1775977917 YRZNBUNQDGUXBU-AREMUKBSSA-N 470.525 5.230 50 50 JKGA COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OCc2ccc(C)cc2)cc1 2552991 QOXSYSGTMYSBIJ-AFUMVMLFSA-N 453.336 5.109 50 50 JKGA Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccc(Br)cc2)c1 19833553 QKQAWZZWKYLIJA-JFLMPSFJSA-N 489.373 5.139 50 50 JKGA COC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1 20249732 RVKUAEQFADCTOB-XSFVSMFZSA-N 498.564 5.001 50 50 JKGA N#CC(=C\c1ccc(OCc2ccccc2F)cc1)/C(O)=N/c1nc(-c2ccccc2)cs1 20530455 IDFNTGMFMVAKRO-KGENOOAVSA-N 455.514 6.723 50 50 JKGA O=C(N/N=C/c1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccc(O)cc1O 2543690 OLMYYEVAJPIPJY-XODNFHPESA-N 495.318 5.541 50 50 JKGA O=C(N/N=C/C(Br)=C/c1ccccc1)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 6143214 BNLQYTNRJQORSM-KQYOUDCPSA-N 453.384 5.029 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@@H]2c1cc(Br)cs1 8856273 FWKRXCGEVKPTKA-LJQANCHMSA-N 499.390 5.360 50 50 JKGA O=C(N/N=C\[C@H]1[C@]2(c3ccccc3)[C@H]3C=C[C@@H](C3)[C@]12c1ccccc1)c1ccc2ccccc2n1 252469976 CRUOPDNYDLRRIC-QKWROOPJSA-N 455.561 5.662 50 50 JKGA COc1ccc([C@H]2C(C#N)=C(N)N(c3cc(C(F)(F)F)ccc3Cl)C3=C2C(=O)CCC3)cc1 713500 CUOAHTVMZVYWRK-NRFANRHFSA-N 473.882 5.672 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(Cl)c3Cl)n2-c2ccccc2)cc1 2338095 FVNULZYPMIQAHH-MZJWZYIUSA-N 496.423 5.792 50 50 JKGA O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccccc1OCc1ccc(Cl)cc1 4365478 SXSRTDMLFJGSDN-UXHLAJHPSA-N 470.956 6.262 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2)=C(C#N)[C@H]1c1c[nH]c2ccccc12 9968502 YGCMOMWGVOHKQW-DEOSSOPVSA-N 461.974 5.722 50 50 JKGA CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2cccc(OCc3cccc(Cl)c3)c2)s1 20572760 CASWFOAZNYBTEP-YBFXNURJSA-N 495.000 6.265 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 622834 CIWWZJDSDUQYJX-JOCHJYFZSA-N 489.362 6.181 50 50 JKGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(COc2ccc(Br)cc2)o1 648547 PZWKVSSFZZEERL-FQEVSTJZSA-N 469.335 5.072 50 50 JKGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(OCc2c(F)cccc2Cl)cc1 1089499 OLZDREOHJAIRNX-CPJLOUKISA-N 490.918 5.860 50 50 JKGA aggregator N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 1143741 YPMCANDUEAMNTO-NRFANRHFSA-N 475.759 6.041 50 50 JKGA COc1ccc(/C=N/NC(=O)c2csc3c2CCCC3)cc1COc1ccc([N+](=O)[O-])c(C)c1 2089590 ABOKLFYZIIVWNY-LGJNPRDNSA-N 479.558 5.195 50 50 JKGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc4ccccc4c3)cc2)cc1 4229632 SSYYYZIJAWVJCZ-CJHIPLPSSA-N 452.510 5.285 50 50 JKGA COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccc(C)cc3)oc12 16319344 OUFKEWHZYIEUQN-IWIPYMOSSA-N 495.560 5.941 50 50 JKGA COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 2322097 FBJCULJJKTYBNC-RDRPBHBLSA-N 499.640 5.483 50 50 JKGA CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)s1 2573749 WIFWZTYMILIUMC-NRFANRHFSA-N 471.548 6.369 50 50 JKGA O=C(COc1ccc(Br)c2ccccc12)N/N=C/c1c(Cl)cccc1Cl 2839962 BQRBWILXWKDMHF-AUEPDCJTSA-N 452.135 5.438 50 50 JKGA N#C/C(=C\c1cccc(OCc2c(Cl)cccc2Cl)c1)C(=O)NCc1ccc2c(c1)OCO2 20457142 QETDMTPKICNUNW-GIJQJNRQSA-N 481.335 5.524 50 50 JKGA O=C(NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Nc1nccs1 100855420 BSRJMKSKADCWNU-UHFFFAOYSA-O 499.383 5.863 50 50 JKGA O=C(NN=Cc1ccc(Cl)cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 252680082 VPMXIJNTAVFBRK-UHFFFAOYSA-N 475.979 7.229 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@@H]2c1ccc(Br)s1 4004586 SGOSKVMTJLDHNF-LJQANCHMSA-N 499.390 5.360 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccc(-c2ccccc2)cc1 13239308 PMIDKQXWVANVGB-NDZAJKAJSA-N 476.605 5.994 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 25783459 DRZJEVHKCYGXDQ-ZXAKHJNPSA-N 486.955 5.938 50 50 JKGA CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2c(F)cccc2F)C2=C1C(=O)CCC2 5950080 QSUQLNKJEDPCDZ-FQEVSTJZSA-N 471.598 6.005 50 50 JKGA C/C(=N\NC(=O)c1sc2cc(F)ccc2c1Cl)c1ccc(NC(=O)c2cccnc2)cc1 8456015 BFIRIZGYTUGNMS-XODNFHPESA-N 466.925 5.495 50 50 JKGA COc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)sc2c1 19913121 FWYONNGSAAEGQK-UVHMKAGCSA-N 499.375 6.200 50 50 JKGA Sc1oc(/C=C/c2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101123040 YXAJSNQUWLHUKA-QURGRASLSA-O 464.550 5.753 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3c(Cl)cccc3Cl)[nH]n2)cc1 102302984 JCUBYOTWYSOLKY-OGLMXYFKSA-N 487.431 6.887 50 50 JKGA CC1(C)OC[C@](O)(/C=C/[C@@]23CC[C@@H](CC2=O)C3(C)C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O1 169835051 VZXGFBWDZCKUQR-XDAXWRMMSA-N 452.708 5.233 50 50 JKGA CCCOc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)cc1 2531389 CIXMLTXOCMDALO-NDZAJKAJSA-N 482.536 5.620 50 50 JKGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 4282643 NKEBAMCIJRVATQ-VKLJRCAFSA-N 470.550 5.552 50 50 JKGA Cc1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)c(=O)n(-c2ccccc2)n1C 6148883 VQEWOPFHAZMHRE-VBKFSLOCSA-N 493.350 5.597 50 50 JKGA CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(NNC=O)cc2)c(C(C)(C)CC)c1 19880825 DYCAMLOGHJKOHU-UHFFFAOYSA-N 453.627 5.932 50 50 JKGA CSc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 2248427 DTPRXCGHMHMBPO-WGOQTCKBSA-N 473.627 5.207 50 50 JKGA CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 4282508 OKSFJTCNXDFLJW-RDRPBHBLSA-N 452.510 5.151 50 50 JKGA C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 4282669 HOHHXQZKVISJCT-OJPXDDBDSA-N 472.928 5.630 50 50 JKGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(-c2cccc(OCc3ccc(Cl)cc3)c2)n[nH]1 4528017 BLVAAWPDSGEPPK-XODNFHPESA-N 499.785 6.380 50 50 JKGA C/C(=N/NC(=O)c1ccc2ccccc2c1O)c1cccc(NC(=O)c2csc3ccccc23)c1 13322116 JOFWJOSYTBDSRH-LQNQUEJISA-N 479.561 6.166 50 50 JKGA CC(=O)Nc1ccc(/C=N\NC(=O)c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 33772532 FEVLKSUQBMUHPC-MUXKCCDJSA-N 483.450 5.072 50 50 JKGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc(Br)ccc1O 102284889 QQESXMHYTQICBS-YZSQISJMSA-N 482.463 5.422 50 50 JKGA N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)c(Cl)c3)ccc2[C@@H]1c1ccc(F)c(F)c1 1775975003 AWTBILDQJGOLLI-NRFANRHFSA-N 473.262 5.709 50 50 JKGA CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2cccc3ccccc23)ccc1OC(=O)c1ccccc1 2530560 LHNPXAIEENTXNX-MXEPNMHZSA-N 482.536 5.375 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 2573647 CLEDBSHUOYLHCH-NRFANRHFSA-N 482.462 5.554 50 50 JKGA O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1cccc(Oc2ccccc2)c1 2898045 LFHLRNVLNMQZRC-VUTHCHCSSA-N 452.510 5.587 50 50 JKGA CCCCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 8386856 ZSNSFPMQLBEEBH-HAVVHWLPSA-N 484.621 7.720 50 50 JKGA CC1(C)[C@H]2CCC(=O)[C@@]1(O[Si](C)(C)C)C[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]1(C)C(=O)C2 169832757 IAYJNTIFBXGNIL-YZNATHFASA-N 494.865 7.142 50 50 JKGA CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc5ncccc5c4)ccc32)cc1 1775976850 QPJKSPMZSXCSKV-VWLOTQADSA-N 465.534 5.394 50 50 JKGA CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 2531221 ZMRSRHQBEXMDIV-JVWAILMASA-N 452.938 5.480 50 50 JKGA Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)cc1 2553245 KONUNVIYFCVEKZ-VUTHCHCSSA-N 499.592 5.139 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2C)cc1 4287211 UFDIAQVGTZZCHB-CVKSISIWSA-N 481.346 5.139 50 50 JKGA O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 4372595 DQSNGSAGKXUALT-LQKURTRISA-N 458.901 5.242 50 50 JKGA COC(=O)c1nc(-c2ccccc2)sc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 98048990 MFVSERIQWRFUPZ-UHFFFAOYSA-N 480.549 5.216 50 50 JKGA C=CCOc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 2506282 QCLLGUZVFPOIJZ-JVWAILMASA-N 495.373 5.365 50 50 JKGA O=C(COc1ccccc1)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12 2530462 TXTMPIZDFUAOHQ-LQKURTRISA-N 458.901 5.242 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1ccccc1Cl 2553012 JTARHPLJRCYXPF-ZMOGYAJESA-N 457.711 5.086 50 50 JKGA Cc1ccc(COc2ccc(-c3cc(C(=O)N/N=C/c4c(O)ccc5ccccc45)[nH]n3)cc2)cc1 5324823 XVDINDHLGDTKJK-OCSSWDANSA-N 476.536 5.587 50 50 JKGA C=C[C@]1(C)[C@H]2C=CC[C@H]2[C@]1(O)C1=C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1 169831141 MXHZDGGTRIAMCA-WBKBPONASA-N 470.729 5.781 50 50 JKGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1cc2ccccc2cc1O 2529558 NEHTWUWBUUYPKW-CCVNUDIWSA-N 479.319 5.835 50 50 JKGA Cc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1CSc1cc(Cl)ccc1Cl 2727607 JCSGTDCFNJOSIS-QHCPKHFHSA-N 485.436 6.717 50 50 JKGA O=C(NNC(=S)Nc1cccc2ccccc12)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)F 2792332 BVASGBSIUWNVST-LEWJYISDSA-N 492.555 5.031 50 50 JKGA CC(=O)Nc1sc(/C(C#N)=C/c2cccc(Oc3ccccc3)c2)nc1-c1ccc(C)cc1 9357751 KOTOVSIDJYQRDQ-PXLXIMEGSA-N 451.551 6.933 50 50 JKGA COc1cccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)c1OCC(=O)Nc1ccc(F)cc1 9934913 OHGZYKJKZYWMIG-AQTBWJFISA-N 456.477 5.101 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1ccc(F)cc1 13382298 XJZJGOBZEHFAEK-OGLMXYFKSA-N 493.995 5.668 50 50 JKGA O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)[C@H]1COc2cc3ccccc3cc2O1 16677627 AVCALQNBCMNKPS-KVURCKEDSA-N 467.308 5.697 50 50 JKGA N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(C(F)(F)F)c1)C(=O)NC1CCCCC1 20437055 XJZQPXIADXDNEL-LDADJPATSA-N 462.899 6.294 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C)nnc2-c2ccc(Cl)cc2)cc1 2328427 LGYXFHJLHZIOFZ-JFLMPSFJSA-N 476.005 5.447 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1 2531231 CYAHTAZMLODCEL-RPPGKUMJSA-N 463.748 5.998 50 50 JKGA CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2ccc(C)c(Cl)c2)C2=C1C(=O)CC(C)(C)C2 2542328 IETILPATYLHDNQ-OAQYLSRUSA-N 484.090 6.681 50 50 JKGA C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 4347133 OSZJVJAERLRCRT-HWDKICEFSA-N 491.758 5.784 50 50 JKGA c1ccc(C(=NN=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1 100968084 CUBMHBPOPQJMIL-UHFFFAOYSA-N 456.529 6.617 50 50 JKGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 253369358 BMNIGCHLCRTFRF-HAQGUTEBSA-N 486.366 5.213 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](Br)C(=O)[C@](C)(CCC(=O)O)[C@@H]3CC[C@]12C 257348988 KPIZABGNNPKJMS-QYVAMMHJSA-N 483.531 7.115 50 50 JKGA N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 1189745 VEHIXRZXVGBLQB-FMIVXFBMSA-N 486.380 5.838 50 50 JKGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 2521683 ALHUWXLVKPWDDZ-XODNFHPESA-N 483.330 5.514 50 50 JKGA C/C(=N\NC(=O)c1cccc(Br)c1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 8454009 VUEWJLASIODSHX-VULFUBBASA-N 470.754 5.509 50 50 JKGA COc1cccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1OCc1ccc(Cl)cc1Cl 8853518 YQNLSHNSKHHOAD-GZTJUZNOSA-N 450.325 6.521 50 50 JKGA Cc1ccccc1COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)cc4)c32)c1 20418648 PWYKLJOZEBTIQS-QHCPKHFHSA-N 468.944 5.836 50 50 JKGA COc1ccccc1-c1cc(C(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])c2ccccc2n1 2103761 SQIVBEQXVLRKHY-CTJCDZIUSA-N 452.470 5.248 50 50 JKGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 5314421 SIRJAGAOGMXCGD-MZJWZYIUSA-N 465.340 5.726 50 50 JKGA CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C1C(=O)CCC2 5949775 NCMGZVQDGYWTMA-FQEVSTJZSA-N 466.588 5.382 50 50 JKGA O=C=NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 60272306 XBIIIDIAZYSZBI-UHFFFAOYSA-N 489.125 5.722 50 50 JKGA N#C/C(=C(/S)NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97944175 MVGDJVLLDNECLR-SGEDCAFJSA-O 465.538 5.033 50 50 JKGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1Cl 644048 WGKYBYRSEBQIFJ-QHCPKHFHSA-N 464.949 5.378 50 50 JKGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(OCc2ccccc2F)cc1 718015 NYSGGFRKPIZDPS-AVRWGWEMSA-N 456.473 5.206 50 50 JKGA CCCOc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 2531071 NVNZJIDNOKUCAM-NDZAJKAJSA-N 466.537 5.920 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccc(Cl)cc1 2531191 JWNLQSLDQMNQAE-DHRITJCHSA-N 473.754 5.454 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1 2542584 GBOGKXGINNZOOO-WPWMEQJKSA-N 495.373 5.611 50 50 JKGA CC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2C)cc1 4260629 NGFXYMHJXUZMOA-FEGPCZTRSA-N 485.367 5.829 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C(n1cccc1)=C(C#N)[C@@H]2c1ccc2c(c1)OCO2 12402358 YYRHGGHNJQPUAS-VWLOTQADSA-N 464.525 5.251 50 50 JKGA Cc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3C(F)(F)F)C3=C2C(=O)CCC3)s1 1109796 OQQVEABCQISMAK-IBGZPJMESA-N 463.912 6.034 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccccc1Cl 1142352 NQUJEBDOWZAQEQ-HSZRJFAPSA-N 486.424 5.959 50 50 JKGA CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2ccc(Cl)c(Cl)c2)C2=C1C(=O)CCC2 2520941 BBXIVOVYFAZKOE-LJQANCHMSA-N 476.454 6.390 50 50 JKGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(F)cc3)n2-c2ccc(C)cc2)cc1 9763186 KVYSBPJNOCRPKM-MTDXEUNCSA-N 489.576 5.023 50 50 JKGA CC(/C=N/NC(=O)c1cc(C(=O)N/N=C/C(C)=C/c2ccccc2)c(C)nc1C)=C\c1ccccc1 19800207 KMKWLTQUAQNINI-ZZMSYMSFSA-N 479.584 5.337 50 50 JKGA CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C\c2ccc(COc3cccc(Cl)c3)o2)s1 20572757 XQEOOQNJTGSJSC-GDNBJRDFSA-N 484.961 5.858 50 50 JKGA Cc1c([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)sc2ccccc12 1446007 HXKXITZSPJSTAR-MHECFPHRSA-N 454.599 5.180 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(F)c3)nnc2-c2ccc(Cl)cc2)cc1 2322413 UYVXCLHJORMAMG-MZJWZYIUSA-N 479.968 5.278 50 50 JKGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 4366631 LWDGDAQSKCGQAC-LQCVWJHPSA-N 498.966 6.144 50 50 JKGA C/C(=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2c(c1)C(C)(C)CO2 102295873 ZZXNKYRWDBVDEY-NJNXFGOHSA-N 463.581 6.754 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](Br)C[C@]4(C)[C@@H]3CC[C@@]12C 257348808 IZWHBFBYKQEQAB-IEAASUPKSA-N 467.576 7.842 50 50 JKGA C1=C/C(=C2/C=CC=C2P(c2ccccc2)c2ccccc2)C(P(c2ccccc2)c2ccccc2)=C1 334160148 NFWSAOSQMQZHKR-QNEJGDQOSA-N 496.530 7.456 50 50 JKGA CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccco1 2207043 SYLYMTXJTLMWLY-DEOSSOPVSA-N 499.592 5.356 50 50 JKGA aggregator CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2520012 QIDBNVNLORQFHT-WPWMEQJKSA-N 469.501 5.000 50 50 JKGA O=C(N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1)[C@@H]1COc2cc3ccccc3cc2O1 9948607 LZHDYXVTUYFMRS-GPBZHFFBSA-N 467.308 5.697 50 50 JKGA N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 12273736 CWLINTBHYJYUDK-GXDHUFHOSA-N 468.321 7.349 50 50 JKGA Cc1c(Cl)cccc1N1C2=C(C(=O)CCC2)[C@]2(C(=O)N(C)c3ccccc32)C(C#N)=C1n1cccc1 12372453 AJHBPQNFUBQIGE-GDLZYMKVSA-N 494.982 5.584 50 50 JKGA CC(C)Sc1nnc(N2C(N)=C(C#N)[C@H](c3ccc(C(C)(C)C)s3)C3=C2CCCC3=O)s1 12401682 DDZPOSGAXPAJMW-GOSISDBHSA-N 485.704 5.702 50 50 JKGA CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(Cl)s3)c3cc(C)ccc3n2)cc1 20176978 OTRTZOMCUJQJGR-LQKURTRISA-N 463.990 6.478 50 50 JKGA CC(C)(C)OC(=O)N1CCC(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1 100067206 HZWCNHUDDGTFGK-UHFFFAOYSA-N 460.578 5.628 50 50 JKGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2C)cc1 102295179 KXXYSEWUAXPDAQ-NJZRLIGZSA-N 493.648 5.701 50 50 JKGA CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](C)Cl)CC[C@]4(C)[C@H]3CC[C@]12C 253498842 AAEWZCYGFQHOQA-FKFQZDJYSA-N 477.173 8.855 50 50 JKGA biogenic CC(C)(C)c1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(O)c3)n2-c2ccccc2)cc1 2227275 ZNEZNZJRCMGXQJ-OGLMXYFKSA-N 485.613 5.180 50 50 JKGA O=C(N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1cc2ccccc2cc1O 2520035 MDLXSBAGUHKHNH-KBVAKVRCSA-N 464.496 6.181 50 50 JKGA N#C/C(=C\c1ccccc1/C=C(\C#N)c1ccccc1Br)c1ccccc1Br 2549239 AUVGGBLKLLMPDE-IWGRKNQJSA-N 490.198 7.340 50 50 JKGA N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2801184 XKAPUHWVCILOIV-LDADJPATSA-N 456.851 6.483 50 50 JKGA O=C(Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1Br)c1ccccc1 4230153 MRADANJBVDNVLN-JVWAILMASA-N 473.326 5.585 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3Cl)cc2OCC)cc1 4327289 DOACFWKCRREXHV-JVWAILMASA-N 466.921 5.121 50 50 JKGA Cc1ccc(COc2ccc(-c3cc(C(=O)N/N=C/c4ccc(Cl)cc4Cl)[nH]n3)cc2)cc1 9360976 DLXWBUDZCAXYTE-CCVNUDIWSA-N 479.367 6.035 50 50 JKGA COc1cc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1O 19770400 VUUSIJZLBUZBKI-OYHNWAKOSA-N 465.347 5.048 50 50 JKGA CCCCOc1ccc(/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 22781705 GLSJWWHXUXKOAD-QNGOZBTKSA-N 478.573 7.313 50 50 JKGA C=CCCCCCCCCC(=O)N/N=C/c1ccc(/C=N/NC(=O)CCCCCCCCC=C)cc1 25666179 DXVGKUFPCRQMKO-YESHOFFLSA-N 494.724 7.200 50 50 JKGA CN(C)/C=C(\N(C)C(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97976857 WLQMKMSUBSXKIQ-RMLRFSFXSA-N 465.557 5.113 50 50 JKGA Cc1ccc(SC(Sc2ccc(C)cc2)=C(C#N)NC(=O)c2ccc(Cl)cc2)cc1 238937052 SZLQNKUJTPCOQF-UHFFFAOYSA-N 451.016 6.964 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1)C(N)=C(C#N)[C@H]2c1ccc2c(c1)OCO2 713349 MVFUMKYAFMDOPA-JOCHJYFZSA-N 492.373 5.119 50 50 JKGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1ccccc1C(F)(F)F 2269231 NDDAEDHUDOPEEC-AUEPDCJTSA-N 468.551 5.092 50 50 JKGA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(=O)c1csc(C)c1CC 2853622 KDBFSQDNOJEOGK-UHFFFAOYSA-N 473.645 5.156 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)cc1 4282224 IAWLIXPZODKOCV-YPKLGXIKSA-N 494.975 5.656 50 50 JKGA COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C2CC(C)(C)CC3=O)c(OC)c1 1064875 MOJMWRXAYBUGDE-HSZRJFAPSA-N 463.965 5.298 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3Cl)n2-c2ccc(C)cc2)cc1 1820340 XKVNFNKOPIIFOW-JFLMPSFJSA-N 476.005 5.447 50 50 JKGA COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1 2687376 CCMPDQBMXLDMEM-SZUNRCRHSA-N 486.959 5.747 50 50 JKGA Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 4259865 DPDLMIZIFRAGRR-NDZAJKAJSA-N 492.535 5.128 50 50 JKGA CCOc1cc(/C=N/NC(=O)COc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 4283278 MXQOQOOJTBASMR-OCSSWDANSA-N 488.971 6.000 50 50 JKGA C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1)c1ccc2ccccc2c1 5296745 PMYRWTRTMOBZBJ-COEJQBHMSA-N 460.537 5.963 50 50 JKGA Cc1ccc(COc2ccc(-c3cc(C(=O)N/N=C/c4ccc(C(C)C)cc4)n[nH]3)cc2)cc1 9374586 KMEVMURBSIXTSA-STBIYBPSSA-N 452.558 5.851 50 50 JKGA CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2ccc(C)c(Cl)c2)C2=C1C(=O)CC(C)(C)C2 9982133 RJJMOYFAYWPNEW-NRFANRHFSA-N 484.090 6.763 50 50 JKGA COc1ccc(CCNC(=O)/C(C#N)=C/c2cn(Cc3cccc(C)c3)c3ccccc23)cc1OC 20408127 DSQDXYUGPUDQHG-JJIBRWJFSA-N 479.580 5.281 50 50 JKGA CCCCCCCCCCCCCCCC(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 102316440 HSILLWQIXRLTMM-FEZSWGLMSA-N 499.139 8.850 50 50 JKGA Cc1ccc(Oc2ccc(N3C(=O)[C@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1 169618687 YFBVFRGPUZJOKR-RDGPPVDQSA-N 493.195 5.214 50 50 JKGA CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C[C@@H](C)Cl)CC[C@]4(C)[C@H]3CC[C@]12C 1772491653 QGDQJFKTMDHPQG-RSQTXOBQSA-N 491.200 9.245 50 50 JKGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1 2532230 BAGMWKJXQBABPI-DHRITJCHSA-N 471.738 5.394 50 50 JKGA N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)[C@H]1c1cccs1 12360553 KNGVSUDQTBEJQG-OAQYLSRUSA-N 477.387 5.710 50 50 JKGA CC(C)(C)c1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O 101016165 FBVXVVACURDCMW-UHFFFAOYSA-O 481.640 7.481 50 50 JKGA O=C(O)c1ccc2c(c1)[C@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1ccccc1)N2 229971450 GEQGUCRYYIPLPX-NCIBMYPZSA-N 480.973 6.332 50 50 JKGA CCc1ccc(/C(C)=N/NC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc1 4065170 YOMMTZFPHCWEOQ-LQKURTRISA-N 460.375 6.314 50 50 JKGA O=C(N/C(=C\Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Oc1ccccc1 102618035 UJIXQYJLOIUQLE-YYADALCUSA-O 458.905 5.807 50 50 JKGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cc3ccccc3o2)cc1 4261259 MZTXCRMRVYCSPM-RDRPBHBLSA-N 464.525 5.838 50 50 JKGA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)c2ccccc2)N1 8934308 GSPBIMMFRINBLS-VWLOTQADSA-N 485.634 6.007 50 50 JKGA CCCCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(C)c3OC)c3ccccc3n2)c1 20568623 AGNJDTCPHINPQK-ZCTHSVRISA-N 497.595 6.170 50 50 JKGA O=C1OC(=O)[C@@H]2C(c3ccccc3)=C(c3ccccc3)C(c3ccccc3)=C(c3ccccc3)[C@@H]12 100441786 SDIBWMJFIDQLCK-LOYHVIPDSA-N 454.525 6.538 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 102303776 AAPLOLKAUDQBTF-UQRQXUALSA-N 472.629 7.430 50 50 JKGA CCO[P@@](=O)(C(=O)C(C)(C)C)[C@@](C)(O[Si](C)(C)C)P(=O)(OC(C)C)OC(C)C 169805871 FOKSKSWFILRPCI-DWXRJYCRSA-N 458.545 6.442 50 50 JKGA CC[C@@H](/C=C\[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)Cl)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 254622682 FOQAJGFTDYXPDS-OGMVKXDGSA-N 475.157 9.184 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(N)=C(C#N)[C@@H]2c1ccc(Br)cc1 1022758 VSOVCKIYAJLUMI-NRFANRHFSA-N 466.354 5.529 50 50 JKGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 4372547 YUSYBGIXXZFMRS-RWPZCVJISA-N 464.949 5.520 50 50 JKGA N#CC1=C(N)N(c2sc3c(c2C#N)C2CCN3CC2)C2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1 12428704 ZNGFDLSFINHCJA-OAQYLSRUSA-N 488.016 5.275 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1 13231412 DYUFWEOUISTCPV-NDZAJKAJSA-N 492.604 6.119 50 50 JKGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(-c3ccco3)cs2)cc1 16361739 JOSQXNCICLHLCW-XMHGGMMESA-N 450.523 6.329 50 50 JKGA C=CC[C@@]1(O)[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](CC)[C@H](C)C[C@@H]3[C@H]2C[C@H]1C(OCC)OCC 169830655 WKYJVUOFSCMIMO-ODDLXYKPSA-N 494.833 7.038 50 50 JKGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2553420 BTECOYKGKMQFMH-FDAWAROLSA-N 498.966 6.211 50 50 JKGA CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1 2553616 RCSPVYGKKABEEN-PYWPZVNCSA-N 487.383 5.889 50 50 JKGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3cccc4ccccc34)nc3ccccc32)cc1 13239264 OBNLVMZNSIYKFN-STBIYBPSSA-N 464.594 5.789 50 50 JKGA Cc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)c3c2[C@@H](Br)CCC3)cc1 15769504 HEYJMRQYNLWBEJ-SANMLTNESA-N 455.419 7.378 50 50 JKGA Cc1cc([C@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CC(C)(C)C3)c(C)s1 27550650 GIFVCJCULYCEJB-NRFANRHFSA-N 471.548 6.325 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OCCCC)cc2)cc1 102267180 XYVTWBDNOGZGBG-QUPMIFSKSA-N 466.622 6.676 50 50 JKGA CCCCN(Cc1ccc([N+](=O)[O-])cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 103083072 DSBZFFWTNDRVTF-UHFFFAOYSA-N 469.545 6.106 50 50 JKGA Cc1ccc(C(=O)N/N=C/c2c(OCc3cccc(Br)c3)ccc3ccccc23)cc1 2952229 LETUHTVUZSBVDC-LQKURTRISA-N 473.370 6.254 50 50 JKGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 4209298 VKNHPUOMNBZRKG-VKCXJBQQSA-N 472.541 5.013 50 50 JKGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1 4209432 BRUZFKFQMFIFJP-VULFUBBASA-N 464.930 5.546 50 50 JKGA O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccccc2OCc2cccc3ccccc23)n[nH]1 4527980 NRAMMUZLIVZNPT-OCSSWDANSA-N 464.500 5.712 50 50 JKGA CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C1C(=O)CCC2 5949778 OMYOSDKXDFNNCY-IBGZPJMESA-N 452.561 5.073 50 50 JKGA Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc(C(F)(F)F)c1 20295617 VXGSRQZGFLCWMN-CPNJWEJPSA-N 470.878 6.792 50 50 JKGA Cc1ccc(N/C=C(\NC(=O)C(C)(C)C)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 33354888 HRHONBFZEIARBL-BGABXYSRSA-O 493.611 6.362 50 50 JKGA CCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 102280628 UYLQGDCUUDAXEA-JBASAIQMSA-N 471.085 8.070 50 50 JKGA CCN(CC)C(=NC(=C(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1 257356212 GVVUFBISDCVAMT-UHFFFAOYSA-N 471.368 6.393 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Cl)c3Cl)nnc2-c2ccccc2)cc1 1795741 ZQLLUWMLYWJGLY-MZJWZYIUSA-N 496.423 5.792 50 50 JKGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1cccc(Br)c1 2584976 NAFPJQQHKFJYSD-BRJLIKDPSA-N 492.156 5.739 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 2597700 WSNIPLNFZUOOMC-WPWMEQJKSA-N 450.922 5.502 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(-c3ccccc3)cc2)=C(C#N)[C@@H]1c1sccc1C 2921735 RGDNZTZABXXTKO-SANMLTNESA-N 484.646 6.625 50 50 JKGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 4231357 YGADUGKCFPGBID-RDRPBHBLSA-N 451.526 5.386 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2cc(Cl)ccc2Cl)=C(C#N)[C@@H]1c1cccs1 9600827 IVWAOFSLMYBMSQ-HXUWFJFHSA-N 463.411 5.956 50 50 JKGA O=C(N/N=C/c1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccccc1O 2530384 SOTOQDWMJJRXHB-CCVNUDIWSA-N 479.319 5.835 50 50 JKGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(C)cc2)cc1OC 2553549 WMQPEQINMKZOSD-STBIYBPSSA-N 468.509 5.149 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)c1sc2ccccc2c1Cl 3095162 YANYBOFARNPGSW-VULFUBBASA-N 464.930 5.546 50 50 JKGA CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)CCl)[C@H]3c2ccc(N(C)C)cc2)cc1 1875389759 SRRBJGATPDYNQA-YUEZXFGGSA-N 451.014 5.180 50 50 JKGA CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2ccccc2F)C2=C1C(=O)CCC2 1171749 RFPJMZKPCDIWRU-OAQYLSRUSA-N 453.608 5.866 50 50 JKGA CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C1C(=O)CCC2 2501762 CRSGKIDZAAASLI-IBGZPJMESA-N 452.561 5.073 50 50 JKGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@H](c2ccc(Br)cc2)C2=C1CCCC2=O 2570309 CFFOMRZAWOEXPA-NRFANRHFSA-N 468.782 5.716 50 50 JKGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@@H](C)Oc2cccc3cccnc23)cc1 2934845 MSQRGTMWJGAHMA-NJLKOBJSSA-N 491.551 5.014 50 50 JKGA CCCCCCc1ccc(NC(=S)N[C@@H](NC(=O)CCl)C(Cl)(Cl)Cl)cc1 4558619 BUUCMVTWZAFALX-OAHLLOKOSA-N 459.270 5.147 50 50 JKGA CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(OC(C)C)cc3)nc3ccccc23)cc1 8456037 CCCVMJTZUZPANI-BIZUNTBRSA-N 480.568 5.801 50 50 JKGA COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)[nH]n1 9330041 BNVAKVNFRFHUOV-JFLMPSFJSA-N 460.921 5.082 50 50 JKGA C/C(=N\NC(=O)c1c(O)ccc2ccccc12)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 13322059 IWUXFSULNBIOMF-MUFRIFMGSA-N 457.917 5.605 50 50 JKGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OC(=O)c1ccc(F)cc1 20175851 VBKBYKOSZINBIT-HSZRJFAPSA-N 496.498 5.052 50 50 JKGA O=C(CSCc1ccc(F)cc1Cl)NNC(=S)Nc1ccc(Br)cc1Cl 20435992 PENPUPIGCDVAEP-UHFFFAOYSA-N 497.242 5.146 50 50 JKGA N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@H]1c1cc(Br)cs1 705639 ZODNQRNZCCDKSB-GOSISDBHSA-N 494.336 5.834 50 50 JKGA COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1c(C)cccc1C 20418319 NLRWHFAYPJDYKX-NDENLUEZSA-N 480.486 6.456 50 50 JKGA CSc1oc(-c2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100705214 HWQJOWFLERUCQR-UHFFFAOYSA-N 452.539 5.683 50 50 JKGA O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1cccc(Br)c1 1947407 JHOJOCAYGNNRAH-ZMOGYAJESA-N 488.179 5.555 50 50 JKGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccccc1OCc1ccc(Cl)cc1 2533899 TWASVRRSLNEGHD-UXHLAJHPSA-N 470.956 6.262 50 50 JKGA CCOc1cc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)ccc1OCc1ccc(Cl)cc1 2553619 ORRYDWXBCYDLSK-MUFRIFMGSA-N 480.992 5.970 50 50 JKGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@H](c2ccc([N+](=O)[O-])s2)C2=C1CC(C)(C)CC2=O 12372460 IAXJZKGUPUINSN-HXUWFJFHSA-N 468.966 5.559 50 50 JKGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3cc([N+](=O)[O-])ccc3Cl)nc3ccccc32)cc1 13205389 KKANPWJDSYZHEG-LGJNPRDNSA-N 493.976 5.197 50 50 JKGA C=CCOc1c(I)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC 16319585 QBXDTBCQGADQRN-YBEGLDIGSA-N 476.270 5.227 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1ccccc1 16676332 BBHIKGGLHVYZHK-QFIPXVFZSA-N 457.382 5.894 50 50 JKGA CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2ccccc2[N+](=O)[O-])C2=C1C(=O)CC(C)(C)C2 27550631 JAWYLJLKGYBSGH-FQEVSTJZSA-N 480.615 5.628 50 50 JKGA CCCCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 100370646 LXNYKQDZCTWKCM-RCCKNPSSSA-N 485.480 8.920 50 50 JKGA CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C1C(=O)CC(C)(C)C2 2480043 DGJKBFULHFPUQG-FQEVSTJZSA-N 480.615 5.709 50 50 JKGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(-c4ccccc4)cc3)cc2)c1 4327613 IRFZBEAUGUXNNB-IKQNMSGQSA-N 478.548 5.799 50 50 JKGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1sc2ccccc2c1Cl 19800639 BFORZTSEBIQMGJ-CCVNUDIWSA-N 474.948 6.310 50 50 JKGA CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1ccccc1OC/C=C/c1ccccc1 20549853 GNCLCUKMZRXPHZ-BEEZDSCYSA-N 472.566 5.951 50 50 JKGA CC[C@@H](C)c1ccc(NC(=S)NNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1 20572815 XKNLTBCXEDFTLV-GOSISDBHSA-N 473.598 6.157 50 50 JKGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc(OC)ccc1Br 102284264 WGBRGDNWLRNCSF-OVVQPSECSA-N 496.490 5.725 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OC(=O)c1ccc(Cl)cc1Cl 2553078 SDWJYXKRDVBOGC-LGJNPRDNSA-N 457.313 5.294 50 50 JKGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2C)c1 2553092 WHXCJXHCMXVRQL-AFUMVMLFSA-N 451.320 5.049 50 50 JKGA O=C(Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1Cl)c1ccc(Cl)cc1 2553250 WEJSEYBBOMORRM-RWPZCVJISA-N 463.320 6.130 50 50 JKGA COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccccc1Cl 2584693 YBLCDULZGQQUSN-DHRITJCHSA-N 487.737 5.094 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc4ccccc4o3)cc2OC)cc1 4259755 XPBFJZLXYSZGLN-RDRPBHBLSA-N 486.524 5.603 50 50 JKGA CC(C)(C)c1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc(C(C)(C)C)c1O 100406042 VLUMNMRIKIVFRT-FQEVSTJZSA-N 456.542 5.128 50 50 JKGA CC(C)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc4ccccc34)=C2C#N)cc1 1288556 OODKVORMBFALSI-JOCHJYFZSA-N 455.583 5.674 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)/C=C/c1ccccc1 2542774 PGUXACVIVVJRKX-CGWWLZGUSA-N 469.324 5.385 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/c1cccc(F)c1 13205401 HNTNEIMCDQCLIQ-LGJNPRDNSA-N 452.942 5.120 50 50 JKGA Cc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2sc3cccc(Br)c3c2Cl)cc1 13321881 AMDVSAQNBKBJKR-YSURURNPSA-N 473.783 5.780 50 50 JKGA CCCCCCCCCCCCCCCC(=O)N/N=C/c1c2ccccc2cc2ccccc12 102287611 CNAKWSPQFFCWOM-WGPBWIAQSA-N 458.690 8.924 50 50 JKGA CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](C)Cl)CC[C@]4(C)[C@H]3CC[C@]12C 253498850 AAEWZCYGFQHOQA-LALYPDQCSA-N 477.173 8.855 50 50 JKGA biogenic Cc1ccc(N2C3=C(C(=O)CCC3)[C@@H](c3ccc4c(c3)OCO4)C(C#N)=C2n2cccc2)cc1Cl 1432009 BVXDQPNHNYQTQZ-SANMLTNESA-N 483.955 6.182 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)cc1 2519986 YOMATZZZKDASCQ-OGLMXYFKSA-N 480.948 5.511 50 50 JKGA COc1ccccc1NNC(=O)C(O)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 3205143 XMQPHMTWRQZZIE-UHFFFAOYSA-N 484.396 5.112 50 50 JKGA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4229798 OZFZSIRHSPLHAT-ZKJHFGPLSA-N 491.758 5.784 50 50 JKGA COc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(OCc4ccc(C)cc4)c2)C(C#N)=C(N)O3)cc1 20367390 KJVSEXHOEYHYRS-DEOSSOPVSA-N 464.525 5.191 50 50 JKGA N#C/C(=C/c1c[nH]nc1-c1ccc(Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 20562434 FOAUPOBEZSLNDP-JYRVWZFOSA-N 461.241 5.404 50 50 JKGA CCOC(=O)N/N=C1/C=C2CC[C@@H]3[C@@H]4C[C@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 253503798 ZGBFIPQSPKDRKC-MIUCAGSVSA-N 454.655 6.427 50 50 JKGA biogenic,in-vitro COc1ccc([C@@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CC(C)(C)C3)cc1 714758 PUYBITHZOHIIHC-XMMPIXPASA-N 484.625 5.448 50 50 JKGA Clc1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(Cl)s2)cc1 100855292 HTCZAZGCITZPHG-UHFFFAOYSA-N 491.403 6.736 50 50 JKGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 102295003 BJRZWWCADJSNNE-DFIZXCIYSA-N 477.605 5.012 50 50 JKGA CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C=C([C@@H](O)c2ccccc2)O1 169830898 FBTPHKIEDROKDF-FUDKSRODSA-N 464.795 6.805 50 50 JKGA CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1OC 1775976833 VEAQWOGBKUYXFF-RUZDIDTESA-N 474.488 5.060 50 50 JKGA COc1cccc(CSC2=C(C#N)[C@H](c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N2)c1 8441962 NEHZFWUTFCQGOS-XMMPIXPASA-N 473.623 6.025 50 50 JKGA CC(/C=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)=C\c1ccccc1 9019413 NVHPPUDORORFSI-CYYVMCAHSA-N 475.064 5.781 50 50 JKGA N#CC(NC(=O)Cc1cccc2ccccc12)=C(Sc1ccccc1)Sc1ccccc1 238950564 YRJPHLOJTXGOEJ-UHFFFAOYSA-N 452.604 6.776 50 50 JKGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(-c2ccccc2OCc2ccccc2)n[nH]1 9375317 LQLDIQGKQQCMIE-MZJWZYIUSA-N 465.340 5.726 50 50 JKGA C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4c(=O)[nH]3)ccc2O1 9972311 UOKKRABQNZTVOE-AFDUHFSSSA-N 471.520 5.163 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)c1ccc(O)cc1O 13321553 PZFITMAEVICDJP-MZJWZYIUSA-N 476.330 5.230 50 50 JKGA CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2ccccc2[N+](=O)[O-])C2=C1C(=O)CCC2 27550617 PEVKRGIPNHSBGL-NRFANRHFSA-N 480.615 5.635 50 50 JKGA CC1(C)CC[C@]2(C(=O)NN)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 252510604 APYOKISKLZLBOK-KRGADYIYSA-N 486.741 5.110 50 50 JKGA biogenic CCNC(=S)NNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccc(Br)cc12 2113024 XVTOESDYPDFJMI-UHFFFAOYSA-N 485.451 5.091 50 50 JKGA C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2506390 FKBLXHIUBLDCIZ-SVMUSQEWSA-N 472.928 5.630 50 50 JKGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)C(Oc3ccccc3)Oc3ccccc3)cc2)c1 2543230 VDOBFZSVIZPVRT-TWKHWXDSSA-N 480.520 5.148 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1 4327313 UNINLNQBUTWUSV-RDRPBHBLSA-N 494.975 5.901 50 50 JKGA CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2cccc(Cl)c2C)C2=C1C(=O)CC(C)(C)C2 5949772 TVHNPUZTGGPHNM-NRFANRHFSA-N 484.090 6.763 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@H](CC[C@@H]4[C@H](C)CC[C@H](C)C(C)C)[C@@]34CC[C@]2(C1)OO4 257358607 VGXFJJGBIOGXFM-PDCFPWRDSA-N 472.710 7.413 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2OC)cc1 4229941 OJDOEPKXFOZSCP-OGLMXYFKSA-N 480.948 5.511 50 50 JKGA CC1(C)[C@H](C(=O)NNC(c2ccccc2)(c2ccccc2)c2ccccc2)CC[C@]1(C)C(=O)O 12384098 UAGHCTLZYJNSIP-RBJSKKJNSA-N 456.586 5.126 50 50 JKGA Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(I)cc1 15769334 LPKBHHUKAKLPIY-AQTBWJFISA-N 473.358 5.055 50 50 JKGA CC[C@@H](C)c1ccc(NC(=S)NNC(=O)c2ccc(COc3cc(C)cc(C)c3)o2)cc1 20572824 JZEMBEPRBVVBGT-GOSISDBHSA-N 451.592 5.620 50 50 JKGA CC(C)OC1=C(OC(C)C)[C@@]2(O)C3=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3[C@@H]3CCC[C@@]32C1=O 169834810 CECSOSIKHNLZTA-SYAHEAJDSA-N 462.703 5.499 50 50 JKGA Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3c(F)cccc3Cl)s2)cc1 2357999 WGRZJBMHXMPCRL-LSFURLLWSA-N 467.016 5.174 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)/C=C/c1ccccc1 2543262 LNKFQPWWZHSKGL-CGWWLZGUSA-N 469.324 5.385 50 50 JKGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC 2553734 LFYBVQNLPNPICO-MUFRIFMGSA-N 488.927 5.494 50 50 JKGA Cc1ccc(CSc2nnc(N3C(N)=C(C#N)[C@H](c4ccsc4)C4=C3CCCC4=O)s2)cc1 12447723 ZACXWYLKNAONRF-FQEVSTJZSA-N 491.667 5.505 50 50 JKGA CCn1c(SCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)nnc1-c1ccccc1 2546607 ZKJGLLNXPPQTGL-OGLMXYFKSA-N 465.582 5.514 50 50 JKGA C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3[C@H](Br)C(=O)[C@@]12C 257347775 UBRJOFJFNRMMKB-VUNAMDATSA-N 453.461 6.089 50 50 JKGA N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(Br)c1 680014 SPXHSHLZLPTISC-CLOONOSVSA-N 497.396 5.543 50 50 JKGA Brc1ccc([C@H](Br)[C@@H](Br)c2ccc(Br)cc2)cc1 1586397 QDTHKFDPVVIAGR-KBPBESRZSA-N 497.850 6.784 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3cccc4ccccc34)cc2)cc1 4283193 YDJNAUCLPOLEJL-MXEPNMHZSA-N 482.536 5.375 50 50 JKGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 4287019 ZVPHOOCAUHFPLR-LQCVWJHPSA-N 498.966 6.144 50 50 JKGA O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1I 4335626 RRBAVVSHNINBHG-ZMOGYAJESA-N 490.728 5.288 50 50 JKGA C/C(=N\NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 8455980 ZOKHTWYURUOBOU-VDNXXUHOSA-N 496.822 5.479 50 50 JKGA Cc1ccccc1OCC(=O)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12 2542516 CFTJLHWKKASUDH-MUFRIFMGSA-N 472.928 5.550 50 50 JKGA CCOc1cc(Br)cc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c1O 3001444 NQMFDYWEQMFQCJ-WTFDWONZSA-N 479.374 5.010 50 50 JKGA CCOc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl 4418844 HJBKCGCZXNCKJI-YBFXNURJSA-N 478.379 7.220 50 50 JKGA COc1ccc(Cl)cc1C(=O)N/N=C(/C)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 8453903 RALYCWUOIPEYKN-MBTHVWNTSA-N 470.356 5.337 50 50 JKGA N#CC1=C(n2cccc2)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@H]1c1cccnc1 12360559 GQAGEGLECUPLDJ-QHCPKHFHSA-N 460.459 5.905 50 50 JKGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3c(F)cccc3Cl)nc3ccccc32)cc1 13239342 QLRHQSFHEJVRRT-UVHMKAGCSA-N 466.969 5.428 50 50 JKGA CCCS/C=C(\NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100470972 ZJIYIMCXCCWQDE-RMLRFSFXSA-O 482.609 6.353 50 50 JKGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc(Br)ccc1OC 102284833 ZPHNYOKOFZUFGZ-OVVQPSECSA-N 496.490 5.725 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(n1cccc1)=C(C#N)[C@@H]2c1cccnc1 1431999 KKNWXZAUTNWRMU-DEOSSOPVSA-N 488.513 6.541 50 50 JKGA C/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 20562284 HTARNNOWABQFGZ-AGNNLCJJSA-N 488.031 6.534 50 50 JKGA [CH]1[CH][C]([C]2[CH][CH][CH][C]2P(c2ccccc2)c2ccccc2)[C](P(c2ccccc2)c2ccccc2)[CH]1 140972777 NFWSAOSQMQZHKR-UHFFFAOYSA-N 496.530 6.718 50 50 JKGA CC(C)(C)OC(=O)N[C@@H](CC/C(CCl)=N\OCc1ccccc1)C(=O)OCc1ccccc1 144206680 PNNFUEJDTYIUJA-ZBEKHICHSA-N 474.985 5.215 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]4[C@@]34CC[C@]2(C1)OO4 257347279 CFMKCUWPLCALSC-XWBRNESSSA-N 470.694 7.189 50 50 JKGA CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC(=O)OC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]12 257348401 FGIQVZRHSAAMRL-FBWIMDFRSA-N 456.711 7.424 50 50 JKGA CC1=C(C#N)[C@@H](c2ccccc2Br)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 659084 XULQZEZCUXXSPD-OYHNWAKOSA-N 453.767 5.988 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1)C(N)=C(C#N)[C@H]2c1ccc(F)cc1 713557 DHSDIQVKFDJIBE-OAQYLSRUSA-N 466.354 5.529 50 50 JKGA CC(C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc1 2544321 CVCVWJBGIUKGHX-JFLMPSFJSA-N 495.373 5.321 50 50 JKGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 4259098 KMDHOWUVFBJVQF-VTNSRFBWSA-N 484.571 6.519 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 4259770 XISLRHXASANPOL-WPWMEQJKSA-N 495.373 5.611 50 50 JKGA CC1(C)C2=CC[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]3(C)[C@H](OC(=O)c3ccccc3)C[C@H]1CC2 1501069135 KDHJULUTAGOWIZ-PBNBEQHMSA-N 496.808 8.565 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)c(F)c2)cc1 1775977739 VWLKAPZEYOLQJE-RUZDIDTESA-N 476.479 5.581 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1c(F)cccc1F)C(N)=C(C#N)[C@@H]2c1ccc(C(F)(F)F)cc1 2192621 JGBIPDKSCSWHCD-FQEVSTJZSA-N 473.445 5.924 50 50 JKGA C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 3162164 XZIRETCFMPCIMB-LPCYTTORSA-N 480.564 5.762 50 50 JKGA O=C(N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12)c1cccc(Br)c1 4258540 YJKNHOLSTVDUSU-JVWAILMASA-N 473.326 5.585 50 50 JKGA CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2C)cc1 4260626 NGFXYMHJXUZMOA-SQEMJAKJSA-N 485.367 5.829 50 50 JKGA CCCOc1c(Br)cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OCC 16448845 DDEMEFPYZBUKEB-YVLHZVERSA-N 454.368 6.194 50 50 JKGA COc1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3ccccc3[N+](=O)[O-])c3ccccc32)c1 20274339 COGFJPUKWPAMBN-XMHGGMMESA-N 452.470 5.152 50 50 JKGA O=C(Nc1ccccc1)c1ccccc1SSc1ccccc1C(=O)Nc1ccccc1 29466888 BYTIQZZTIKOEDQ-UHFFFAOYSA-N 456.592 6.991 50 50 JKGA CC1(C)[C@H]2CC[C@@]1(/C=C/[C@](CO)(CCO[Si](C)(C)C(C)(C)C)OCc1ccccc1)C(=O)C2 169837559 YDRJTRSBGFUMIO-PHVHEUBISA-N 472.742 6.298 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)/C=C/[C@@H](C)C(C)C)CC[C@@H]4[C@@]34CC[C@]2(C1)OO4 257347276 CFMKCUWPLCALSC-LXOQQZCYSA-N 470.694 7.189 50 50 JKGA COc1cc(/C=N/NC(=O)COc2cccc(Cl)c2Cl)ccc1OC(=O)/C=C/c1ccccc1 2521952 ZVGJTTWHORELDC-LCCJIDFJSA-N 499.350 5.150 50 50 JKGA O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 2553243 IHZOAFATBFMVEH-RPPGKUMJSA-N 476.747 5.315 50 50 JKGA COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4c(=O)[nH]3)oc12 9223175 SHOBJKJSKWIWNR-XMHGGMMESA-N 485.503 5.595 50 50 JKGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccccc1C 20418646 TWJUCDGLLLXANF-DEOSSOPVSA-N 464.525 5.191 50 50 JKGA O=C1OC(=O)[C@H]2C(c3ccccc3)=C(c3ccccc3)C(c3ccccc3)=C(c3ccccc3)[C@H]12 100441792 SDIBWMJFIDQLCK-KYJUHHDHSA-N 454.525 6.538 50 50 JKGA CC(C)(C)/C(=C/P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1 138822820 QEJWSGVBWKWUKP-OLFWJLLRSA-N 452.518 7.140 50 50 JKGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1c(Cl)cccc1Cl 1821959 QGNANPNVMYOKMX-VULFUBBASA-N 482.396 5.484 50 50 JKGA O=C(COc1ccc(F)cc1)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12 2543089 JCKDVSIEFFMSDS-WKULSOCRSA-N 476.891 5.381 50 50 JKGA COc1ccc2c(Cl)c(C(=O)N/N=C(/C)c3ccc(NC(=O)C(F)(F)F)cc3)sc2c1 20572510 XFISDDGUZGQHEU-KALUYTGESA-N 469.872 5.218 50 50 JKGA C=C1[C@@H](CCO)CC[C@H](C)[C@@]1(C)CC[C@@H](CO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169832080 PAXWLRDUSSIOEC-AXWQWZDISA-N 494.792 5.695 50 50 JKGA CO[C@@H](C(=O)N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1)c1ccccc1 4229724 AQQIPLXDBARKJV-TVYAFPLLSA-N 478.957 5.612 50 50 JKGA CC(C)(C)[C@@H]1CCc2c(C(=O)N/N=C\c3cn(Cc4ccccc4)c4ccccc34)csc2C1 8450953 GNKJTAIDPKPGPC-SQBGJFPKSA-N 469.654 6.666 50 50 JKGA C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccccc1 9013630 JTIJYGZPYPWMSK-ONUIUJJFSA-N 461.978 5.220 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C)cc3)cc2OC)cc1 4282808 GXXAMMOOZGGUEF-MTDXEUNCSA-N 460.530 5.166 50 50 JKGA O=C(N/N=C/c1c(F)cccc1Cl)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1 9360501 XTRVVIQALGOJFE-XODNFHPESA-N 483.330 5.866 50 50 JKGA CCc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1 13239650 NCFPQKAKNGUBJN-JFLMPSFJSA-N 463.006 5.543 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)=C(C#N)[C@@H]1c1ccc(Cl)cc1 20347735 YTLKPFLSSZYAEW-QHCPKHFHSA-N 496.976 5.214 50 50 JKGA COc1ccc(/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1COc1c(F)c(F)cc(F)c1F 32573672 NEABDBOFAZGWMZ-YVLHZVERSA-N 477.435 5.169 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc(C(C)C)cc2)cc1 2531091 HLWXQRLIHIOBSR-FDAWAROLSA-N 480.564 6.020 50 50 JKGA O=C(COc1cccc2ccccc12)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 4282999 RBHOYVBFSRSSPR-KCSSXMTESA-N 478.523 6.240 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(-c3ccccc3)cc2)=C(C#N)[C@H]1c1ccccc1Cl 8934491 ODWFYFZNIBSPKI-MUUNZHRXSA-N 499.035 6.908 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc4ccccc34)n2-c2ccc(C)cc2)cc1 2357547 RDPHTPXMMVYGHS-UXHLAJHPSA-N 491.620 5.947 50 50 JKGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccc(OC(=O)c4ccccc4C)cc3)cc2)cc1 2553478 UWMXJJIEUGMKHC-ZCTHSVRISA-N 478.548 5.866 50 50 JKGA COc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 4210525 HPOKOLCHXRRXKQ-MZJWZYIUSA-N 494.956 5.312 50 50 JKGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1C 4229859 ZMGTXJBFZRQYNT-CCVNUDIWSA-N 492.984 5.920 50 50 JKGA O=C(COc1ccc(Cl)cc1)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 4258668 DFTYROGAGMGSQG-WKULSOCRSA-N 462.908 5.740 50 50 JKGA Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Br)cc3)cc2)cc1 4292726 YTONPUYYYIIYDI-CMPFEXHJSA-N 467.363 5.254 50 50 JKGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OCc4ccc(Cl)cc4)cc3)cc2)cc1 4360503 HFECSWJHAXABQS-FDAWAROLSA-N 498.966 6.211 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)[C@@H]5O[C@H]5[C@H](C)C(C)C)CC[C@H]4[C@@]34CC[C@]2(C1)OO4 257349975 TUUMXOVLVDUNHM-VNTVQWBJSA-N 488.709 6.480 50 50 JKGA Cc1cccc(C(=O)[C@@H](Br)[C@@H](c2ccccc2)C2(C)C(=O)c3ccccc3C2=O)c1 3121959 PSSABAHYGLBCDR-YADHBBJMSA-N 461.355 5.811 50 50 JKGA CO[C@@](F)(C(=O)Oc1ccc([N+](=O)[O-])c(Oc2ccc(C(F)(F)F)cc2Cl)c1)C(F)(F)F 3616906 INGHYYLADOPDNG-HNNXBMFYSA-N 491.699 5.839 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2Cl)=C(C#N)[C@H]1c1ccc(Cl)cc1 16676248 JVLWPTHDRCXADZ-JOCHJYFZSA-N 491.827 6.548 50 50 JKGA COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccc(Cl)cc4)cc3)[nH]n2)c1 17016779 QCQNCALMHAHFAW-RWPZCVJISA-N 490.947 5.090 50 50 JKGA CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1 20175967 BBLFRPCLXHKFDR-NHDPSOOVSA-N 490.943 5.270 50 50 JKGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1cccc(Cl)c1 2530368 CUMKZPFOXKCPJK-ZMOGYAJESA-N 457.711 5.086 50 50 JKGA COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(Cl)cc1 2597735 GPDLQQNXOAHBMJ-LQKURTRISA-N 458.901 5.485 50 50 JKGA COc1cccc(/C=C2/CCCC3=C2OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)c1OC 19841632 CTVLQMQEWOKQLT-DHPXZPKMSA-N 460.530 5.050 50 50 JKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1O 102287640 BWEDLVWYEIFKTJ-SZXQPVLSSA-N 481.519 7.866 50 50 JKGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 718364 RSKXEKMBBJIFPK-AVRWGWEMSA-N 456.473 5.206 50 50 JKGA CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1 2529583 DMXPLFXIIHMYNM-OGLMXYFKSA-N 480.948 5.511 50 50 JKGA CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2ccccc2[N+](=O)[O-])C2=C1C(=O)CCC2 4143546 VBXPUFJFUSBXMM-LJQANCHMSA-N 452.561 5.073 50 50 JKGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)[nH]n1 5297227 LTKYUXLBEJXAOJ-UXHLAJHPSA-N 476.536 5.581 50 50 JKGA CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)ccc1O 9380677 ZIAIKVJYYGBOEC-MZJWZYIUSA-N 495.004 5.085 50 50 JKGA COc1ccc2[nH]c(/C(C#N)=C\c3ccc(OCc4ccccc4F)c(Br)c3)nc2c1 9934935 HPQVNGPUKADKHZ-YVLHZVERSA-N 478.321 6.116 50 50 JKGA C=C[C@](C)(C[C@@H](OCSC)[C@@]1(C)C2=C(CCC2=O)CC[C@@H]1C)/C(=C/C)O[Si](C)(C)C 169830425 WZLKZAXBIAZMEE-AWOJWKECSA-N 450.761 7.126 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1)C(N)=C(C#N)[C@@H]2c1ccc2c(c1)OCO2 713348 MVFUMKYAFMDOPA-QFIPXVFZSA-N 492.373 5.119 50 50 JKGA COc1ccc(-c2csc(/C(C#N)=C/Nc3cc(C(F)(F)F)ccc3Cl)n2)cc1OC 1190840 ONHPFGAAHOKQSO-JLHYYAGUSA-N 465.884 6.476 50 50 JKGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 4347324 LSJAASQHNRSRDC-STBIYBPSSA-N 496.991 5.636 50 50 JKGA CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2ccccc2[N+](=O)[O-])C2=C1C(=O)CC(C)(C)C2 5949766 BSBYYBNHDBYONF-HXUWFJFHSA-N 480.615 5.709 50 50 JKGA CC/C(=N\NC(=O)c1cc(-c2cccc(C)c2)nc2ccccc12)c1ccc(Br)s1 8455941 DIYIBJXGUKJEMB-ZXVVBBHZSA-N 478.415 6.578 50 50 JKGA CCCOc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1 2529570 YYMFOJNZQBOEBS-JFLMPSFJSA-N 471.340 5.765 50 50 JKGA O=C(NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(Cl)Cl 100713619 QFNYTUSMCMJTCB-UHFFFAOYSA-O 484.170 5.505 50 50 JKGA O=C(O)/C=C/c1cccc(/N=C/C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1 2325809622 QBDDDHVDKYJXGH-MDJXPKETSA-O 450.498 5.481 50 50 JKGA N#C/C(=C\c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)Nc1ccc(O)cc1 1186112 FVPBUJYHTGCDJG-GZTJUZNOSA-N 467.294 5.418 50 50 JKGA CCOc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2521784 DMGSJPMNHRGFAN-JFLMPSFJSA-N 471.340 5.304 50 50 JKGA CCOc1cc(/C=N/NC(=O)COc2ccc(CC)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2584670 QSDCAHCACPUMGM-LQKURTRISA-N 480.948 5.049 50 50 JKGA Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)cc1 4302361 SPMJKGGNEXEANN-MAFAOTQISA-N 457.357 5.798 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OCC)c2)cc1 4330182 BTGMVTTVYOVNSO-TURZUDJPSA-N 460.530 5.247 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc4ccccc4c3)cc2)cc1 4347448 AVYXIMCYSKORRG-PAYBXDNHSA-N 482.536 5.375 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(-c2c(Cl)cc(Cl)cc2Cl)o1 5359975 XUOIYAJBURTWFO-GOSISDBHSA-N 483.742 6.515 50 50 JKGA CSc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 13239561 KGGJHLCDVYHRMC-VULFUBBASA-N 481.046 5.702 50 50 JKGA Cc1ccc2nc(-c3ccc(OC(C)C)cc3)cc(C(=O)N/N=C/c3ccc(O)c(O)c3)c2c1 13321401 PJOPWVTULAZKIH-RWPZCVJISA-N 455.514 5.173 50 50 JKGA C=C[C@@](C)(CO[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](OC)[C@]23C(=O)CC[C@@H]2CC[C@@H](C)[C@@]13C 169830437 JCZOIXZBXUZEHN-YRUAHTMTSA-N 450.736 6.364 50 50 JKGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c1 4366162 UXYZIZJNUUQVFH-RWPZCVJISA-N 464.949 5.520 50 50 JKGA C=C1[C@H](CCO)CC[C@H](C)[C@@]1(C)CC[C@@H](CO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169832083 PAXWLRDUSSIOEC-XQEAZIIASA-N 494.792 5.695 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1 722082 CLSTZDMNRVILPD-XMMPIXPASA-N 486.622 5.455 50 50 JKGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccc(Cl)cc4)cc3)n[nH]2)c1 1468807 AXBYEHNEDSGINO-JFLMPSFJSA-N 460.921 5.082 50 50 JKGA O=C(COc1ccccc1Cl)N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1 2391513 RVBPPIOZXVVWOT-UVHMKAGCSA-N 499.375 5.956 50 50 JKGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 2519945 MYWXHPCZJOEFDI-NDZAJKAJSA-N 464.521 5.557 50 50 JKGA COc1cccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c1OCc1c(F)cccc1Cl 20551287 SNQOODNORRWWLJ-PNWWAVQQSA-N 464.924 5.851 50 50 JKGA C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 43761120 FBQBBWRMHQZSMH-SVMUSQEWSA-N 472.928 5.630 50 50 JKGA CN(Cc1ccccc1Cl)N1C(=O)[C@](CCBr)(c2ccccc2)c2ccccc21 71767322 HYRBVKDSYLIFAM-XMMPIXPASA-N 469.810 5.805 50 50 JKGA CC(C)(C)[Si](OCCOc1ccc(Br)cc1)(c1ccccc1)c1ccccc1 230557911 FSPFATCQOPZSIS-UHFFFAOYSA-N 455.468 5.405 50 50 JKGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)c3ccccc3n2)cc1 2090134 JKOFPUPIPLUPKI-UXHLAJHPSA-N 461.521 5.923 50 50 JKGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 2530641 QTNUNOKCTMZPOX-BRJLIKDPSA-N 475.701 5.225 50 50 JKGA COc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1OCc1ccccc1 4210743 YUAZFQONWNEZHC-RDRPBHBLSA-N 453.542 5.446 50 50 JKGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 4230229 LVYZMVDLJVTEKG-IKQNMSGQSA-N 478.548 5.799 50 50 JKGA C[C@]12C[C@H](O[Si](C)(C)C)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(C#N)O[Si](C)(C)C 1772492734 XJMCXAZKIBJUJN-JXFGHYCFSA-N 473.806 6.462 50 50 JKGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1cccc(Cl)c1Cl 1833795 PKIKOBOINKPGKW-VULFUBBASA-N 482.396 5.484 50 50 JKGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1ccccc1Cl 2343045 GIHQHHZCVCKQTR-VULFUBBASA-N 482.396 5.484 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2C)cc1 2553143 CDAJQAIJGLUDTK-JVWAILMASA-N 495.373 5.529 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2Cl)=C(C#N)[C@@H]1c1cccc(C)c1 2921788 LLWPBUQCKZSRAD-QHCPKHFHSA-N 471.409 6.203 50 50 JKGA O=C(CCCCCCCCC(=O)NN=Cc1ccc2c(c1)CCC2)NN=Cc1ccc2c(c1)CCC2 25691643 FOUVZCAFPUVDLK-UHFFFAOYSA-N 486.660 5.385 50 50 JKGA O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(OCc2ccc(Cl)cc2)cc1 2584848 LVRWBTRIWPAGGZ-FDAWAROLSA-N 464.952 6.989 50 50 JKGA CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(OC(C)=O)cc3)cs2)sc2c1CCC2 2849851 HDRLHXPEZGCPJG-FOWTUZBSSA-N 479.583 5.439 50 50 JKGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 4232268 NNRXMUYXGHNSOT-WYMPLXKRSA-N 482.776 5.212 50 50 JKGA CCCc1cc(C(=O)N/N=C/c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cs1 20568890 WZFIZNSJQMJQED-VFLNYLIXSA-N 469.532 6.486 50 50 JKGA Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c2C)ccc1I 22130529 OPERDBZUUPQJOV-PDGQHHTCSA-N 499.327 5.692 50 50 JKGA CCN(CC)C(=O)Nc1c(C)cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1C 101011751 LPVAXMZINYSDJT-UHFFFAOYSA-O 495.627 6.671 50 50 JKGA C[C@H]1C[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@@H]2C[C@@H]1C(=O)[C@@H]1[C@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C 257357180 MNCVCNBVIQWHLW-YGERAUMHSA-N 496.786 5.001 50 50 JKGA COc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1 936793 VMLOUNIDFPUORF-UDWIEESQSA-N 484.371 5.375 50 50 JKGA N#CC1=C(N)Oc2nc(SCc3ccc(Cl)cc3)nc(N)c2[C@@H]1c1ccc(C(F)(F)F)cc1 1430801 OYIGJZIYLAEZGJ-MRXNPFEDSA-N 489.910 5.241 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccc(Cl)cc1 2553496 MBABFIPDOOCVTJ-VULFUBBASA-N 487.781 5.844 50 50 JKGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2ccc(Br)cc2)C2=C1CCCC2=O 3117979 CFFOMRZAWOEXPA-OAQYLSRUSA-N 468.782 5.716 50 50 JKGA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 4360364 UERXRTYPWHKFNY-HWDKICEFSA-N 491.758 5.784 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2)s1)c1ccc2ccccc2c1 8757584 LALFOGLXYCIJOD-LFVJCYFKSA-N 464.641 5.616 50 50 JKGA Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)n1 1193295 YESBIXSTSICRBY-JFLMPSFJSA-N 456.571 5.068 50 50 JKGA O=C(COc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2566877 YPKQUYBQOKCGOG-LQKURTRISA-N 458.901 5.242 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2cc(Cl)ccc2Cl)=C(C#N)[C@@H]1c1cccc(C)c1 2921795 WBTYYYHQYNVWBG-QHCPKHFHSA-N 471.409 6.203 50 50 JKGA CCOc1cccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)c1 1211100 YUKQLVTYCOBMEI-HMMYKYKNSA-N 464.525 5.224 50 50 JKGA CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C1C(=O)CC(C)(C)C2 2520951 DPTZKUVCMMFQAH-OAQYLSRUSA-N 494.642 5.936 50 50 JKGA O=C(N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12)c1ccc(Cl)c(Cl)c1 2532265 BMDBZSVZHVSZAJ-IPPBACCNSA-N 497.765 6.783 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccccc1Cl 2543074 SNMKMCZHXZMSHK-RPPGKUMJSA-N 477.731 5.639 50 50 JKGA CSc1ccc([C@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)cc1 2573697 UYEFBRHCOOLMRS-DEOSSOPVSA-N 486.666 5.915 50 50 JKGA N#CC1=C(N)Oc2c(c(-c3ccco3)nn2-c2ccccc2)[C@@H]1c1ccc(Br)s1 2788895 CKMQUAQOLXRSBR-KRWDZBQOSA-N 465.332 5.174 50 50 JKGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3cccc4ccccc34)cc2)c1 4293311 WPEGIZLYCSESKO-MJDZGMBVSA-N 452.510 5.285 50 50 JKGA O=C(N/N=C/c1ccc(Cl)s1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 8456040 DSBYUPUYACKSGP-WYMPLXKRSA-N 470.779 6.143 50 50 JKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cc(OC)c(OC)cc1OC 102315979 IVFGVUDUTOSPNQ-BYNJWEBRSA-N 476.702 7.424 50 50 JKGA CCOc1ccc(NC(=O)C(=O)N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]23C)cc1 245253747 MNXVBXWQINRGGF-CYBYYCBASA-N 489.616 5.061 50 50 JKGA O=C(Oc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1)c1ccc(Br)cc1 4259726 UPMVBBGAZLMKHQ-JFLMPSFJSA-N 489.325 5.291 50 50 JKGA CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2ccccc2[N+](=O)[O-])C2=C1C(=O)CC(C)(C)C2 16115006 WWGNUGGWMJNASC-FQEVSTJZSA-N 480.615 5.709 50 50 JKGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1 16361806 BQDXLHLOMMESIU-PGMHBOJBSA-N 483.535 5.252 50 50 JKGA CCOC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1ccc(OC)c(COc2ccc(F)cc2F)c1 20169095 UQHISFGLEPPJOV-MHWRWJLKSA-N 498.507 5.336 50 50 JKGA CCOP(=O)(OCC)[C@@](O[Si](C)(C)C)(C(C)C)[P@](=O)(OCC)C(=O)C(C)(C)C 169805865 GRVRDSSQQLJHNZ-WXTAPIANSA-N 458.545 6.301 50 50 JKGA C=C[C@](C)(C[C@@H](OCSC)[C@]1(C)C2=C(CCC2=O)CC[C@@H]1C)/C(=C/C)O[Si](C)(C)C 169830427 WZLKZAXBIAZMEE-LAHATSESSA-N 450.761 7.126 50 50 JKGA COCc1cc(/C=N/NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)ccc1OC 2089787 RWKPQITUONMFJZ-IPPBACCNSA-N 494.378 6.128 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2)cc1 2519937 ZBMDARHMMQNEKN-WPWMEQJKSA-N 450.922 5.502 50 50 JKGA Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccccc3OCc3ccc(Cl)cc3)cc2)cc1 2533940 VKAMWTPXFMHWPY-FDAWAROLSA-N 484.983 6.570 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3cccc4ccccc34)cc2)cc1 4259846 MUVBVXZYCXQHEO-KCUTWZHFSA-N 496.563 5.765 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)c2cccs2)N1 8399645 POQQPPFZCNBEEA-QFIPXVFZSA-N 477.636 5.760 50 50 JKGA CCn1c2ccccc2c2cc(NC(=O)CSC3=C(C#N)[C@@H](c4ccccc4F)CC(=O)N3)ccc21 8973250 VGFPKMRXUBHBLZ-HXUWFJFHSA-N 498.583 5.664 50 50 JKGA CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1 1144912 SXBGIDFSYQYWNC-HSZRJFAPSA-N 450.922 5.132 50 50 JKGA CCOc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccccc1 2565217 UGTGXELZUOAYOI-AJBULDERSA-N 494.547 5.501 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 2573756 VLPCKRKOSZBLJJ-QHCPKHFHSA-N 499.596 5.348 50 50 JKGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)C(Oc2ccccc2)Oc2ccccc2)cc1 4210025 BJPSYSDRSHFMFA-TXDQTLNWSA-N 492.531 5.240 50 50 JKGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OCc3ccccc3Cl)[nH]n2)cc1 9330037 HWYNUCCRVAJTOA-JFLMPSFJSA-N 460.921 5.082 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1cccs1 9427436 GUAZPTUMXUWNHZ-BUVRLJJBSA-N 468.007 5.282 50 50 JKGA N#C/C(=C\c1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 15658936 YGKSCOZNDWVDCK-HAVVHWLPSA-N 463.541 5.994 50 50 JKGA CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2)ccc1OC(=O)c1ccccc1Cl 20175874 YFMWPRPDZPMTAY-XSFVSMFZSA-N 490.943 5.190 50 50 JKGA CCSC(=NC(=O)c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 409415923 MYPRJSUJRVBCFB-UHFFFAOYSA-N 455.563 5.662 50 50 JKGA CC1=C(C#N)[C@@H](c2ccc(OCc3ccc(Br)cc3)cc2)C2=C(CC(C)(C)CC2=O)N1 627230 ZWBRRFYWTYGCCP-XMMPIXPASA-N 477.402 6.156 50 50 JKGA CCOc1ccc(-n2c(SCC(=O)N/N=C/C(C)=C/c3ccco3)nnc2-c2ccccc2)cc1 1836846 PNJJULXZRJGQRA-CNBHOGIUSA-N 487.585 5.224 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(N)=C(C#N)[C@H]2c1cccs1 2188855 RTOWTUBPCFBMSN-NRFANRHFSA-N 460.628 5.501 50 50 JKGA CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c2)cc1 2542698 WUUPVQWJYGQCDW-MZJWZYIUSA-N 487.339 5.384 50 50 JKGA COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)c(Br)c2)cc1 6645147 AFNINXLJNNMQNT-NDENLUEZSA-N 495.348 5.399 50 50 JKGA Cc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)N(c2ccccc2)c2ccccc2)=C1C#N 9374198 IQYRZJMBFWNOLJ-QHCPKHFHSA-N 453.567 5.432 50 50 JKGA CCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)[nH]n1 9374927 YCCIOALULIOJDY-LQKURTRISA-N 474.948 5.472 50 50 JKGA COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C(C)=O)cc2)c1OC/C=C/c1ccccc1 20310758 BRQAWQKGJREOJZ-QSCRVUTISA-N 452.510 5.536 50 50 JKGA O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N/N=C/c1ccc(-c2ccccc2)cc1 2223294 QLEHVSURMOWEII-NDZAJKAJSA-N 490.588 5.295 50 50 JKGA CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 2575860 VSRFWGDBKQARFN-MZJWZYIUSA-N 473.356 5.500 50 50 JKGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3)cc2OC)cc1 4230124 PTTVXJISXRKZCN-UXHLAJHPSA-N 497.551 5.094 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl 4292575 IEEHLZFZNARCDF-UVHMKAGCSA-N 491.758 6.029 50 50 JKGA N#C/C(=C/c1cccc(I)c1)c1nc2cc(C(F)(F)F)ccc2s1 33757786 GEZGQXOLHNZMLV-WDZFZDKYSA-N 456.230 5.984 50 50 JKGA O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccc(F)cc3)Nc3c(Cl)cccc3[C@@H]2[C@H]1Cl 252427914 KBFKAEYOXGRGEG-GXPUJQSHSA-N 489.399 7.426 50 50 JKGA CC(C)(C)c1ccc(C(=O)N/N=C/c2cn(Cc3c(F)cccc3Cl)nc2-c2ccccc2)cc1 2100673 ZLHRIWZSOXMCBJ-WCMJOSRZSA-N 488.994 6.452 50 50 JKGA CCCCCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 2906446 KMZPNVJRNUJDMO-HEHNFIMWSA-N 461.587 6.532 50 50 JKGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3OCc3ccc(Cl)cc3)cc2)cc1 4365453 LXZVNVOXSCVCJS-FDAWAROLSA-N 498.966 6.211 50 50 JKGA CCc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3Cl)C3=C2C(=O)CCC3)s1 6284129 YQUYWLLEWZZACO-FQEVSTJZSA-N 454.939 5.177 50 50 JKGA COc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC(=O)c1ccco1 20228566 YZZAUGYJZVVEDX-NTEUORMPSA-N 490.821 5.725 50 50 JKGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1 2338785 GIATYINSBMPMHD-VULFUBBASA-N 482.396 5.484 50 50 JKGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 4230093 JGIMRMWDTCJEMP-MJDZGMBVSA-N 452.510 5.285 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3Br)cc2)cc1 4261047 LUDZETBNFHQMEA-WPWMEQJKSA-N 495.373 5.611 50 50 JKGA CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2cccc3ccccc23)ccc1OC(=O)c1ccccc1 4283380 LHNPXAIEENTXNX-PAYBXDNHSA-N 482.536 5.375 50 50 JKGA N#CC1=C(n2cccc2)N(c2cccc(F)c2)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 12360563 NFNOPQYKPBTIRK-VWLOTQADSA-N 453.473 5.359 50 50 JKGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 12412751 HKAZHKYHRGNCHI-RUZDIDTESA-N 474.944 6.064 50 50 JKGA C[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95676611 REPFTMOJFHVIBT-GSVOUGTGSA-N 488.025 5.939 50 50 JKGA in-vitro CCCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccccc1 102267480 APMOQMGMFBKQQL-YCPQVAJXSA-N 499.449 6.659 50 50 JKGA CC[C@H](C(=O)c1ccccc1)/C(CCCC(=O)Nc1ccc(Cl)cc1C)=N/NC(=O)CC#N 102308812 LGVBOCWNLHSZQF-VIRLFKAXSA-N 466.969 5.052 50 50 JKGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(C)cc(COc2ccc(Cl)cc2C)c1C 1111359 DKUAPTMWDRPSDN-QHCPKHFHSA-N 452.938 5.099 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1cc(Br)ccc1F 13205641 UFJVKOBKILHUBA-LGJNPRDNSA-N 497.393 5.229 50 50 JKGA COc1ccc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)[C@@](C)(c2ccccc2)CC(C)(C)N4)cc1 1857526088 JPGVZALWTUMGQV-GGXMVOPNSA-N 451.570 5.814 50 50 JKGA O=C(COc1cccc2ccccc12)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 4282281 VTSGRPATXBKDCY-ZCTHSVRISA-N 474.516 5.741 50 50 JKGA CCOc1c(Br)cc(/C=N/NC(=O)[C@H](C)Sc2nc3ccccc3s2)cc1OC 20175448 IEJVSZSYCXXCHO-JHAVZTMOSA-N 494.436 5.097 50 50 JKGA C/C(=N\NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 681645 ISVASGOGDQFDRH-MUFRIFMGSA-N 456.477 5.195 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)c1cccc(Cl)c1 2530370 XRTPUFUUYCCYGV-UXHLAJHPSA-N 498.922 5.542 50 50 JKGA COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1cccc(C(=O)O)c1 4471972 IONBYZCKIIXGRL-JAIQZWGSSA-N 476.916 5.480 50 50 JKGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(Cl)cc3)n2-c2ccccc2)cc1 9554172 NOZZUKUAWUNMBD-WPWMEQJKSA-N 492.004 5.229 50 50 JKGA N#C/C(=C\c1cccc(I)c1)c1nc2cc(C(F)(F)F)ccc2s1 16346943 GEZGQXOLHNZMLV-IZZDOVSWSA-N 456.230 5.984 50 50 JKGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(Cl)cc1Cl 102287940 MUJUBYBMKFWGMU-WPWMEQJKSA-N 456.458 6.261 50 50 JKGA COc1ccccc1/C=C/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 2335284 DFYUUJWCTFJPMK-RANPPGRXSA-N 497.624 5.467 50 50 JKGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc(C(C)C)cc2)cc1 2530341 KWJVMQWEJFJULT-FDAWAROLSA-N 496.563 5.720 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2OC)cc1 4355502 AUOXUNYZVOBFLI-RDRPBHBLSA-N 468.509 5.230 50 50 JKGA Cc1cc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(C(F)(F)F)c2)cs1 20352868 VHEJQECJSDTIFS-NSKAYECMSA-N 452.885 6.072 50 50 JKGA CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2F)cc1 826691988 IRBMUFVGHSCLGS-DEOSSOPVSA-N 462.452 5.189 50 50 JKGA CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2F)cc1 826691989 IRBMUFVGHSCLGS-XMMPIXPASA-N 462.452 5.189 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cc(C(C)C)ccc3C)cc2)cc1 2543105 MSSQIVGHPNRQAF-STBIYBPSSA-N 474.557 5.265 50 50 JKGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCCCC)cc3)cc2)cc1 4259190 KFBUBEVLUPJAMA-ZTKZIYFRSA-N 472.541 5.413 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1cccs1 13895929 UEBYHCNREAXVFO-PCLIKHOPSA-N 482.034 5.590 50 50 JKGA CCO[P@](=O)(C(=O)C(C)(C)C)[C@](C)(O[Si](C)(C)C)P(=O)(OC(C)C)OC(C)C 169805876 FOKSKSWFILRPCI-HFJWLAOPSA-N 458.545 6.442 50 50 JKGA C=C[C@@](C)(CO[Si](C)(C)C(C)(C)C)C[C@@H]1O[C@@H](OC)[C@]23C(=O)CC[C@@H]2CC[C@@H](C)[C@@]13C 169830432 JCZOIXZBXUZEHN-HVKRWMIFSA-N 450.736 6.364 50 50 JKGA CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)c(I)nn2[C@@H]1CCCCO1 203763458 DLOWRBHQNGAXOO-INIZCTEOSA-N 458.416 5.724 50 50 JKGA FS(F)(F)(F)(F)c1ccc(/N=N/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1 258837498 SMQASDXYDRNKCI-NVQSTNCTSA-N 475.486 10.229 50 50 JKGA CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CC(C)(C)C2 2381708 QMOOPJZDZWZRLR-HXUWFJFHSA-N 470.063 6.373 50 50 JKGA COc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(-c4ccccc4)cc3)o2)cc1Cl 2836101 PYRADJIYPFRHGQ-LQKURTRISA-N 460.917 5.805 50 50 JKGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1 1148193 CVUJFFMRHSZHNQ-NRFANRHFSA-N 485.765 5.496 50 50 JKGA O=C(N/N=C/c1cccc(Oc2ccccc2)c1)N/N=C/c1cccc(Oc2ccccc2)c1 2901156 IFYRTEGTSXJSCQ-JUWMQZRYSA-N 450.498 5.938 50 50 JKGA CCc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)cc1 20192439 MLSDGBWCXNIXGO-XQNSMLJCSA-N 466.972 6.360 50 50 JKGA CCCCCCCCCCCCCC(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 102280355 XJVHKGJEFPVIHD-JBASAIQMSA-N 485.068 7.710 50 50 JKGA CCc1ccc([C@H]2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CC(C)(C)C3)s1 1171937 SJUOYOLWNXUNGO-OAQYLSRUSA-N 471.548 6.270 50 50 JKGA C=CCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C)cc1 2532276 RNNSGVVXXNODHB-JVWAILMASA-N 493.357 5.305 50 50 JKGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl)c1ccc(F)cc1 2544097 NZNHPVQBSUBLSP-BRJLIKDPSA-N 475.701 5.225 50 50 JKGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1sc2ccccc2c1Cl 2678456 BWRHYQLMBIGMQB-JFLMPSFJSA-N 456.958 6.171 50 50 JKGA O=C(COc1ccc2ccccc2c1Br)N/N=C/c1cc2ccccc2nc1Cl 4210524 VUGONNQZNXUUMF-BRJLIKDPSA-N 468.738 5.333 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1)c1ccc(-c2ccccc2)cc1 5354429 ZFMVUNBGGMRHRM-NJZRLIGZSA-N 456.549 6.565 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)[nH]n2)cc1 102300488 QBBSJFUATAUUBV-MWAVMZGNSA-N 474.649 6.877 50 50 JKGA N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 2738239 MGDJVRCVWWMNEO-JXAWBTAJSA-N 459.336 6.392 50 50 JKGA CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCCC(C)C 20168613 FSSGHNNOHLBEMJ-WOJGMQOQSA-N 489.037 6.672 50 50 JKGA N#C/C(=C/c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1)c1nc(O)c2ccccc2n1 9972297 YAQKZIBCRNJZEQ-JXAWBTAJSA-N 460.453 5.160 50 50 JKGA O=C(NNC(=O)c1cccc2ccccc12)c1ccc(NC(=O)c2cccc3ccccc23)cc1 727305 FCJUJVGCQICXKD-UHFFFAOYSA-N 459.505 5.320 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)c2ccccc2)N1 874726 USLOJLSLVYGMFJ-XMMPIXPASA-N 471.607 5.699 50 50 JKGA CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1ccccc1Cl 1143001 YSUBQTKXUZBFRZ-QHCPKHFHSA-N 482.005 5.279 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 2543077 CVXYOQIFZLYPNG-WPWMEQJKSA-N 450.922 5.502 50 50 JKGA CSc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 2699856 HPTDUJGANVULEN-CVKSISIWSA-N 494.045 5.552 50 50 JKGA C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 4302791 UDYDCLRPWIJPCS-LPCYTTORSA-N 480.564 5.762 50 50 JKGA CCc1ccc(OCC(=O)N/N=C/c2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)cc1 2530343 YTEHMMXSOJECHX-UXHLAJHPSA-N 482.536 5.159 50 50 JKGA COc1cc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2597747 BRXBBNGIRCZCMB-RWPZCVJISA-N 480.948 5.220 50 50 JKGA O=C(CCCC[C@H]1CCSS1)NCCCNC(=O)CCCC[C@@H]1CCSS1 14190624 QGUXZRFEKWOQQL-CALCHBBNSA-N 450.761 5.037 50 50 JKGA in-vitro N#C/C(=C\c1cc2ccccc2nc1Cl)c1nc(-c2ccc(Br)cc2)cs1 22780611 WNHHHMLSEOTKCR-MHWRWJLKSA-N 452.764 6.838 50 50 JKGA C1=C(c2ccccc2)Oc2ccccc2[C@H]1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100720653 KVRLYHMITCDMIF-XIFFEERXSA-N 469.544 7.155 50 50 JKGA N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(Br)c1 680016 SPXHSHLZLPTISC-KBMIEXCESA-N 497.396 5.543 50 50 JKGA O=C(N/N=C/c1c2ccccc2cc2ccccc12)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 2520306 MMQYOKSLVQGVFM-ZCTHSVRISA-N 486.531 5.334 50 50 JKGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 2529720 MWZBIQBVBZWGIZ-IPPBACCNSA-N 499.394 6.174 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cc(C)ccc3C(C)C)cc2)cc1 2543107 KSWHPJOSQYGHCQ-STBIYBPSSA-N 474.557 5.265 50 50 JKGA c1ccc(P(Cc2ccccc2CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 2560617 BZDNMSNFLZXRLY-UHFFFAOYSA-N 474.524 6.952 50 50 JKGA COc1cccc(/C=C(/C#N)c2nc3ccccc3s2)c1OCc1c(F)cccc1Cl 8717327 GPUIKWWTRYMJDW-VBKFSLOCSA-N 450.922 6.741 50 50 JKGA COc1ccc(-c2cc(C(=O)N/N=C/c3c[nH]c4ccccc34)c3ccccc3n2)c(OC)c1 8454725 CLDWIAZXNYTUPL-MUFRIFMGSA-N 450.498 5.164 50 50 JKGA N#CCC(=O)N/N=C(\CCCC(=O)Nc1ccc(Cl)cc1Cl)[C@@H](C#N)c1ccc(Cl)cc1 25585841 RCKPEZFBFUIKFG-LOCKMVRZSA-N 490.778 5.449 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(OC)c3)[nH]n2)cc1 102302531 PBDOQBYBAWGPEG-TURZUDJPSA-N 478.593 5.597 50 50 JKGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@H](C)Oc2cccc3cccnc23)cc1 2080234 DJSJUNHMSSLRND-KLHGDHNKSA-N 475.552 5.314 50 50 JKGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3cccc(OCc4ccccc4)c3)cc2)cc1 2513435 OIFIYXDTDOTEEP-NDZAJKAJSA-N 450.538 5.917 50 50 JKGA O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2566851 QXDMCDJJCXWDLE-UXHLAJHPSA-N 484.939 5.755 50 50 JKGA O=C(CSCc1ccc(F)cc1Cl)NNC(=S)Nc1cccc(Cl)c1Cl 20429021 MQJOXSFPMTYCNC-UHFFFAOYSA-N 452.791 5.037 50 50 JKGA CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(C(F)(F)F)c2)cc1 20550279 MDLKQUOMMKLBLY-PXLXIMEGSA-N 464.487 6.953 50 50 JKGA CC1=CC[C@@H]2[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2C)C(=O)[C@H]2C[C@@H]3[C@@H](C(C)C)CC[C@@]3(C)C[C@@H]12 169833949 AXZBLLICBMIZMS-AKXRJQAESA-N 472.830 8.283 50 50 JKGA Cc1ccc(-c2csc(/C(C#N)=C/c3cc4cc(Br)ccc4nc3Cl)n2)cc1 16310882 XJWQVVWPORDCGS-RQZCQDPDSA-N 466.791 7.147 50 50 JKGA COc1ccc(OC)c(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)nc2-c2ccccc2)c1 20228936 KQIKDLGMKLIDGQ-PXLXIMEGSA-N 464.525 5.161 50 50 JKGA Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4[nH]nc(-c5ccc(Cl)cc5)c43)c2)cc1 20367384 WNUXYUDWEZKDMI-HSZRJFAPSA-N 468.944 5.836 50 50 JKGA O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1cc(C2CC2)nc2ccc(Br)cc12 2735653 URZYOEMMIIXOIQ-PGGKNCGUSA-N 472.726 5.021 50 50 JKGA CCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)c(OCC)c1 102281317 YGRLIBTYKLVXKY-QFMPWRQOSA-N 494.676 7.456 50 50 JKGA CC(C)(C)[Si](OC1CCN(c2ccc(Br)cn2)CC1)(c1ccccc1)c1ccccc1 230551924 DPCKRJKWEMCDEY-UHFFFAOYSA-N 495.537 5.390 50 50 JKGA Cc1ccccc1P(c1ccccc1C)[C@@H](C)[C@@H]1CCC[C@@H]1P(c1ccco1)c1ccco1 261364479 OUFDMQFHHZIZJR-DPZBCOQUSA-N 474.521 6.612 50 50 JKGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(COc2ccccc2Br)o1 648656 GAYNAFDEYLLMTJ-FQEVSTJZSA-N 469.335 5.072 50 50 JKGA O=C(CCCC(=O)N/N=C/c1ccc(Cl)cc1Cl)N/N=C/c1ccc(Cl)cc1Cl 1868769 DMLPHPLQJKSBAU-JTZQCBLNSA-N 474.175 5.071 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](Br)C(=O)[C@](C)(CCC(=O)O)[C@H]3CC[C@]12C 257348987 KPIZABGNNPKJMS-QOQLCIQZSA-N 483.531 7.115 50 50 JKGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(OCc2ccccc2F)cc1 718014 NYSGGFRKPIZDPS-BVZFJXPGSA-N 456.473 5.206 50 50 JKGA O=C(Oc1cccc(/C=N/NC(=O)c2cccc3ccccc23)c1)c1ccc(Cl)cc1Cl 2584977 LEIAOVZPSBZYEZ-RWPZCVJISA-N 463.320 6.130 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1)c1ccc([N+](=O)[O-])cc1 2897776 PGKUGQZDOFQRIE-DHRITJCHSA-N 479.901 5.446 50 50 JKGA O=C(Cc1cccc2ccccc12)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 4261110 TYKLBJOYHGZUIJ-BIZUNTBRSA-N 462.524 6.404 50 50 JKGA CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c(Br)cc1OC(C)C 20175491 VRTQMRNRESNESN-XDHOZWIPSA-N 479.374 6.334 50 50 JKGA CC[C@@H](/C=C\[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)Cl)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 257347343 FOQAJGFTDYXPDS-CHSXRVMKSA-N 475.157 9.184 50 50 JKGA CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c2C)sc2c1CCCC2 2296699 FPKJEJUBOVPUSP-QNGOZBTKSA-N 487.625 6.065 50 50 JKGA O=C(NNc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1Cl 2902678 NCCJBHIKEGYCFC-UHFFFAOYSA-N 453.304 6.013 50 50 JKGA CN(C)c1ccc(/C=N\NC(=O)c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 33870610 ZDVHSQBQYFEYQH-MBTHVWNTSA-N 469.467 5.179 50 50 JKGA COc1cccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccco2)C3)c1OCc1ccc(F)cc1 718368 DHULOXQTPVNLCX-SSOJOUAXSA-N 486.499 5.215 50 50 JKGA aggregator CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3OCC)cc2OCC)cc1 4327598 WUJSCTDZXBBZIX-VUTHCHCSSA-N 490.556 5.256 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccccc2Cl)=C(C#N)[C@H]1c1ccccc1Cl 9600828 AUUGNVSHFCZKBV-JOCHJYFZSA-N 457.382 5.894 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccc(Cl)cc1 13942468 DJBDFLDNKPYOEP-OVVQPSECSA-N 476.005 5.529 50 50 JKGA N#C/C(=C\c1cccn1Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 20572568 NQLZYMRIEUVUDX-YBFXNURJSA-N 451.762 5.835 50 50 JKGA C/C(C=O)=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]([C@@](C)(O)CO)[C@@]4(CCC(=O)O)C[C@@]34CC[C@]12C 238774247 XDQDTZXKPKVGKT-ORIXOMOSSA-N 488.709 5.775 50 50 JKGA biogenic COc1cc(/C=N/NC(=O)c2sc3ccccc3c2Cl)ccc1OC(=O)c1ccc(C)cc1 2506512 PRVQMFVBSBBREJ-MZJWZYIUSA-N 478.957 5.855 50 50 JKGA COc1cc(/C=N/NC(=O)COc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1 2544510 GLRCADKVXGMFQH-KKMKTNMSSA-N 493.774 5.764 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccccc1Cl 2565255 CUBLRXTTXHZGTA-DHRITJCHSA-N 487.737 5.094 50 50 JKGA Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccco1)nn2-c1ccccc1 2789675 BSDYTSVTTCBEIB-DEOSSOPVSA-N 474.524 5.153 50 50 JKGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1 4230051 MZVGDXICSXKGQV-PJAVDKHJSA-N 487.339 5.139 50 50 JKGA O=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(COc2ccccc2Cl)o1 20508213 BJBBYCFJSSKAIK-UHFFFAOYSA-N 470.765 5.450 50 50 JKGA CCCCCCCCCCCCCCCC(=O)NNC(=O)CC(=O)Nc1ccccc1C(=O)O 100695681 JXPNCHCWDTVVTE-UHFFFAOYSA-N 475.630 5.342 50 50 JKGA COc1cc(/C=N/NC(=O)c2cccc(C)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2529672 WKRLNNAGWGVXMC-LGJNPRDNSA-N 457.313 5.294 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C(C)C)cc3)cc2)cc1 4261069 YULXZACVOGOFQJ-NDZAJKAJSA-N 488.584 5.737 50 50 JKGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 4282428 LZUQJSOOWQFAMS-AJBULDERSA-N 496.563 5.767 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1O 5359713 JODFFZKOUAOEGG-JVWAILMASA-N 464.978 5.076 50 50 JKGA O=C(CCSCc1ccco1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 1534906 CQBVTZDISUKDSX-UHFFFAOYSA-N 457.939 5.110 50 50 JKGA in-vitro CC(/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)=C\c1ccccc1 1837409 MMTWBCANJADSGL-NCNSZPRUSA-N 481.625 5.849 50 50 JKGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2521977 LLUNYFXPOLIQNO-RPPGKUMJSA-N 477.731 5.395 50 50 JKGA N#C/C(=C\c1ccccc1OCc1cccc(C(F)(F)F)c1)C(=O)Nc1sccc1C#N 20494439 QRZMTANXXQICGB-WOJGMQOQSA-N 453.445 5.763 50 50 JKGA C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C 170173948 PMBZCSBOBLHPSR-UHFFFAOYSA-N 459.001 5.546 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCCC3)C(N)=C(C#N)[C@H]2c1ccsc1 2188818 YUCLAZCCPCNVLQ-JOCHJYFZSA-N 474.655 5.891 50 50 JKGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C1CC(C)(C)CC2=O 2573648 CGUWKVPQKPWMML-QFIPXVFZSA-N 462.937 5.498 50 50 JKGA C[C@H](Oc1cccc2cccnc12)C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 2869647 XJUKHDDTYNAQSY-IXORVSQSSA-N 464.319 5.175 50 50 JKGA CO[C@](F)(C(=O)Oc1ccc([N+](=O)[O-])c(Oc2ccc(C(F)(F)F)cc2Cl)c1)C(F)(F)F 3616909 INGHYYLADOPDNG-OAHLLOKOSA-N 491.699 5.839 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 4292879 DXAQZXQURLZWTH-ZXAKHJNPSA-N 486.955 5.938 50 50 JKGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c2)cc1 4360361 WGTALMYLCOSZOH-PJAVDKHJSA-N 487.339 5.139 50 50 JKGA CC1(C)[C@H]2CC[C@@]13[C@H](Cl)C(=O)[C@H]3C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]1(C)[C@@H](O)C2 216510649 WCMMBNGYLSPLMX-MPTOJCTMSA-N 469.182 6.567 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C(n1cccc1)=C(C#N)[C@@H]2c1ccc2c(c1)OCO2 1432634 ATSLKNNTLZMPJF-SANMLTNESA-N 481.527 5.995 50 50 JKGA CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2cccc(Cl)c2)C2=C1C(=O)CCC2 2520936 SKBPDWNNPWXCFA-OAQYLSRUSA-N 470.063 6.381 50 50 JKGA CCc1ccc2c(Cl)c(C(=O)N/N=C(\C)c3cccc(NC(=O)C(F)(F)F)c3)sc2c1 20213287 QUPNLMYFDHCGNJ-LUOAPIJWSA-N 467.900 5.772 50 50 JKGA C/C(=N\NC(=O)c1cccc(Br)c1)c1cccc(NC(=O)c2ccc(C)s2)c1 20407500 VKPVCAARTMLABO-ZVHZXABRSA-N 456.365 5.225 50 50 JKGA FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI 95719232 NVVZEKTVIXIUKW-UHFFFAOYSA-N 473.998 5.550 50 50 JKGA in-vitro CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]4[C@@]34C=C[C@]2(C1)OO4 257350240 VVDFOIZUJIWFEH-WCSDQGNISA-N 470.694 7.044 50 50 JKGA COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C(C)C)cc3)C3=C(CCCC3=O)N2)cc1 1113122 BKROZZZUGNSFJD-SANMLTNESA-N 487.625 5.620 50 50 JKGA CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccc(N(CC)CC)cc1 2902615 MDWJMNAJQCLKAS-XDQFAZSOSA-N 482.422 5.756 50 50 JKGA Cc1ccc(OCC(=O)N/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1C 4259600 KORWMRLOBLXCCE-OKCVXOCRSA-N 456.517 5.704 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/C(C)=C/c3ccccc3)[nH]n2)cc1 102302574 CHWBSPHNCKCEKD-MKQDGYMMSA-N 458.606 6.635 50 50 JKGA CCCCCCCCCCCCCC(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 102316350 NJGAUQBUSKQKFZ-JBASAIQMSA-N 471.085 8.070 50 50 JKGA Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccncc3)sc2c1 1775977253 SIAGBXIDXCAHRF-OAQYLSRUSA-N 473.941 5.696 50 50 JKGA N#CC1=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 3665045 HJLZVAVZZHHWFW-HSZRJFAPSA-N 485.569 5.102 50 50 JKGA Cc1cc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CC(C)(C)C3)c(C)s1 9981667 IWTQJQIAIVJLOY-NRFANRHFSA-N 482.447 6.068 50 50 JKGA N#CC1=C(S)N[C@](O)(c2ccccc2)[C@@H]([n+]2cccc3cc(Cl)ccc32)[C@H]1c1ccc(F)cc1 20587084 SURHRMXIRQVTFB-KLJDGLGGSA-O 488.995 5.358 50 50 JKGA CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2ccccc2[N+](=O)[O-])C2=C1C(=O)CC(C)(C)C2 27550628 JAWYLJLKGYBSGH-HXUWFJFHSA-N 480.615 5.628 50 50 JKGA c1ccc(P(c2ccccc2)c2cccc3cccc(P(c4ccccc4)c4ccccc4)c23)cc1 95698372 QOXZKPURCFVBRR-UHFFFAOYSA-N 496.530 6.356 50 50 JKGA in-vitro C=CCOc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(OCC)cc3)ccc3ccccc23)cc1 2531806 DVKICEUCDFVABV-AJBULDERSA-N 494.547 5.786 50 50 JKGA O=C(Oc1ccc2ccccc2c1/C=N/NC(=O)c1sc2ccccc2c1Cl)c1ccccc1 4259325 BSYUJGRCCZAZHQ-MUFRIFMGSA-N 484.964 6.691 50 50 JKGA C/C(=N\NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 8455981 ZOKHTWYURUOBOU-MWYGRQNESA-N 496.822 5.479 50 50 JKGA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(F)cc2)N1 8856855 IZKKACACVJWEPK-VWLOTQADSA-N 487.556 5.678 50 50 JKGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccccc1OCc1ccc(Cl)cc1Cl 1128482 GDFCGOZETSTXRW-QFIPXVFZSA-N 469.368 6.023 50 50 JKGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1cccc(Oc2ccccc2)c1 1818059 JHEVGSKVZRXDPR-MFKUBSTISA-N 492.651 5.865 50 50 JKGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1cccc2ccccc12 2341785 FQTSCOUWVHZVMP-MTDXEUNCSA-N 463.566 5.330 50 50 JKGA C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2543931 MFSRFXSLJCUYEU-IXORVSQSSA-N 457.313 5.130 50 50 JKGA Cn1c(SSc2c(-c3ccccc3)c3ccccc3n2C)c(-c2ccccc2)c2ccccc21 2809995 SVUYRLMBOZVTAF-UHFFFAOYSA-N 476.670 8.803 50 50 JKGA biogenic CCCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)cc1 4295805 HWZFQPOIWKQBGD-HHKHRODYSA-N 486.568 5.186 50 50 JKGA N#C/C(=C\Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 9310545 IXNJWCDXMRPDCC-JLHYYAGUSA-N 495.314 5.564 50 50 JKGA COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(C(=O)O)c1 16319936 HJOSNVSFXONRMV-GRSHGNNSSA-N 454.309 6.343 50 50 JKGA COc1ccc(/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)cc1COc1cccc2cccnc12 32573607 MMQBKHFXEVQNNH-UCMJSZAQSA-N 487.559 6.253 50 50 JKGA CCOc1cc(/C=N/NC(=O)COc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccccc1 2531379 ZLDBBMUTEUFVAH-MZJWZYIUSA-N 487.339 5.140 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)c2ccc(F)cc2)N1 8400432 FBFIKAIHLVANCM-SANMLTNESA-N 483.568 5.776 50 50 JKGA N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1)c1ccc(Cl)cc1 16319659 OAPQIAIDURZYRQ-BOPFTXTBSA-N 485.740 6.323 50 50 JKGA CCc1cc(C(=O)N/N=C/c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cs1 20191841 OHPMTYLJVDTLEI-KVSWJAHQSA-N 455.505 6.096 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1)C(N)=C(C#N)[C@H]2c1cccs1 1057083 GUIDHYQEDYMHBJ-IBGZPJMESA-N 454.393 5.451 50 50 JKGA O=C(COc1ccc(Br)cc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2530543 RVHUFZUMVWXXLY-DHRITJCHSA-N 473.754 5.211 50 50 JKGA CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccccc1 2565230 WGORKPFCVCHXDY-MZJWZYIUSA-N 487.339 5.140 50 50 JKGA Cc1ccc(OCC(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1C 4230288 APWHRNGXFHORKX-STBIYBPSSA-N 452.510 5.205 50 50 JKGA C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 4335691 SZCYRXNNZANVNC-HRJIBFCWSA-N 458.945 5.990 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2cccc([N+](=O)[O-])c2)=C(C#N)[C@@H]1c1ccccc1Cl 12250532 HDWKIOSCEGCLTI-QFIPXVFZSA-N 467.934 5.149 50 50 JKGA COc1ccc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)cc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13125037 XARWCCSQQFEXSE-MHWRWJLKSA-N 494.429 6.663 50 50 JKGA O=C(NNC(=S)Nc1ccc(Cl)cc1)c1ccc(COc2ccc3ccccc3c2)o1 20534211 NVOUZKJFHNYBNG-UHFFFAOYSA-N 451.935 5.297 50 50 JKGA O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/C=C\c1ccccc1 33343412 ZZXXGFRJNYJINJ-SWLCNJBHSA-N 461.037 5.391 50 50 JKGA Clc1nc(-c2ccccc2)nc(Cl)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100986434 AVSWYUBCDPDLLX-UHFFFAOYSA-N 486.362 6.070 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCc2ccc(Cl)cc2)N1 754743 FWYPSCHYTBWIEQ-HSZRJFAPSA-N 461.974 6.201 50 50 JKGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1cccc(Cl)c1 2330351 HRWCLCKZDGDZLU-VULFUBBASA-N 482.396 5.484 50 50 JKGA O=C(Oc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1)c1ccc(Cl)cc1Cl 2584987 HSCWYRCERHJOBL-RWPZCVJISA-N 463.320 6.130 50 50 JKGA CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2ccc(Br)cc2)C2=C1C(=O)CCC2 2520953 ZUUGKQQVOIFLIT-LJQANCHMSA-N 486.460 5.927 50 50 JKGA O=C(COc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2521102 NWEJWHSNAMTYKE-WKULSOCRSA-N 493.346 5.895 50 50 JKGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4229735 OVOGBNFKOMNVCV-JZQNQIPCSA-N 490.559 5.890 50 50 JKGA O=C(CCCCCCCC(=O)N/N=C/c1cccc(Cl)c1)N/N=C/c1cccc(Cl)c1 4527637 KQQVIOMEUSLROU-CTVDDJEBSA-N 461.393 5.325 50 50 JKGA CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCl)CC[C@]4(C)[C@H]3CC[C@@]21C 1857525046 QEAJZMPKEHYDQO-GAMQFTFKSA-N 463.146 8.467 50 50 JKGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccccc1OCc1c(F)cccc1Cl 1120800 BYZQABQJYUXEIB-QFIPXVFZSA-N 452.913 5.509 50 50 JKGA C/C(=N\NC(=O)c1ccc(Br)s1)c1cccc(NC(=O)c2ccccc2Cl)c1 8453755 ZXBODZXJIQYTPN-WYMPLXKRSA-N 476.783 5.570 50 50 JKGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccc(Cl)cc4)cc3)[nH]n2)cc1 9360955 UNQRFBZSNGMCOS-LQKURTRISA-N 474.948 5.472 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2Cl)=C(C#N)[C@@H]1c1ccccc1 16676334 CIKBJGDWXBHKCZ-QFIPXVFZSA-N 457.382 5.894 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc([N+](=O)[O-])cc2)=C(C#N)[C@H]1c1ccccc1Cl 16676383 VDKQZQLFKOXFKV-JOCHJYFZSA-N 467.934 5.149 50 50 JKGA C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccccc2F)c1 20158200 CSAPCWKUVKMSQZ-CCVNUDIWSA-N 474.319 5.304 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12 102276465 JOLCLJLXCUIJDG-TWKHWXDSSA-N 479.020 7.303 50 50 JKGA N#CC(C#N)=Cc1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 197321550 VEORKIQKWTUIJN-UHFFFAOYSA-N 452.533 5.875 50 50 JKGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CC(C)(C)C3)cc1OC 713514 SXTRHTXADLIIBK-HSZRJFAPSA-N 497.517 5.663 50 50 JKGA COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)c1 1176517 ZUOHQBRXBVCZDW-UNOMPAQXSA-N 456.571 5.460 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(C)cc2)cc1 2542734 AXWLVMCOZGLPSL-JVWAILMASA-N 495.373 5.529 50 50 JKGA N#CC(C#N)=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[C@@H](C(=O)C2CC2)N2c3ccccc3C=C[C@H]12 239433608 YCTYCODSHQCPSX-KWBMWPQYSA-N 467.572 6.151 50 50 JKGA CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](C)Cl)CC[C@]4(C)[C@@H]3CC[C@]12C 253498852 AAEWZCYGFQHOQA-LZVINIFMSA-N 477.173 8.855 50 50 JKGA biogenic Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C(\C#N)C(=O)Nc1cc(Cl)ccn1 1875389124 CLYUHZNTTTWACU-KPKJPENVSA-N 466.250 5.447 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2OC)cc1 4283158 KLOWXJJALKQLBO-JVWAILMASA-N 466.921 5.121 50 50 JKGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc3ccccc3c2)ccc1OCc1ccc(Cl)cc1 4292747 CFKVXBMVJDXGAU-WMMCOQJOSA-N 488.971 5.998 50 50 JKGA CCCC1CCC(c2ccc(C(=O)NNC(=O)c3ccc(C4CCC(CCC)CC4)cc3)cc2)CC1 8396738 VJHKUDFBPGVBFZ-UHFFFAOYSA-N 488.716 7.909 50 50 JKGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 4259129 COKBGDUDUWRWIM-SVMUSQEWSA-N 472.928 5.630 50 50 JKGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)cc2)cc1 4360645 MITWNGVJZNAKFR-FDAWAROLSA-N 498.966 6.211 50 50 JKGA COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 13943467 RFLVVJOVYZCMPX-ODLFYWEKSA-N 497.511 5.178 50 50 JKGA Cc1ccccc1P(c1ccccc1C)[C@H](C)[C@@H]1CCC[C@H]1P(C(C)(C)C)C(C)(C)C 199829013 KJLGULUIPNNIDJ-ONBPZOJHSA-N 454.619 8.372 50 50 JKGA COc1ccc(OC)c(-c2c([C@@H]3c4ccccc4C(=O)N3CCCl)c3ccccc3n2C)c1 334163470 UBPZQKMVRVCNLX-SANMLTNESA-N 460.961 5.647 50 50 JKGA CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccc(N(CC)CC)cc1 2902617 MDWJMNAJQCLKAS-UJUJBVAOSA-N 482.422 5.756 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@@H]2c1ccc(Br)cc1 8809701 YVNZZTVNKINIQC-NRFANRHFSA-N 493.361 5.298 50 50 JKGA N#CC1=C(n2cccc2)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 12360545 XICMSKDDRKBPES-VWLOTQADSA-N 480.480 5.128 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OCC)cc2)c(OC)c1 102275669 YZMLCJVQYWTRNO-VFCFBJKWSA-N 468.594 5.904 50 50 JKGA CC(C)[Si](O[C@H]1C[C@@]2(CCCC2=O)OC[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C 169833965 GXDXWRLDBWNLRK-ZWEKWIFMSA-N 498.897 8.020 50 50 JKGA COCOC[C@@](C)(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](CO)O[Si](C(C)C)(C(C)C)C(C)C 169837144 IAXGBCYAJFTZOE-JWQCQUIFSA-N 492.890 7.111 50 50 JKGA CC[C@H](Nc1cccc(C)c1)C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1 245241069 WXOCVUQFVXUIIV-QHCPKHFHSA-N 480.406 5.677 50 50 JKGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2cccc3ccccc23)ccc1OC(=O)c1ccc(C)cc1 2506384 SEBYJDTZFAOEFS-UZOOHMMHSA-N 482.536 5.294 50 50 JKGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)c1 2542750 WMZFQDMAKPABCS-RWPZCVJISA-N 464.949 5.520 50 50 JKGA COc1ccc2c(Cl)c(C(=O)NNC(=S)Nc3cccc(C(F)(F)F)c3)sc2c1 2854091 LKAOQTMZPHNUTN-UHFFFAOYSA-N 459.902 5.214 50 50 JKGA CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OCc3ccc(Cl)cc3)[nH]n2)cc1 4527947 SISPMUYHPDKFID-LQKURTRISA-N 473.964 5.139 50 50 JKGA O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1cccc(Br)c1 2543182 MDPMMYHOTZTTIT-ZMOGYAJESA-N 457.711 5.086 50 50 JKGA CCc1ccc([C@@H]2C(C#N)=C(SCC(=O)c3cccc(Br)c3)NC(C)=C2C(C)=O)cc1 2921710 NFVJLQQDFWCEBQ-XMMPIXPASA-N 495.442 5.913 50 50 JKGA Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(OCc4ccccc4)cc3)cc2)cc1 3659909 TYDZZROONSHTPP-NDZAJKAJSA-N 450.538 5.917 50 50 JKGA N#CC1=C(SCCSC2=C(C#N)C3(CCCC3)[C@H](C#N)C(O)=N2)N=C(O)[C@@H](C#N)C12CCCC2 4005786 DPPKPUTXIYZCIS-HZPDHXFCSA-N 492.630 5.264 50 50 JKGA COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl 4066931 CGRFVIPOKOBLND-LICLKQGHSA-N 450.325 6.521 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])c1 4292514 SEIPVYCMEIDSAW-HRJIBFCWSA-N 497.507 5.193 50 50 JKGA FC(F)(F)c1cc(Pc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1 100046663 OTQIBIWGQUJMOM-UHFFFAOYSA-N 458.182 6.391 50 50 JKGA N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(Br)c1 680013 SPXHSHLZLPTISC-DFBJGRDBSA-N 497.396 5.543 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@H]1c1ccc(Br)cc1 1199344 UNLLVALLWGFQGA-HSZRJFAPSA-N 481.415 5.659 50 50 JKGA CC(/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)=C\c1ccco1 2199041 JJKBSCOZJXRVDG-CZESCGABSA-N 471.586 5.442 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 2553791 IALFZWYZVFKAML-STBIYBPSSA-N 458.945 6.235 50 50 JKGA N#CC1=C(n2cccc2)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@@H]1c1cccs1 1432894 IKNZBGNSNKLMHC-QFIPXVFZSA-N 499.945 7.225 50 50 JKGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3cccc4ccccc34)cc2)cc1 4210566 VQRWLIQQXPYJCY-CJHIPLPSSA-N 452.510 5.285 50 50 JKGA CCCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)cc1 4261023 INTJIHQRNNWEQO-STBIYBPSSA-N 494.975 5.440 50 50 JKGA C/C(=N\NC(=O)c1cccc(Br)c1)c1cccc(NC(=O)c2cccc(C)c2)c1 8399909 ZCQAENVTHHZHMS-WGOQTCKBSA-N 450.336 5.164 50 50 JKGA COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)[nH]c2c1 9934934 GAEWBMCBLHGDFI-WQRHYEAKSA-N 453.571 5.855 50 50 JKGA C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3c(=O)[nH]2)cc1 12343897 KAKQYXIOTDTULE-HEHNFIMWSA-N 471.520 5.405 50 50 JKGA CCOC(=O)c1c(NC(=S)NNC(=O)c2csc3c2CC[C@@H](C)C3)sc2c1CCCCC2 20168498 JZYMLFGZTSDBSH-CYBMUJFWSA-N 491.704 5.011 50 50 JKGA CCCCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])o3)c3ccccc3n2)c1 2089807 GCIXBRALKCRGGP-WGOQTCKBSA-N 458.474 5.346 50 50 JKGA COc1ccc2cc(/C=C(\C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)c(Cl)nc2c1 16511483 JNDJBXGPHICVKR-VIZOYTHASA-N 472.784 7.391 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)=C(C#N)[C@H]1c1ccc(Cl)cc1 20347737 YTLKPFLSSZYAEW-HSZRJFAPSA-N 496.976 5.214 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 25782305 OLXYEIRMOZTHJW-OAQYLSRUSA-N 482.462 5.554 50 50 JKGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 102282283 XBZKUQSMNYIUET-RDRPBHBLSA-N 486.012 5.266 50 50 JKGA N#CC1=C(n2cccc2)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 1432018 JOSPFBMXIRYJSX-VWLOTQADSA-N 453.473 5.359 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(C)c3)n2-c2ccc(C)cc2)cc1 1831915 UWPCFQVMVSXZKR-JVWAILMASA-N 455.587 5.102 50 50 JKGA O=C(Oc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1)c1ccc(Br)cc1 4282338 YVEXZLBHMFYGIU-JVWAILMASA-N 473.326 5.585 50 50 JKGA COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCc1ccccc1 4366702 IYQKBZBUBIQZAB-NDZAJKAJSA-N 466.537 5.470 50 50 JKGA Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)c1 25583937 WPOXPMIQNMIEJB-OCSSWDANSA-N 494.986 5.510 50 50 JKGA O=C(c1ccccc1)c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 100701526 PMASOEUIXAIEEE-UHFFFAOYSA-N 457.533 6.412 50 50 JKGA Cc1cc([C@@H]2C(C#N)=C(N)N(c3cccc(Br)c3)C3=C2C(=O)CCC3)c(C)s1 2501759 BVNFRYQRJZISEY-HXUWFJFHSA-N 454.393 5.432 50 50 JKGA O=C(COc1ccc2ccccc2c1)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 2544047 OTHOOXFEMIJIFI-WKULSOCRSA-N 493.346 5.895 50 50 JKGA COc1ccc2nc(/C(C#N)=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)[nH]c2c1 16399723 ATXMHNPWWRTXOW-GDNBJRDFSA-N 480.402 6.355 50 50 JKGA CCOc1ccc(/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 16511816 NNYMQAGFEKHYGT-UYRXBGFRSA-N 450.519 6.533 50 50 JKGA COC(=O)c1cc(C)sc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2F)cc1 20344841 GLRMSLKOWASMOV-LDADJPATSA-N 450.491 5.107 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c(OCC)c1 102271447 PSVZLIYDWLUDLM-TURZUDJPSA-N 473.013 6.549 50 50 JKGA OB(O)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1 169747752 NVPJWLBDGLWXCH-UHFFFAOYSA-N 474.368 7.313 50 50 JKGA in-vitro C=C1[C@@H](OCOC)CC[C@@]2(C)C(=O)C[C@H]3CC=C(O[Si](C)(C)C(C)(C)C)[C@@H](C[C@H]12)C3(C)C 169832910 OWCXUTNBOSESAZ-MCAIBZCSSA-N 462.747 6.879 50 50 JKGA CCOc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1C 2532251 HLHNAUSMYSROTM-CVKSISIWSA-N 481.346 5.139 50 50 JKGA C=CCOc1ccc(Br)c(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 4209545 LYVPQPXHZDNSTC-MFKUBSTISA-N 452.352 5.185 50 50 JKGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 4260796 UKUJZMQYSYOBKO-NXYZXBHKSA-N 457.313 5.130 50 50 JKGA CCCCOc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1 4283374 RTRGNFUYLUNQSI-OGLMXYFKSA-N 480.948 5.267 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1cccc(Br)c1 13231338 MGRBURQFSCNMGI-AFUMVMLFSA-N 479.403 5.090 50 50 JKGA N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccc(F)cc1 15684910 JQDKNOWCMASWAN-XFXZXTDPSA-N 456.227 5.302 50 50 JKGA c1ccc(Nc2oc(-c3ccccc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 100296664 UCRUXUSJZCEZTO-UHFFFAOYSA-N 497.558 6.705 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OCCCC)cc2)cc1 102304097 RRWSWKJGVLXPCN-QFMPWRQOSA-N 494.676 7.456 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)[C@@H]2c1ccc2c(c1)OCO2 1432019 UXQDPTKIPTYMCZ-SANMLTNESA-N 481.527 5.995 50 50 JKGA COc1cc(/C=N/NC(=O)COc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccc(C)cc1 2542532 TUXDESSFMJPGHC-UVHMKAGCSA-N 487.339 5.059 50 50 JKGA CCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 2699777 VUAMAFXTQWDAOV-MTDXEUNCSA-N 485.613 5.274 50 50 JKGA N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)NCc1ccc2c(c1)OCO2 20495132 RTENOMDUTCBLFD-VXLYETTFSA-N 481.335 5.524 50 50 JKGA CC[n+]1c(/C=C/C(C=O)=C/C=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)ccc2ccccc21 685944239 FXBBPTNYIPBYGC-JOLMXEBCSA-N 482.603 7.325 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C(C)C)cc3)n2-c2ccccc2)cc1 2304476 LZFNIQGKCBYOPP-OGLMXYFKSA-N 469.614 5.609 50 50 JKGA C=CCOc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1OC 2506276 QGKUZODPABUIGY-JVWAILMASA-N 495.373 5.365 50 50 JKGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)c1 2571711 VATSACKYLRSPGG-IPPBACCNSA-N 499.394 6.174 50 50 JKGA O=C(N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12)c1ccccc1 2839131 IFQCDNDBMKHQDK-JVWAILMASA-N 459.343 5.945 50 50 JKGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 4282315 WHIOECYFKDDAGZ-STBIYBPSSA-N 488.975 5.511 50 50 JKGA CSC1=C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)NC(c2ccc(C)cc2)=N1 101022452 AFVKIOPJANNVOJ-GDLZYMKVSA-N 495.608 5.189 50 50 JKGA COC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C2CCCC3=O)sc2c1CCCC2 714749 WBDNSKNWWKAWIA-NRFANRHFSA-N 494.016 5.372 50 50 JKGA CC(C)(C)c1ccc(-c2nnc(SCC(=O)N/N=C/c3ccco3)n2-c2ccccc2)cc1 2327600 RZWIZYIRUSPRPS-WGOQTCKBSA-N 459.575 5.067 50 50 JKGA Cc1cc(COc2ccc(Cl)cc2C)c(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1 2743733 PXSSZSHYLQHAGN-VWLOTQADSA-N 477.004 6.295 50 50 JKGA CCc1ccccc1NC(=S)NNC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)cc1 2795313 PAWQXWNRIOUBTN-UHFFFAOYSA-N 477.483 5.016 50 50 JKGA C/C(=N\NC(=O)c1c(-c2c(F)cccc2Cl)noc1C)c1ccc(NC(=O)c2cccnc2)cc1 685874 VZLXJGRCVGNNGD-AMVVHIIESA-N 491.910 5.244 50 50 JKGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CC(C)(C)C3)cc1O 3105467 AXBGBZRILIUNQL-JOCHJYFZSA-N 494.389 5.104 50 50 JKGA CC[C@@]1(C)Cc2ccccc2-c2nc(NNC(=O)Cc3ccccc3)n(CCc3ccccc3)c(=O)c21 16394035 PBUMLWLMJYCCEQ-HKBQPEDESA-N 492.623 5.063 50 50 JKGA Cc1ccc2cc(/C=C(\C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)c(Cl)nc2c1 22780994 DLZUNUGQDCIEED-BUVRLJJBSA-N 463.993 8.051 50 50 JKGA CCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1 102283882 GJYGRYPCCOHKEQ-WGOQTCKBSA-N 493.829 6.522 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2531080 DTTQGCISRFTGPU-JVWAILMASA-N 453.454 5.040 50 50 JKGA O=C(NNC(=S)Nc1cccc2ccccc12)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)F 2792329 BVASGBSIUWNVST-RTWAWAEBSA-N 492.555 5.031 50 50 JKGA CC1(C)/C2=C/C[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]3(C)[C@H](OC(=O)c3ccccc3)C[C@H]1CC2 169833427 KDHJULUTAGOWIZ-QKXIHKCXSA-N 496.808 8.565 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2cc(C(C)C)ccc2C)c1 2531437 WBHXLTHLYVDCTO-KCSSXMTESA-N 494.591 6.328 50 50 JKGA O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2571716 DNDVUYHJZCTNAB-RPPGKUMJSA-N 477.731 5.395 50 50 JKGA CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C1C(=O)CCC2 2891832 DJGRLHFAWPYEQY-FQEVSTJZSA-N 466.588 5.382 50 50 JKGA CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(Br)c1OCc1ccccc1 16426692 NBIDEHMHOKWXKI-UUYOSTAYSA-N 459.343 6.363 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1)c1ccc(C)cc1 25783012 ZEWALWYHVGLRRQ-MTDXEUNCSA-N 458.949 5.772 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccc(O)cc1 55389416 NXCZDYPOTSMWJT-JVWAILMASA-N 464.978 5.076 50 50 JKGA C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 4282829 SGEPSRZIQGCZAX-XMDHKWJTSA-N 492.550 6.629 50 50 JKGA CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C1C(=O)CCC2 5949774 SVXXCVKJPKYLQL-IBGZPJMESA-N 476.454 6.472 50 50 JKGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)c(OCC)c1 102272629 MDBJSFGCSWJMOO-TWKHWXDSSA-N 495.620 5.012 50 50 JKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1OC 102288898 KQHWDGPYKVZXLL-XAYXJRQQSA-N 495.546 8.169 50 50 JKGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 102295297 WZDIMHMSFNFGSY-ZCTHSVRISA-N 491.611 5.385 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(SC)cc3)[nH]n2)cc1 102300500 DOCHCEOVCQYUTR-ZXVVBBHZSA-N 464.635 6.302 50 50 JKGA C/C(=C\C[C@]1(C)CCC[C@@H](C)C1=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169832057 NRWJAFXZCMUZQQ-NYGZTVIUSA-N 476.777 7.075 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)[C@@H]5O[C@H]5[C@H](C)C(C)C)CC[C@@H]4[C@@]34CC[C@]2(C1)OO4 257349976 TUUMXOVLVDUNHM-WZRZIBCPSA-N 488.709 6.480 50 50 JKGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1 1750082 FRRRRSKZKZWXAX-UHFFFAOYSA-N 451.394 5.547 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1c(F)cccc1Cl 13208763 RZUYGDSJIFOHRV-LGJNPRDNSA-N 452.942 5.120 50 50 JKGA COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 13943461 RZFUICVQTGLGLX-NHDPSOOVSA-N 453.542 5.757 50 50 JKGA CCSc1oc(/C=C/c2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101113294 ZEVWPWYFYSLIHF-WCWDXBQESA-N 492.604 6.576 50 50 JKGA C/C(=N\NC(=O)c1sc2cccc(Cl)c2c1Cl)c1cccc(NC(=O)c2cccnc2)c1 17136144 WODZSXQUDKTGKK-XODNFHPESA-N 483.380 6.009 50 50 JKGA C=CC[C@]1(O)[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](CC)[C@H](C)C[C@@H]3[C@H]2C[C@H]1C(OCC)OCC 169830650 WKYJVUOFSCMIMO-VKYUASQFSA-N 494.833 7.038 50 50 JKGA Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 252679915 SXJCUVURJAHEKK-UHFFFAOYSA-N 455.518 5.174 50 50 JKGA CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCl)CC[C@]4(C)[C@@H]3CC[C@]12C 253499854 PRYJZWFEVZHKQI-MFAAEJLFSA-N 477.173 8.857 50 50 JKGA biogenic CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2cccc(Cl)c2C)C2=C1C(=O)CC(C)(C)C2 2381701 CQPQRISRJIPVOS-OAQYLSRUSA-N 484.090 6.681 50 50 JKGA Cc1ccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc23)cc1 2543348 PCUVAIBHSKARPT-MUFRIFMGSA-N 485.927 5.110 50 50 JKGA O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 2553760 BZLFYIYYSZBTQG-ZMOGYAJESA-N 457.711 5.086 50 50 JKGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4210874 CQXDJYPIVXVGEV-QCLOQBNLSA-N 498.966 6.144 50 50 JKGA N#C/C(=C\c1cccc(OC(=O)c2ccccc2Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 20494790 KARGNWJRKCHMEQ-LFIBNONCSA-N 470.834 6.124 50 50 JKGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccc1OCc1c(F)cccc1Cl 1120801 BYZQABQJYUXEIB-JOCHJYFZSA-N 452.913 5.509 50 50 JKGA COc1cc([C@@H]2C(C#N)=C(SCc3ccccc3Cl)NC3=C2C(=O)CCC3)ccc1O 1244495 XIVYPEZCSYGSBG-JOCHJYFZSA-N 452.963 5.417 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(C)c3)cc2OC)cc1 4261250 ZZDAMOVULGDIIJ-MTDXEUNCSA-N 460.530 5.166 50 50 JKGA CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(Cl)cc2)s1 5919322 CESYGPGCVWPBKW-NTEUORMPSA-N 454.939 5.076 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 9019531 WWVQMWGJMUZWAN-AZDFISSRSA-N 488.016 5.804 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/c1ccccc1Cl 13239619 NUAKHQYRBJXXDI-LGJNPRDNSA-N 469.397 5.634 50 50 JKGA C/C(=N\NC(=O)c1c(O)ccc2ccccc12)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 13322057 OKIMUXCHFKFSPB-FJEPWZHXSA-N 492.362 6.259 50 50 JKGA CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)c(C)c1 16701048 PONAOCIMROIFRV-PYCFMQQDSA-N 490.632 7.701 50 50 JKGA O=C(N/N=C/c1cc2ccccc2nc1Cl)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 2521861 UCMOKOTYUXWHPS-VULFUBBASA-N 499.379 5.106 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc(Br)o1 4258711 BYJHSYLKGIPGCN-AFUMVMLFSA-N 463.287 5.178 50 50 JKGA Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)c1 8590261 VFSVKVQMZDJFQX-NBVRZTHBSA-N 450.523 5.778 50 50 JKGA in-vitro O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)cc2)nc2ccc(Br)cc12 8721561 CFMDEOBZJAUEGQ-UHFFFAOYSA-N 483.705 6.445 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(n1cccc1)=C(C#N)[C@]21C(=O)Nc2ccccc21 12402282 PWMYIBCCMKVXQF-LJAQVGFWSA-N 494.982 5.887 50 50 JKGA N#C/C(=C\c1ccc(I)cc1)c1nc(-c2ccc(Br)cc2)cs1 16511552 RSFVBWIUEHBBKE-NTEUORMPSA-N 493.167 6.241 50 50 JKGA O=C(N/C(=C\N1CCCCC1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 100472598 QUYACFNEPBZCQL-GKPLWNPISA-O 491.595 5.695 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2OC)cc1 2531888 RLPIWBDWGZKGCQ-MZJWZYIUSA-N 487.339 5.384 50 50 JKGA C/C(=N\NC(=O)c1ccc(Br)cc1)c1ccc(NC(=S)Nc2ccccc2)cc1 23634213 MEEKLZKGCRKDNV-CVKSISIWSA-N 467.392 5.412 50 50 JKGA COc1ccc(/C=C(\C#N)C(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)cc1 229285946 WBSOGOCKXCLARZ-CHAQYDGHSA-N 473.576 6.425 50 50 JKGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 2530573 JTOGUDAJDOJFSB-RWPZCVJISA-N 499.350 5.550 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2cc(C)ccc2C(C)C)cc1 2543155 LGJLZYPZBUFAKQ-KCSSXMTESA-N 494.591 6.328 50 50 JKGA COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccccc1Cl 2553324 RKTKGGHXGOXCFF-LQKURTRISA-N 458.901 5.485 50 50 JKGA CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1 2584741 CNIIIQJKOOKGRI-JVWAILMASA-N 466.921 5.121 50 50 JKGA CCN(CC)c1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 2893293 IAWXRORZTWXJNB-VWLOTQADSA-N 475.036 6.127 50 50 JKGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2cccc(OCc3ccc(Cl)cc3)c2)[nH]n1 9110734 AKBWHWQHKYQWAT-WKULSOCRSA-N 483.959 5.863 50 50 JKGA CC/C(=N/NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc(C(C)C)cc1 20572518 ZLESBWUYYGWFJE-GDWJVWIDSA-N 455.989 7.223 50 50 JKGA CC(C)(C)[Si](C)(C)OC[C@H]1OC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OCc1ccccc1 169744751 CZGTZYNJABAJPH-ZLNRFVROSA-N 464.795 6.897 50 50 JKGA CCOc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)cc1 2532319 RVRNQGPHEJQDDI-STBIYBPSSA-N 472.928 5.875 50 50 JKGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1C 2571714 GHKKTWVPSOETEY-UVHMKAGCSA-N 471.340 5.359 50 50 JKGA O=C(COc1cccc(Cl)c1)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 4261231 GRGVRBQMIGMQMK-LQKURTRISA-N 458.901 5.242 50 50 JKGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 4283280 IXDZINOCCGQRPX-ABMUTNKWSA-N 484.983 6.504 50 50 JKGA N#C/C(=C/c1cccc2ccccc12)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 8990006 TUOZPVDAKVGPJJ-STZFKDTASA-N 456.526 7.287 50 50 JKGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1 9375325 WYLPOCBWZNGIDO-XODNFHPESA-N 499.785 6.380 50 50 JKGA COc1cc([C@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1O 19770401 VUUSIJZLBUZBKI-NYHFZMIOSA-N 465.347 5.048 50 50 JKGA CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C1C(=O)CC(C)(C)C2 27550706 BGKXJWNPWZWYCK-HXUWFJFHSA-N 480.615 5.709 50 50 JKGA Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(C=C(C#N)C#N)c4nsnc34)cc2)cc1 95100009 METIWNNPHPBEHP-UHFFFAOYSA-N 483.600 7.876 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 102269497 SBGJQZPVEGYYOM-WPWMEQJKSA-N 463.405 6.803 50 50 JKGA CCc1ccc([C@H]2C(C#N)=C(SCC(=O)c3cccc(Br)c3)NC(C)=C2C(C)=O)cc1 2921706 NFVJLQQDFWCEBQ-DEOSSOPVSA-N 495.442 5.913 50 50 JKGA ClP1(Cl)=NP(Cl)(Cl)=NP(Cl)(Cl)=NP(Cl)(Cl)=N1 6827637 PEJQKHLWXHKKGS-UHFFFAOYSA-N 463.548 9.695 50 50 JKGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 4366510 MSBKISAZHKAIIB-QFCVIPEKSA-N 450.538 5.850 50 50 JKGA O=C(NN=Cc1ccccc1OCc1ccc(Br)cc1)c1cccc(Cn2cccn2)c1 245239906 NFOSTPOZFPSGOY-UHFFFAOYSA-N 489.373 5.037 50 50 JKGA COc1cc([C@H]2C(C#N)=C(SCc3ccccc3Cl)NC3=C2C(=O)CCC3)ccc1O 1244494 XIVYPEZCSYGSBG-QFIPXVFZSA-N 452.963 5.417 50 50 JKGA O=C(N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl)c1cc2ccccc2o1 4229736 NOWGRZNIZNZHDW-MZJWZYIUSA-N 474.925 6.284 50 50 JKGA N#CC1=C(n2cccc2)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@@H]1c1cccnc1 12360560 GQAGEGLECUPLDJ-HSZRJFAPSA-N 460.459 5.905 50 50 JKGA COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 16319756 FMTYYBXRIUERFG-NVMNQCDNSA-N 455.297 6.553 50 50 JKGA N#CC1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 713578 LHVRPUGAYUAZIP-HXUWFJFHSA-N 488.853 5.572 50 50 JKGA O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cccc2ccccc12 2543337 YEOPMRMELCFNAM-LQKURTRISA-N 457.917 5.161 50 50 JKGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)cc2)cc1 4209289 AGSLIDSDXSDSRF-VULFUBBASA-N 477.314 5.487 50 50 JKGA CSC1=C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](O)NC(c2ccc(C)cc2)=N1 101022450 AFVKIOPJANNVOJ-LJAQVGFWSA-N 495.608 5.189 50 50 JKGA CCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(C)c2)cc1 102281454 PXNGZZIVERHZAE-WGPBWIAQSA-N 492.704 8.146 50 50 JKGA CO[C@@H]1C[C@@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O 254848727 KUJXAJMABXMSCW-JZIGQKMQSA-N 460.775 7.170 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@H]4[C@@]34CC[C@]2(C1)OO4 257347811 VGXFJJGBIOGXFM-XSUNDOLRSA-N 472.710 7.413 50 50 JKGA N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)c(Cl)c3)ccc2[C@@H]1c1ccc(F)cc1F 826691995 SMVRYHFXNBJDJL-NRFANRHFSA-N 473.262 5.709 50 50 JKGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OCc4ccc(Cl)cc4)cc3)cc2)c1 2388651 XRICFJGVNMIXGA-FDAWAROLSA-N 498.966 6.211 50 50 JKGA CCCCc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1 2521673 XGWQEJYCUFBUER-OGLMXYFKSA-N 464.949 5.431 50 50 JKGA Cc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3Cl)ccc3ccccc23)cc1 2542520 FEVRSQKNQHFNOV-WKULSOCRSA-N 477.347 6.438 50 50 JKGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl)c1cccc(Cl)c1 2584955 HMWOOUQIQKFDKR-BRJLIKDPSA-N 492.156 5.739 50 50 JKGA CCCCN(CC)C[C@@H](/C(C)=N/NC(=O)OC)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 25585206 NFSLTZOYMBCKMZ-KWBIADKASA-N 493.604 5.101 50 50 JKGA CCCOc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 2354579 UYTYPXUVDSWLIX-FSJBWODESA-N 493.079 5.515 50 50 JKGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 2553657 HRXSVDWRJPNRKB-OGLMXYFKSA-N 464.949 5.646 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)cc2)cc1 4259606 FTZSQIBGGUTKNS-TWKHWXDSSA-N 466.537 5.541 50 50 JKGA Cc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1C 4303128 FYCLJELAAIWKFX-UVHMKAGCSA-N 471.340 5.359 50 50 JKGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C1CCN(Cc2ccc(F)cc2Cl)CC1 8456047 KYVAFVPYCQBGHI-OCSSWDANSA-N 479.983 5.420 50 50 JKGA CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)c1cc3n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N3)C2 13959405 FBMLHCJNVNTSAR-RUCBEREHSA-N 477.506 5.615 50 50 JKGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 102289135 OISSPXGPKLZIJB-RDRPBHBLSA-N 472.029 5.626 50 50 JKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/C=C(\CCCCCC)c1ccccc1 102314152 DIHFWMJIGWQOFJ-KTCBFMJVSA-N 496.824 10.404 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)C(Cl)Cl)CC[C@]4(C)[C@H]3CC[C@@]12C 257348372 FAKDDMAOMPFPIR-BZYKBSBVSA-N 499.607 8.823 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccccc1Cl 1142353 NQUJEBDOWZAQEQ-QHCPKHFHSA-N 486.424 5.959 50 50 JKGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2cccc(Cl)c2)cc1 2530314 HSIPJEUNESFCKZ-MUFRIFMGSA-N 488.927 5.250 50 50 JKGA COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OC(=O)c1ccccc1Cl 2584775 GVHLKSGCAXGQEK-RWPZCVJISA-N 474.900 5.191 50 50 JKGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(OCc2ccc(Cl)cc2)c1 2911015 FJXNSJCARAEPMY-JVWAILMASA-N 480.952 5.437 50 50 JKGA N#CC1=C(SCCSC2=C(C#N)C3(CCCC3)[C@@H](C#N)C(O)=N2)N=C(O)[C@H](C#N)C12CCCC2 4005789 DPPKPUTXIYZCIS-HOTGVXAUSA-N 492.630 5.264 50 50 JKGA N#C/C(=C/c1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1nc(-c2cc3ccccc3oc2=O)cs1 16362180 AQVCGVOLORZTLV-PXNMLYILSA-N 467.466 5.279 50 50 JKGA CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCl)CC[C@]4(C)[C@H]3CC[C@]12C 1857525048 QEAJZMPKEHYDQO-OIJJEZOSSA-N 463.146 8.467 50 50 JKGA C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccc(Br)cc1 12342867 OYCYGPAYCLGHLT-PKAZHMFMSA-N 493.430 5.480 50 50 JKGA O=C(CCCCCCCC(=O)N/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 33897203 VNHSYUIZQVLANZ-CTVDDJEBSA-N 461.393 5.325 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](Br)C[C@]4(C)[C@@H]3CC[C@@]12C 257355888 DHZKAQAKUFROMZ-HTFDCONISA-N 465.560 8.050 50 50 JKGA CC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 666930 GCCLCKMGWIQRPL-BTYSJIOQSA-N 480.995 6.804 50 50 JKGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)N2c3c1cccc3[C@@](C)(c1ccccc1)CC2(C)C 2349730 ZWZLNBODSFVKLN-JSOSNVBQSA-N 493.607 5.127 50 50 JKGA C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 2553553 QHNUNHKEJHYGEH-ZKJHFGPLSA-N 491.758 5.784 50 50 JKGA O=C(N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl)c1cccc([N+](=O)[O-])c1 3095204 CTBZJGPDDWCULT-DHRITJCHSA-N 479.901 5.446 50 50 JKGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1 13239319 PBQZEDVYOYTSGZ-UVHMKAGCSA-N 483.424 5.942 50 50 JKGA COc1cc(/C=C(/C#N)c2ccc(F)cc2)cc(I)c1OCc1ccccc1 16399812 YZVKXKLFZCKHAO-ODLFYWEKSA-N 485.296 6.082 50 50 JKGA CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1 20572750 DKMWOQAAUXBHIN-LTGZKZEYSA-N 488.971 6.456 50 50 JKGA O=C(CCCCCCCCCCBr)OCCCCS(=O)(=O)c1ccccc1 25665246 VJMOLVIBHRJSMD-UHFFFAOYSA-N 461.462 5.690 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)c(OC)c1 102282990 ALNAAJNEOHLKRE-JASWRBLTSA-N 478.633 6.685 50 50 JKGA O=C(NN(c1ccccc1)c1ccccc1)c1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cc1 1681437 OFYLAMPTQAQHOI-UHFFFAOYSA-N 498.586 6.653 50 50 JKGA Cc1ccsc1[C@H]1C(C#N)=C(N)N(c2nnc(SC(C)C)s2)C2=C1C(=O)CC(C)(C)C2 12463219 QCFQVGNIWZFJCX-INIZCTEOSA-N 471.677 5.349 50 50 JKGA [N-]=[N+]=NCCCCCCCCCCCSSCCCCCCCCCCCN=[N+]=[N-] 57990032 GIGNSCLNVXDBBG-UHFFFAOYSA-N 456.770 10.010 50 50 JKGA CCSc1oc(-c2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100297317 UIHYPKLYNPFAIN-UHFFFAOYSA-N 466.566 6.073 50 50 JKGA O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2518505 WFVZHVFWWYYKTR-RPPGKUMJSA-N 476.747 5.315 50 50 JKGA COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(=O)c1ccccc1Cl 2569215 PMMXXQFXKYEGRB-WKULSOCRSA-N 494.975 5.529 50 50 JKGA O=C(N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1)c1ccc2ccccc2n1 4210765 KCCGXODSGQXKGF-RWPZCVJISA-N 485.952 6.086 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccccc1Cl)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])s1 12402353 GTCWMJAOHWDPTK-IBGZPJMESA-N 454.939 5.251 50 50 JKGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 102273567 QSXCSDVBVMUMAE-RDRPBHBLSA-N 472.029 5.626 50 50 JKGA CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)NC2=C1C(=O)CCC2 1244467 AUQIHJJALOKFFV-DEOSSOPVSA-N 494.016 5.540 50 50 JKGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 2597690 RZAMMTOQHGOYDY-STBIYBPSSA-N 471.944 5.731 50 50 JKGA COc1ccc(CC(=O)Nc2cccc(/C(C)=N/NC(=O)c3cc(Cl)ccc3Cl)c2)cc1 8399915 REGJHTCYHZMKJV-RWPZCVJISA-N 470.356 5.337 50 50 JKGA CCOc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)=C1C#N 9374517 PFUTVXBBJGGBNN-QHCPKHFHSA-N 499.592 5.588 50 50 JKGA CC(/C=C(\NC(=O)c1ccccc1)C(=O)N/N=C/c1cccc(Br)c1)=C\c1ccccc1 12342787 PHWOPSYFTYMVJZ-YENDKSMMSA-N 488.385 5.317 50 50 JKGA N#CC1=C(n2cccc2)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@@H]1c1cccnc1 1432897 PONLEEQVYKSFSD-HSZRJFAPSA-N 460.459 5.905 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1c(F)cccc1F)C(N)=C(C#N)[C@H]2c1ccc(C(F)(F)F)cc1 2192622 JGBIPDKSCSWHCD-HXUWFJFHSA-N 473.445 5.924 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OC(=O)c1ccc(Cl)cc1Cl 4331005 LZESJEAOHAHGLM-MZJWZYIUSA-N 471.340 5.684 50 50 JKGA CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H](SC#N)[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 39579375 OZCSWRIJMBFXQD-WBNOWRQOSA-N 485.778 8.152 50 50 JKGA N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)c1cccc(F)c1 1056776 SPDRIMIARIRTOO-WQRHYEAKSA-N 451.295 5.670 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(N)=C(C#N)[C@@H]2c1ccc(Br)s1 1435782 FEJAJPLTUWAPDU-LJQANCHMSA-N 488.838 6.105 50 50 JKGA O=C(N/N=C/c1cc2ccccc2nc1Cl)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 2521842 WBAZTGOMUMCBHE-VULFUBBASA-N 499.379 5.106 50 50 JKGA O=C(N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12)c1ccc(Cl)cc1 2532238 MESKGPKEFQNHEG-RWPZCVJISA-N 463.320 6.130 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc4ccccc4o3)cc2)cc1 4258821 MKBNRAUFWKWDJM-MTDXEUNCSA-N 456.498 5.595 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1)c1ccc(Cl)cc1 4366472 ZVPATQCCBJRCOY-ZMOGYAJESA-N 457.711 5.086 50 50 JKGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2ccc([N+](=O)[O-])s2)C2=C1CC(C)(C)CC2=O 12372459 IAXJZKGUPUINSN-FQEVSTJZSA-N 468.966 5.559 50 50 JKGA N#CC1=C(n2cccc2)N(c2ccc(F)c(Cl)c2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12 12377287 WHNDSLSZKKOULZ-MHZLTWQESA-N 484.918 5.390 50 50 JKGA COc1ccc2c(Cl)c(C(=O)Oc3ccc(/C=N/NC(=O)c4ccc(Cl)cc4)cc3)sc2c1 19800626 XHNHITYBVWDFIH-UVHMKAGCSA-N 499.375 6.200 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 20495128 DMTNWCQUCQDOAC-JOCHJYFZSA-N 489.362 6.181 50 50 JKGA CCCCCCCCC(=O)N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1 102309636 WUUSTCOYOWWRCQ-WPWMEQJKSA-N 471.022 6.975 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC([N+](=O)[O-])=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]12C 254744428 AARKHEFUGCKAGW-AWVTYOLYSA-N 450.107 8.240 50 50 JKGA CC(C)c1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 2359406 LGSSGZBKSCLEDT-FOKLQQMPSA-N 477.080 5.850 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 2531235 AEVTURPSTUPKJM-OGLMXYFKSA-N 466.965 5.870 50 50 JKGA COc1ccc2c(Cl)c(C(=O)Oc3ccc(/C=N/NC(=O)c4ccc(F)cc4)cc3)sc2c1 19833549 RPWSMEWPSFHWSP-UVHMKAGCSA-N 482.920 5.686 50 50 JKGA C=C1[C@@H](OCOC)CC[C@]2(C)[C@@H]1C[C@H]1C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]([C@@H](O)[C@@H]2O)C1(C)C 169832937 SKYAWSKUWZPNCP-BKDLFLAGSA-N 480.762 5.642 50 50 JKGA CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2ccccc2C(F)(F)F)C2=C1C(=O)CCC2 1157049 TUYVWJMIUONNID-LJQANCHMSA-N 475.561 6.184 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl 2076754 KURSHLMYTDAUES-UVHMKAGCSA-N 499.375 6.200 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3sc4ccccc4c3Cl)cc2)cc1 4230057 SDTFFJPFBDEOSH-LQKURTRISA-N 492.984 6.327 50 50 JKGA Cc1cccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc23)c1 4296148 BOIPFXLXOIVSJQ-MUFRIFMGSA-N 485.927 5.110 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1)c1cccc2ccccc12 5318919 XDXKDJJAQNLQJD-TWKHWXDSSA-N 460.537 5.963 50 50 JKGA CCn1c(SCC(=O)N/N=C/c2ccc3c(c2)c2ccccc2n3CC)nc2ccccc21 13205118 MJSLKKSPWAKQDN-JVWAILMASA-N 455.587 5.426 50 50 JKGA C/C(=N/NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc(OCC(C)C)cc1 20572633 YUWURWJWHGRVKO-DXJNIWACSA-N 471.988 6.744 50 50 JKGA N#CSc1oc(-c2ccc(Cl)cc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 96022878 WSTRFYUIUPGBOK-UHFFFAOYSA-N 497.967 6.188 50 50 JKGA CCN(CC)c1oc(-c2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101011620 ANGFJQGPDMAEGP-UHFFFAOYSA-N 477.568 5.807 50 50 JKGA CCCCCCCCCCCCCC(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 102280402 QBOUBEZIJRIOHR-JBASAIQMSA-N 471.085 8.070 50 50 JKGA CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)C[C@@H](c1ccccc1)C2 1440786 VBWITZSAPVJGSN-SBUREZEXSA-N 478.687 5.393 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1 102271793 ZKHLQNXZHAPBMG-XHLNEMQHSA-N 482.621 6.294 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)c(C)c2)=C(C#N)[C@H]1c1ccccc1Cl 1199360 WINOFFLWRVCWKS-XMMPIXPASA-N 450.991 5.858 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1)c1ccc(Cl)cc1 2075481 RFOKXGBXRNQXBJ-LGJNPRDNSA-N 469.349 6.191 50 50 JKGA Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccc(-c4ccccc4)cc3)s2)cc1 2307964 YEOSNYFOBAYCDU-CVKSISIWSA-N 490.679 6.048 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])c1 2531936 SEIPVYCMEIDSAW-HJHSVFMCSA-N 497.507 5.193 50 50 JKGA O=C(c1ccc(CCc2ccccc2)cc1)[C@@H](Br)[C@H](Br)c1ccccc1 3122165 YJRLKDSWLXTWTP-YADHBBJMSA-N 472.220 6.554 50 50 JKGA CCCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCCC)cc3)cc2)cc1 4261317 RUBRCPVXMCOKKU-TWKHWXDSSA-N 488.584 5.566 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccccc2)c(C(=O)N/N=C(\C)c2ccccc2)cn1)c1ccccc1 12362435 QHYOQWWXHZBDMW-XIBHFCPISA-N 475.552 5.057 50 50 JKGA CCc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccc(OC(C)C)cc3)c3cccc(Cl)c3n2)cc1 20572501 QBWCCMFBYJNTEP-MZFJOGFUSA-N 486.015 7.059 50 50 JKGA Cc1cc(OC(C)(C)C(=O)N/N=C\c2cn(Cc3ccccc3)c3ccccc23)ccc1Cl 32568418 VTKKLVJQIFZNIR-MWLSYYOVSA-N 459.977 5.959 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 102285458 NDAIFOJZSQGUBY-VFCFBJKWSA-N 457.014 6.930 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C(=O)OC)cc3)[nH]n2)cc1 102302547 VBGRQOLBQGVBLU-TURZUDJPSA-N 476.577 5.367 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)[C@H](Br)[C@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C 257350482 XSXHTVGXMMGURA-YOZVFDNUSA-N 483.575 6.813 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc3ccccc3c2)=C(C#N)[C@@H]1c1ccc(F)cc1 1199023 JNNINAHMDACIAG-SANMLTNESA-N 456.542 5.880 50 50 JKGA COc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc23)cc1OC 2531319 KXCMPRYYFSSYAK-MUFRIFMGSA-N 488.927 5.494 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(N)=C(C#N)[C@@H]2c1ccc(Br)cc1 2570290 WJKKIDSWVDUEEL-NRFANRHFSA-N 482.809 6.043 50 50 JKGA C=CCc1ccccc1OCC(=O)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 4230009 TUOCYUDUEFUNEA-NDZAJKAJSA-N 464.521 5.317 50 50 JKGA CC(/C=N/NC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1)=C\c1ccccc1 9375247 LUFOECCYLINRJT-RDHGSAAWSA-N 470.960 6.128 50 50 JKGA OB(O)c1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3cccc4ccccc34)c2c1 169989453 ZDUDFKLIZTVUIT-UHFFFAOYSA-N 474.368 7.313 50 50 JKGA N#CC1=C(N)Oc2nc(SCc3ccccc3Cl)nc(N)c2[C@@H]1c1ccc(C(F)(F)F)cc1 1430919 HYRZBEXVQWSXGY-MRXNPFEDSA-N 489.910 5.241 50 50 JKGA O=P(c1ccccc1)(c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)oc1N1CCOCC1 100558349 DSOLGGNIABBFNX-UHFFFAOYSA-N 499.334 5.124 50 50 JKGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1c2ccccc2cc2ccccc12 102284820 BBUQWEYXFPHADU-GZZLJNBRSA-N 487.688 7.260 50 50 JKGA CCOC(OCC)[C@H]1C[C@H]2[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](CC)[C@H](C)C[C@@H]32)[C@H]1O 169830667 XWOOOAPNZZPARE-GVALYFOVSA-N 454.768 6.091 50 50 JKGA CCc1ccc([C@H]2C(C#N)=C(SCC(=O)c3ccc(Cl)cc3)NC(C)=C2C(C)=O)cc1 1199009 MBRNNTBWWKUZDJ-DEOSSOPVSA-N 450.991 5.803 50 50 JKGA CC(C)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc4ccccc34)=C2C#N)cc1 1288557 OODKVORMBFALSI-QFIPXVFZSA-N 455.583 5.674 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3C)cc2OC)cc1 2520000 HYCIUGKLTOIIPF-MTDXEUNCSA-N 460.530 5.166 50 50 JKGA C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2530515 KPXCCGBXDSQOCH-HJHSVFMCSA-N 458.945 5.990 50 50 JKGA CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2543177 AHOTYGPGZYDYSU-VULFUBBASA-N 457.313 5.375 50 50 JKGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1Br 2935106 GTQFVWHCWSRXDB-VULFUBBASA-N 463.310 5.205 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(n1cccc1)=C(C#N)[C@@]21C(=O)Nc2ccccc21 12402285 BLETWQRUKCGQJS-GDLZYMKVSA-N 460.537 5.234 50 50 JKGA CC/C(=N\NC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12)C12CC3CC(CC(C3)C1)C2 20551540 OQSXFUJHFGYAGS-XPXRSFDGSA-N 465.641 7.231 50 50 JKGA C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCCBr)[C@H]3[C@@H]1CC[C@@H]2O 35974473 ILWDBZWOZQESSY-NJGGNICLSA-N 477.527 7.351 50 50 JKGA in-vitro CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)[C@H](Br)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 257350481 XSXHTVGXMMGURA-SZQJMYFLSA-N 483.575 6.813 50 50 JKGA CCc1ccc([C@H]2C(C#N)=C(SCC(=O)c3cccc([N+](=O)[O-])c3)NC(C)=C2C(C)=O)cc1 1199011 KVXKNFYVGOQMQG-DEOSSOPVSA-N 461.543 5.058 50 50 JKGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccccc2Cl)cc1 2531278 GXHPLHZNWMFTIT-MUFRIFMGSA-N 488.927 5.250 50 50 JKGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)cc1OC 28629675 FFWCYNOLVQXVAW-HKWRFOASSA-N 461.525 5.507 50 50 JKGA COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c1 2276644 LBJYNXSWVNDUFT-RDRPBHBLSA-N 499.640 5.483 50 50 JKGA COc1cc(/C=N\NC(=O)Nc2ccccc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 32124800 ZAPWEZURFSTTML-ZMFRSBBQSA-N 474.395 5.570 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1)c1ccccc1O 100847450 AKYHPJKFDVKRJA-JVWAILMASA-N 460.921 5.169 50 50 JKGA Cc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(Br)s3)C3=C2CC(C)(C)CC3=O)cc1 705423 UAFZOLFYATWDGI-HXUWFJFHSA-N 468.420 5.760 50 50 JKGA COc1cc([C@H]2C(C#N)=C(N)N(c3cccc(Cl)c3C)C3=C2C(=O)CC(C)(C)C3)ccc1O 1108631 RPCBEMWRYZJDLN-QHCPKHFHSA-N 463.965 5.304 50 50 JKGA CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 1195735 GLSZKNUZCJEHNK-GXDHUFHOSA-N 482.290 5.562 50 50 JKGA Cc1cccc(OCC(=O)N/N=C/c2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)c1 2531636 BGKLEVODZXGULG-STBIYBPSSA-N 452.510 5.205 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1ccco1 8916694 JKVJVIBMDYBNKQ-OVVQPSECSA-N 473.602 5.457 50 50 JKGA N#C/C(=C\c1cc2cc(Br)ccc2nc1Cl)c1nc(-c2ccccc2)cs1 16511971 DKCOXVOMZHMPLS-CXUHLZMHSA-N 452.764 6.838 50 50 JKGA COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(Br)cc1 20550086 RHDGURMZHQNMHU-RIYZIHGNSA-N 499.390 5.356 50 50 JKGA CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)c(I)nn2[C@H]1CCCCO1 203763470 DLOWRBHQNGAXOO-MRXNPFEDSA-N 458.416 5.724 50 50 JKGA Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)s1 2244506 IAZOUANQSPMJGN-ZMOGYAJESA-N 468.007 5.200 50 50 JKGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)ccc1OC(=O)c1ccc(C)cc1 2506358 IDDCSBMFBDXVHP-UZOOHMMHSA-N 482.536 5.294 50 50 JKGA O=C(Cc1ccccc1)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12 2530154 MHWNGKLESZEBSG-MUFRIFMGSA-N 477.347 6.059 50 50 JKGA CC1=C[C@H]2[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2C)C(=O)[C@@H]2C[C@H]3[C@H](C(C)C)CC[C@]3(C)C[C@H]12 169833932 WUYAOMBDMISYPG-NDCKDMKTSA-N 458.803 7.893 50 50 JKGA Cc1cc(C)c2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(F)c(F)c3)c(C)c2c1 1857800543 DDMHAEXVHSSUKF-XMMPIXPASA-N 486.474 6.074 50 50 JKGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 2531233 FHZIOJHWLMICKF-WMMCOQJOSA-N 488.971 5.998 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OC(=O)c1ccccc1Cl 3169521 UDDMKTIHXSMYLB-DHRITJCHSA-N 487.737 5.094 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@H]2c1ccc(Br)cc1 8809700 YVNZZTVNKINIQC-OAQYLSRUSA-N 493.361 5.298 50 50 JKGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1[N+](=O)[O-] 16293709 MNHXQANWUKZBTH-QGOAFFKASA-N 490.479 5.169 50 50 JKGA CC(C)(C)C(=O)NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100297312 ITWAWUSEEAOFOM-UHFFFAOYSA-O 457.361 5.747 50 50 JKGA COC(=O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@]34CC[C@@]5(C[C@H](OC(=O)c6ccccc6)CC[C@]5(C)C3=CC[C@]12C)OO4 257350115 UUHHCZJOUIVZEG-GSMGODBOSA-N 494.628 5.807 50 50 JKGA CCc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(Br)c3)C3=C2C(=O)CCC3)s1 2518443 MGEQWAVUZLEUGN-FQEVSTJZSA-N 454.393 5.378 50 50 JKGA CCc1ccc(OCC(=O)N/N=C/c2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 2530615 QNRYZGXDELQORV-UXHLAJHPSA-N 466.537 5.459 50 50 JKGA O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1)c1cccs1 2553485 KQXPZUQWFNJJBK-LQKURTRISA-N 490.968 5.964 50 50 JKGA CCCCOc1ccc(-c2n[nH]c3c2[C@@H](c2c[nH]nc2-c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 8854895 INIGJYJIBJROBU-OAQYLSRUSA-N 470.508 5.003 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)c2cccs2)N1 8920598 XFGJYSVIEONJJP-JOCHJYFZSA-N 461.568 5.292 50 50 JKGA O=C(NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 100722530 NHZJQSHOKUIODV-UHFFFAOYSA-O 454.574 5.271 50 50 JKGA C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@@]4(C)[C@H]3[C@H](Br)C(=O)[C@@]12C 257358406 UBRJOFJFNRMMKB-LFMQQLRQSA-N 453.461 6.089 50 50 JKGA O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccc(Cl)cc2)cc1 2576165 DKMFWKKQHSQWJR-UXHLAJHPSA-N 470.956 6.262 50 50 JKGA CCOc1ccc(OCC)c([C@@H]2C(C#N)=C(N)N(c3cccc4ccccc34)C3=C2C(=O)CCC3)c1 1108576 AVMFWHQYMUSIGU-MUUNZHRXSA-N 479.580 5.942 50 50 JKGA O=C(N/N=C/c1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12)c1cccnc1 2553228 ZWKDZBISTVWIDF-CCVNUDIWSA-N 464.308 5.525 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1)c1ccccc1O 101122530 VNBJZHIOIYIYFN-JVWAILMASA-N 460.921 5.169 50 50 JKGA C1=C[C](CP(c2ccccc2)c2ccccc2)C(P(C2CCCCC2)C2CCCCC2)=C1 1501018262 REFDRNKUNXPLNR-UHFFFAOYSA-N 459.574 8.295 50 50 JKGA CCOc1ccc(C2=C(/C=N/NC(=O)c3ccncc3)[C@@H](c3ccccc3)c3ccccc3O2)cc1 2278259 NSVBXTYEBOXCGQ-AWLRXGSOSA-N 475.548 5.832 50 50 JKGA O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)[nH]n1 9088951 CSXUQZMURGRPLY-WKULSOCRSA-N 469.932 5.554 50 50 JKGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccc(Cl)cc1 9334770 GJSABXOYEKVKAM-QHCPKHFHSA-N 484.943 5.536 50 50 JKGA O=C(COc1ccc(Cl)cc1Cl)N/N=C(\Cc1nc2ccccc2[nH]1)c1ccccc1 15356857 DYCZEQCESMVNCE-VFCFBJKWSA-N 453.329 5.012 50 50 JKGA C=CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C 169836639 OQQDNURQSQXAJR-CLJLJLNGSA-N 484.829 5.890 50 50 JKGA CC(C)(C)[Si](C)(C)OCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 585656412 LNVNYIRAWWXDCG-QFIPXVFZSA-N 455.627 5.390 50 50 JKGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(C)c(C)c2)cc1OC 1052624 IKJJECWXKOHUTM-MFKUBSTISA-N 499.592 5.512 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2531872 ZBXUTYRZZPZFKW-OGLMXYFKSA-N 483.480 5.130 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2OCC)cc1 2531878 XFXAAVQGNPAUMS-OGLMXYFKSA-N 480.948 5.511 50 50 JKGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OCc4ccccc4)cc3)cc2)c1 2565227 QNEPBQQXOSPOKX-NDZAJKAJSA-N 464.521 5.557 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1 2921680 YECLFTCYGHXYNR-JOCHJYFZSA-N 491.827 6.548 50 50 JKGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2OCc2cccc3ccccc23)n[nH]1 4527988 DCHHCUGJVRDHQL-STBIYBPSSA-N 491.507 5.481 50 50 JKGA CCOC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1cccn1Cc1ccc(Cl)cc1Cl 20169101 UDYWJZNWSXOBDN-XNTDXEJSSA-N 474.369 5.627 50 50 JKGA N#C/C(=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12)S(=O)(=O)c1ccc(Cl)cc1 20533900 GYDLFUPFVJUMPU-LPYMAVHISA-N 467.377 6.335 50 50 JKGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 4210105 MFVISFBTZFEGSQ-FDAWAROLSA-N 477.543 5.850 50 50 JKGA CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1 4229729 RQWKQRMNJWZNHN-JFLMPSFJSA-N 478.957 5.937 50 50 JKGA N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 6975013 CIERVJLJDWDTCX-BOPFTXTBSA-N 451.841 5.469 50 50 JKGA CCc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(OC)cc3OC)nc3ccccc23)s1 8454717 OVVUQTZSEPBCAI-LQKURTRISA-N 459.571 5.697 50 50 JKGA CCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 102316584 RUPXOQBPYWAMRT-JJKYIXSRSA-N 480.649 7.066 50 50 JKGA CCOc1cccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccc(Cl)cc4)cc3)[nH]n2)c1O 9013190 RWJOLRPFHSSBGO-RWPZCVJISA-N 490.947 5.177 50 50 JKGA COc1ccc2nc(/C(C#N)=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)c(Cl)c3)[nH]c2c1 9934929 DFMSPRIZXVFFFR-WQRHYEAKSA-N 472.932 5.615 50 50 JKGA COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OC(=O)c1csc2c1CCCC2 12273694 DTVKUCFAYLOFDS-SFQUDFHCSA-N 472.591 6.529 50 50 JKGA COC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1ccc(OCc2ccc(F)cc2)c(OC)c1 12402635 KLZLTRWARRKQJU-RUZDIDTESA-N 474.488 5.168 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3C(F)(F)F)[nH]n2)cc1 102300578 JGYMREWICHAONB-UXHLAJHPSA-N 486.538 6.599 50 50 JKGA COC(=O)c1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)oc1CBr 169830628 XEDCELBZLAWXAV-UHFFFAOYSA-N 487.466 5.038 50 50 JKGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2530320 UIENEMJRJLUESO-IPPBACCNSA-N 499.394 6.174 50 50 JKGA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 4335663 ZNMRLPJIYFYTRE-QJXMJWHHSA-N 477.775 6.143 50 50 JKGA COc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1 4347350 YHNKHZCESOLXFQ-DHRITJCHSA-N 487.737 5.094 50 50 JKGA Cc1ccc(-c2nc(N(c3ccccc3)c3ccccc3)c(SS(=O)(=O)c3ccccc3)[nH]2)cc1 6184600 BRHQYFGPDXEDNL-UHFFFAOYSA-N 497.645 7.336 50 50 JKGA CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)OCc3ccc(OC)cc3)ccc21 9805852 IHBDJYNLEMGGKL-RDRPBHBLSA-N 472.545 5.454 50 50 JKGA N#CC(NC(=O)c1ccccc1F)=C(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1 334161471 BDVBHFYOUXZOFL-UHFFFAOYSA-N 475.397 7.140 50 50 JKGA C[C@]12C[C@H](O[Si](C)(C)C)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(C#N)O[Si](C)(C)C 1772492737 XJMCXAZKIBJUJN-XRVGGGAJSA-N 473.806 6.462 50 50 JKGA COc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1OCc1ccc(Cl)cc1 2584899 UTBVGHQIIBMWQA-DHRITJCHSA-N 473.754 5.454 50 50 JKGA CCOc1cc(/C=N/NC(=O)[C@H](C)Sc2nc(C)cc(C)n2)ccc1OCc1ccc(Cl)cc1 2907492 GRHFGYUKLQGWEC-JYSLEBDSSA-N 499.036 5.355 50 50 JKGA COc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1 4229824 WZXFWHGBSZOJAG-MZJWZYIUSA-N 494.956 5.312 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1ccccc1O 9380272 JBUGZLMFLXCZGD-VUTHCHCSSA-N 499.640 5.570 50 50 JKGA CCOC(OCC)[C@@H]1C[C@H]2[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](CC)[C@H](C)C[C@@H]32)[C@@H]1O 169830674 XWOOOAPNZZPARE-FOCOGETLSA-N 454.768 6.091 50 50 JKGA CC(C)(C)[Si](C)(C)OC[C@H]1OC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 195805966 FMXIGEXRLSNRMR-NJDAHSKKSA-N 488.934 7.702 50 50 JKGA C[C@]12C[C@H](O[Si](C)(C)C)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(C#N)O[Si](C)(C)C 1772492735 XJMCXAZKIBJUJN-KBRDRDRXSA-N 473.806 6.462 50 50 JKGA CSc1ccc([C@@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)cc1 3664813 UYEFBRHCOOLMRS-XMMPIXPASA-N 486.666 5.915 50 50 JKGA C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 4360304 XACIDPPXNDQQRK-OJPXDDBDSA-N 472.928 5.630 50 50 JKGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)[nH]n2)cc1 9340009 MFGMPVSONLLUOM-LQKURTRISA-N 462.594 5.540 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1ccc(O)cc1 13897284 CHZXWJKJQBUNRT-WPWMEQJKSA-N 492.004 5.234 50 50 JKGA N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccc(C(=O)O)cc1 16399881 OLHINPUNNJYDPM-GRSHGNNSSA-N 479.286 5.699 50 50 JKGA CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H](SC#N)[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 257347664 OZCSWRIJMBFXQD-AFDCMSLCSA-N 485.778 8.152 50 50 JKGA CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)cc1 2188816 JOEADQQMDLWZPF-RUZDIDTESA-N 484.625 5.592 50 50 JKGA N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2792964 BZIJNMCPMYDBOI-YRNVUSSQSA-N 496.228 6.726 50 50 JKGA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4229813 VKTPZIVRSKMAOE-YSPZVVCMSA-N 483.351 5.530 50 50 JKGA COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccc(/C=N/NC(=O)c3cccnc3)cc2)cc1 8989842 MDMKDMDMGVTKQP-NGUGDGFLSA-N 475.552 5.210 50 50 JKGA Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccccc2Br)c1 19912731 RFDSHQKGDUPXSV-JFLMPSFJSA-N 489.373 5.139 50 50 JKGA CC(C)CCC[C@@H](C)CCOc1cc(CCl)c(OCC[C@H](C)CCCC(C)C)cc1CCl 100652851 PVLQKAUCHQKDLW-DNQXCXABSA-N 487.596 9.627 50 50 JKGA O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1ccccc1Cl 1810133 SHARFILDESESQH-ZVBGSRNCSA-N 469.444 5.380 50 50 JKGA Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)o1 1819297 BZEXZDAMPSURBV-BRJLIKDPSA-N 486.384 5.385 50 50 JKGA C=CCOc1c(I)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC 2847086 RZYJLOAJTCCYPU-OQLLNIDSSA-N 451.691 5.582 50 50 JKGA Cc1ccccc1C(=O)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12 2553815 WVEIZRLYGQRNED-WKULSOCRSA-N 477.347 6.438 50 50 JKGA COc1ccc(/C=N/NC(=O)c2sc3cccc(Cl)c3c2Cl)cc1CN1CCSCC1 8456081 IMBVATPPUDYXOO-BRJLIKDPSA-N 494.469 5.529 50 50 JKGA CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc1 13239284 OTGYHXARWJPIGD-RDRPBHBLSA-N 485.657 5.482 50 50 JKGA N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1nc2ccccc2s1 13300972 CKWQFAOHJUEEDM-XMHGGMMESA-N 462.534 5.984 50 50 JKGA Cc1cc([C@H]2C(C#N)=C(N)N(c3cc(C(F)(F)F)ccc3Cl)C3=C2C(=O)CCC3)c(C)s1 27550656 ZLWYSUPEVDMUEX-FQEVSTJZSA-N 477.939 6.342 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]4[C@H](C)CC[C@H](C)C(C)C)[C@@]34CC[C@]2(C1)OO4 257349360 NQOHVZFOGSDCDQ-AIVZPAIESA-N 474.726 7.492 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]4[C@@]34C=C[C@]2(C1)OO4 257350239 VVDFOIZUJIWFEH-SAELYBOHSA-N 470.694 7.044 50 50 JKGA CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)NC2=C1C(=O)CCC2 2351695 FZTQRLASILLPEZ-SANMLTNESA-N 487.625 5.503 50 50 JKGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 2521681 QEQXAZGEXPYKAI-WKULSOCRSA-N 493.346 5.895 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)c(Cl)c1 2584989 BGFSGRDMDYEGFJ-KBKYJPHKSA-N 482.150 6.283 50 50 JKGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 4232146 IYPRMZFMENGAQJ-WYMPLXKRSA-N 482.776 5.212 50 50 JKGA C/C(=N/NC(=O)c1ccc(Br)o1)c1ccc(NC(=O)c2ccccc2Cl)cc1 8400199 MHQQNJJVXJYFNL-MSXFZWOLSA-N 460.715 5.102 50 50 JKGA C/C(=N/NC(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1)c1cccc(NC(=O)C2CCCC2)c1 8453920 FMPPSFLGQZWZPK-MBTHVWNTSA-N 481.984 5.077 50 50 JKGA Cc1ccc([N+](=O)[O-])cc1N1C2=C(C(=O)CCC2)[C@H](c2ccc3c(c2)OCO3)C(C#N)=C1n1cccc1 12462360 NANUHJWZSHDKDJ-AREMUKBSSA-N 494.507 5.437 50 50 JKGA Cc1ccc(CNC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(C(F)(F)F)c2)cc1 20367297 FLWYZRVASNCHCL-HYARGMPZSA-N 450.460 5.816 50 50 JKGA CCCCCCCCCCCCCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 102316121 MCJFIFKCKLEWNR-AWSUPERCSA-N 490.667 7.830 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](OC(=O)CCl)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@@]12C 257348906 JYFIEJVIHNYZAE-STEBENSTSA-N 463.146 7.868 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1F)C(N)=C(C#N)[C@H]2c1ccsc1 1064834 NRKWHTNHHDACJY-LJQANCHMSA-N 472.383 5.591 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1 2542779 JXXDJCASCZKVFY-UXHLAJHPSA-N 498.535 5.239 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc4ccccc4c3)cc2)cc1 4261345 PWZFJUTVFKZHIL-KCUTWZHFSA-N 496.563 5.765 50 50 JKGA CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2ccc(C)c(Cl)c2)C2=C1C(=O)CCC2 5949776 XDWWIRICYNSOOD-FQEVSTJZSA-N 456.036 6.127 50 50 JKGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccccc1Cl 8566469 ULUYXBHDEQQVGV-QHCPKHFHSA-N 484.943 5.536 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccc(Cl)cc1 8816729 YMBSBPMWDOIJJM-TURZUDJPSA-N 490.032 5.837 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1 13208759 UKRLSMIXFSNILE-LGJNPRDNSA-N 469.397 5.634 50 50 JKGA COc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)sc2c1 25583978 OMRKDKYQXUOYPI-FOKLQQMPSA-N 455.879 5.495 50 50 JKGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1 32513837 IJJVGGOMHFUSTL-STBIYBPSSA-N 462.509 5.278 50 50 JKGA CCc1ccc([C@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CC(C)(C)C3)s1 2518444 FVMAHFUYQSDMEJ-JOCHJYFZSA-N 462.575 5.468 50 50 JKGA CCCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2521105 KMGAGRYGVQDTBF-MUFRIFMGSA-N 499.394 6.084 50 50 JKGA CCOc1cc(/C=N/NC(=O)C2CCCCC2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2542542 JACWCQTUAJRNRR-VULFUBBASA-N 463.361 5.642 50 50 JKGA CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CC(C)(C)C2 9981293 VRARTHYJJHRBRQ-QFIPXVFZSA-N 498.117 7.017 50 50 JKGA COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(F)cc1 20220719 JVXDNYVBJBENGY-GZTJUZNOSA-N 472.501 5.277 50 50 JKGA C#CCOc1ccc(Br)cc1/C=N/NC(=O)CCCCCCCCCCCCC 102316069 ZITISKOEXQDCPK-LHLOQNFPSA-N 463.460 6.612 50 50 JKGA CC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccccc1F)N2 229865888 RQWJLQMHPALCFV-FAOGAKCWSA-N 496.991 6.975 50 50 JKGA C=CCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1 4259730 OIEHKENMTNACGJ-JVWAILMASA-N 493.357 5.305 50 50 JKGA N#CC1=C(SCc2ccc(Cl)cc2)NC(=O)C[C@H]1c1ccc(OCc2ccccc2)cc1 9014552 BPSINXYAEIUVAI-QHCPKHFHSA-N 460.986 6.191 50 50 JKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 100689860 AUOIMBCUHKTARW-SZXQPVLSSA-N 466.066 7.960 50 50 JKGA CC(C)(C)OC(=O)N1CCC[C@](CCCI)(c2ccc(Cl)c(Cl)c2)C1 526056042 GRCDZCVRSWNMTF-IBGZPJMESA-N 498.232 6.477 50 50 JKGA CCOc1ccc([C@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)cc1 2188815 JOEADQQMDLWZPF-VWLOTQADSA-N 484.625 5.592 50 50 JKGA N#CC1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 2597495 YXKMGNFWAVDJNT-FQEVSTJZSA-N 488.853 5.572 50 50 JKGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)cc1 4210737 XIJREACTQPUAJU-JZNDDVEWSA-N 471.340 5.439 50 50 JKGA C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 8399880 VNLOLPXDXWQCDE-LQKURTRISA-N 470.356 5.094 50 50 JKGA N#CC1=C(n2cccc2)N(c2cccc(Cl)c2)C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 12360562 IBPHEHZHXPPYRY-RUZDIDTESA-N 469.928 5.873 50 50 JKGA CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 20190195 MSWLPLRYEVHJEP-ZROIWOOFSA-N 491.758 6.763 50 50 JKGA CCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 102316906 QRUGYKGVQPWMNE-JBASAIQMSA-N 485.068 7.710 50 50 JKGA CC(C)c1ccc(OCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 2542515 NHDLHGLMGZEUAY-JFLMPSFJSA-N 450.922 5.212 50 50 JKGA COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CC(C)(C)C3)cc1O 3105464 AXBGBZRILIUNQL-QFIPXVFZSA-N 494.389 5.104 50 50 JKGA CCO[Si](CCCSSCCC[Si](OCC)(OCC)OCC)(OCC)OCC 169748384 FBBATURSCRIBHN-UHFFFAOYSA-N 474.834 5.245 50 50 JKGA CC(C)(C)[Si](C)(C)OC[C@@]1(C)C[C@H]2C[C@]3(C)CC[C@@H]3C(=O)[C@@]2(S(=O)(=O)c2ccccc2)C1 169830615 PFUPTZIVMZGJPG-GDHDYFBOSA-N 476.755 6.026 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccc(OCc2ccccc2F)cc1 1068184 AJJIJMYRDUWSMF-JOCHJYFZSA-N 472.907 5.666 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 2573646 OLXYEIRMOZTHJW-NRFANRHFSA-N 482.462 5.554 50 50 JKGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OCc3ccccc3)cc2)cc1 4231904 ZAJYTGYLIVOEJL-VUTHCHCSSA-N 499.592 5.139 50 50 JKGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccc(F)cc1 20175977 VSPYFWLDCJNVSZ-DEOSSOPVSA-N 482.515 5.412 50 50 JKGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 102291440 HFCRLWWJBZTGBQ-MWAVMZGNSA-N 479.621 5.393 50 50 JKGA CCOc1ccc(NC(=O)C(=O)N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@@]23C)cc1 226441336 MNXVBXWQINRGGF-ZUWIVCOLSA-N 489.616 5.061 50 50 JKGA Cc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3F)C3=C2C(=O)CCC3)c(C)c1 1111894 YSXBLGBOJHSNBL-JOCHJYFZSA-N 466.354 5.510 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 2351858 STWABWQUOBXXRK-CVKSISIWSA-N 461.978 5.139 50 50 JKGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1ccccc1F 2519911 GCIQHRWWDZVTPO-BIZUNTBRSA-N 490.538 6.021 50 50 JKGA CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4209322 HCDIDHONAISKCX-AAKLXPPCSA-N 497.378 5.920 50 50 JKGA O=C(COc1ccc(I)cc1)NN=C1CCCCCCCCCCC1 9846049 IOYOTZSSIZENRJ-UHFFFAOYSA-N 456.368 5.447 50 50 JKGA N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(C(=O)O)cc1 16474603 SGGNDGLADNWLKG-NVMNQCDNSA-N 469.280 6.243 50 50 JKGA O=[N+]([O-])c1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(S)o2)cc1 97976883 RWRKXSXIUBACHX-UHFFFAOYSA-O 483.509 5.158 50 50 JKGA CCOc1ccc([C@H]2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)cc1 1445616 SPWWBGCTNCKKFY-QFIPXVFZSA-N 453.464 5.409 50 50 JKGA O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1cccc2ccccc12 2332422 LZMZYMPCIDFPEI-WYMPLXKRSA-N 485.059 5.879 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccccc1 2530553 GOVPTZDFHDCAQP-VULFUBBASA-N 457.313 5.375 50 50 JKGA Cc1ccc(OCC(=O)N/N=C/c2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 2531517 INZMKHTTWWQLDE-STBIYBPSSA-N 452.510 5.205 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3)cc2)cc1 4231386 NASUFCHCLLPIKO-AJBULDERSA-N 495.579 5.866 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1)c1ccc(Br)cc1 5354290 PMRJPWXPYDHPHF-WGOQTCKBSA-N 459.347 5.660 50 50 JKGA Cc1cc(Br)ccc1N1C(N)=C(C#N)[C@H](c2ccc(F)cc2)C2=C1CC(C)(C)CC2=O 716502 PPLXCDSPYBJBQS-QFIPXVFZSA-N 480.381 5.838 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)cc1 4258572 SVHITHQFEDQVLJ-OQIQZUQJSA-N 480.948 5.266 50 50 JKGA O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1 4366555 LKISCDGBBKACNM-NDZAJKAJSA-N 466.537 5.374 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1ccc(F)cc1 5317814 ZMWDWIMMBRMMQK-LQKURTRISA-N 466.969 5.510 50 50 JKGA CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2ccc(C)cc2)C2=C1C(=O)CC(C)(C)C2 9982425 CZGAWJTWNWLMBI-QHCPKHFHSA-N 477.699 6.672 50 50 JKGA Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CCCC3=O)N2)c1 13174384 HWDXVAWEMOYPAW-DEOSSOPVSA-N 478.017 5.758 50 50 JKGA CCCCCCCCC(=O)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12 102281049 KGXRWCCXUSDZKB-VUTHCHCSSA-N 464.993 6.913 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2C)=C(C#N)[C@H]1c1ccccc1Cl 1229212 GCMCFMFWKUFSAY-XMMPIXPASA-N 450.991 5.858 50 50 JKGA CC(C)c1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1 2529731 RWONQYKBBIHJLC-JFLMPSFJSA-N 450.922 5.212 50 50 JKGA O=C(N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccccc1Br 4260830 GPXGEZBEGRCFDR-RWPZCVJISA-N 477.333 6.084 50 50 JKGA Ic1ccccc1SSc1ccccc1I 4287898 XKXXKCBAWRUHRG-UHFFFAOYSA-N 470.138 5.695 50 50 JKGA O=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95681709 MPWXHQITWLFMQM-UHFFFAOYSA-N 482.517 5.761 50 50 JKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccccc1OCc1ccccc1 102316780 WLWVHSDAYHNRRB-MUGXBBEHSA-N 492.748 8.977 50 50 JKGA Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1 239248160 YFBVFRGPUZJOKR-YRXWBPOGSA-N 493.195 5.214 50 50 JKGA C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3[C@H](Br)C(=O)[C@]12C 257347774 UBRJOFJFNRMMKB-USMOYSPMSA-N 453.461 6.089 50 50 JKGA COc1cc(CBr)c(OCC[C@H](C)CCCC(C)C)cc1CBr 2506834 DOKSAXJBKYCNRE-OAHLLOKOSA-N 450.255 6.716 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12)c1cccc(NC(=O)C2CCC2)c1 8456049 CSNJMOUUTYZYHS-KEIPNQJHSA-N 490.607 6.411 50 50 JKGA N#C/C(=C\c1ccccc1[N+](=O)[O-])c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 16310894 OUEJPOQGUWLYJM-GZTJUZNOSA-N 451.463 6.042 50 50 JKGA COc1ccc(-c2nn(Cc3ccc(F)cc3)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OC 20418742 LTRKWKJXWOYWJB-HYARGMPZSA-N 496.542 5.609 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(O)cc2)C(C#N)=C(SCc2ccccc2)N1 754732 BONGMNSSJJQLGW-RUZDIDTESA-N 453.567 5.660 50 50 JKGA COc1ccc(Br)cc1/C=N/NC(=O)c1cc(-c2ccco2)nc2ccccc12 1005567 FLPFCFQFIBMINB-ZMOGYAJESA-N 450.292 5.030 50 50 JKGA Cc1ccc(N2C(N)=C(C#N)[C@H](c3cc(Br)cs3)C3=C2CC(C)(C)CC3=O)cc1 1057279 ALWMDFMYMPJAND-HXUWFJFHSA-N 468.420 5.760 50 50 JKGA COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(I)cc3)c2C)cc1 1190181 XMSPYIBBMGHFPK-AQTBWJFISA-N 497.336 5.253 50 50 JKGA O=[N+]([O-])c1ccc(C(Br)Br)c(C(Br)Br)c1 2512551 KYHYXMVGEXICQQ-UHFFFAOYSA-N 466.749 5.172 50 50 JKGA in-vitro CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)cc1 2520091 UJTDTQXZNZSZTO-JVWAILMASA-N 466.921 5.121 50 50 JKGA CCCCCCc1ccc(NC(=S)N[C@H](NC(=O)CCl)C(Cl)(Cl)Cl)cc1 4558617 BUUCMVTWZAFALX-HNNXBMFYSA-N 459.270 5.147 50 50 JKGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 43190578 SNXJZOJAXVMXIA-RPPGKUMJSA-N 463.748 5.755 50 50 JKGA CC(=O)Oc1ccc(/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4cc3O)cs2)cc1 112792662 PXZDHABCWBXHFN-LSCVHKIXSA-N 491.366 6.421 50 50 JKGA Cc1ccc(C(=O)Nc2sc(/C(C#N)=C\c3ccc(N4CCCCC4)o3)nc2-c2ccccc2)cc1 170623660 VIYNPZSVUWXCKW-NKFKGCMQSA-N 494.620 7.018 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1ccccc1Cl 1199362 WINOFFLWRVCWKS-DEOSSOPVSA-N 450.991 5.858 50 50 JKGA N#CC1=C(n2cccc2)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@@H]1c1ccsc1 1431981 UEMOHQNXCHZADC-JOCHJYFZSA-N 465.500 6.572 50 50 JKGA COc1ccc(Br)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 2225244 XUBPHNQPBNCVIB-CVKSISIWSA-N 460.331 5.437 50 50 JKGA N#CSc1ccc2nc(N[C@H](NC(=O)c3ccccc3)C(Cl)(Cl)Cl)sc2c1 17125682 PYHXOOBFHHBWLU-HNNXBMFYSA-N 457.795 5.408 50 50 JKGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OCc1cccc(F)c1 20176006 RGRKNEHIKCINGW-DEOSSOPVSA-N 482.515 5.412 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC(=O)[C@@]4(C)[C@H](CC[C@@H]4[C@H](C)CC[C@H](C)C(C)C)[C@@]34CC[C@]2(C1)OO4 257348432 FNOFNCIBAJVYBM-ORTFHANSSA-N 486.693 6.592 50 50 JKGA CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2521100 UJWNIMVPEAJJCG-MZJWZYIUSA-N 471.340 5.304 50 50 JKGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 2584943 HBBOCYZRRZBHAV-BRJLIKDPSA-N 492.156 5.739 50 50 JKGA Cc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)N/N=C/c3cc4c(cc3Cl)OCO4)c2c1 2738104 QZVAAWIFQJXIQA-AMVVHIIESA-N 485.971 6.480 50 50 JKGA N#C/C(=C\Nc1ccccc1[N+](=O)[O-])c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 8387212 HAIYPNZODNBTDU-JLHYYAGUSA-N 495.314 5.564 50 50 JKGA COc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8809507 NPPYWCZKZBTHLI-MHWRWJLKSA-N 494.429 6.663 50 50 JKGA Cc1ccc(N2C3=C(C(=O)CC(C)(C)C3)[C@H](c3ccsc3)C(C#N)=C2n2cccc2)c([N+](=O)[O-])c1 12447368 QNSHWDPLSFAXHE-XMMPIXPASA-N 484.581 6.406 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2cccc(Br)c2)=C(C#N)[C@@H]1c1ccccc1 16676336 AIBZZTRJAOJBHP-QFIPXVFZSA-N 467.388 5.350 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12 102272184 LNSYQZUMCNEJQP-TWKHWXDSSA-N 479.020 7.303 50 50 JKGA COc1ccc(CO[C@H](CCCO)[C@@H](C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1 169836480 VUVPEUVKTFQTPS-FUFSCUOVSA-N 492.732 5.318 50 50 JKGA O=C(NNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)Nc1ccccc1 673035 ZRIKFWHKQUHDRF-UHFFFAOYSA-N 451.313 5.675 50 50 JKGA aggregator Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccc(Br)s3)s2)cc1 2322451 ARUCAJVRWVYSME-UFWORHAWSA-N 499.506 5.205 50 50 JKGA CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CC(C)(C)C3)cc1 3666596 RQFAFFOOCQLIIL-HSZRJFAPSA-N 481.518 6.045 50 50 JKGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)cc1 6143850 WCLIKUIZSUKNRS-VUTHCHCSSA-N 467.573 5.266 50 50 JKGA N#CC1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])s1 12428464 VSZXKGQKZRQXQM-SFHVURJKSA-N 494.882 5.633 50 50 JKGA CCCOc1c(I)cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OC 13943465 SGEJFVMUKCWMAO-SXGWCWSVSA-N 487.341 5.646 50 50 JKGA COC(=O)c1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C(F)(F)F)cc2)cc1 16388512 ZRFVUOOGYRNGTI-XSFVSMFZSA-N 480.442 5.617 50 50 JKGA C/C(=N/NC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12)c1ccc(NS(C)(=O)=O)cc1 20572658 ZHSKLAPSZBHOFZ-CEUNXORHSA-N 486.597 5.044 50 50 JKGA Cc1ccccc1[C@H]1C(C#N)=C(N)N(c2cccc(Br)c2)C2=C1C(=O)CC(C)(C)C2 695860 ISRRDLLZOBAWGX-QFIPXVFZSA-N 462.391 5.698 50 50 JKGA N#CC1=C(SCC(=O)NCc2ccccc2)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1Cl 2331256 DINOKDRFMHOUSJ-JOCHJYFZSA-N 498.435 5.472 50 50 JKGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3OCc3ccccc3)cc2)cc1 4210799 SWAMIFBFPWIIOJ-NDZAJKAJSA-N 464.521 5.557 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OCC)c2)cc1 4302902 KQWOROQFTZQZBF-VUTHCHCSSA-N 490.556 5.256 50 50 JKGA CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OCc3cccc4ccccc34)n[nH]2)cc1 4527983 FHBYFPHTSJXMQM-ZCTHSVRISA-N 489.579 5.639 50 50 JKGA COc1ccc(/C=N\NC(=O)c2ccccc2Cl)cc1COc1c(F)c(F)c(F)c(F)c1F 32578343 ASNLAYKMGMXPSY-JNNAGZRYSA-N 484.808 5.387 50 50 JKGA Cc1nc(C)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1CBr 100694614 FGWSOHIIBABMDZ-UHFFFAOYSA-N 489.417 6.396 50 50 JKGA Clc1sc(-c2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100722512 SBVPRRLSYZABSM-UHFFFAOYSA-N 456.958 6.083 50 50 JKGA C/C(=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2c(c1)C(C)(C)CS2 102295855 DCUCFOWKMANEPF-NJNXFGOHSA-N 479.649 7.467 50 50 JKGA C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3[C@H](Br)C(=O)[C@]12C 257347773 UBRJOFJFNRMMKB-OXGIFAMMSA-N 453.461 6.089 50 50 JKGA Cc1ccccc1OCc1ccc(/C=N/NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)o1 20419061 RQMYEULGINETBS-CUVDRZIWSA-N 456.567 6.151 50 50 JKGA CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(CC(C)(C)CC3=O)N2)cc1 729047 BAYQWVBKEYTVKO-HSZRJFAPSA-N 493.654 5.584 50 50 JKGA O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Br)[C@H](Br)c1ccccc1 1751351 YZCDLXPUEHWGSE-KGLIPLIRSA-N 451.080 5.544 50 50 JKGA Cc1ccc2nc(-c3ccc(OC(C)C)cc3)cc(C(=O)NNC(=S)NCCc3ccccc3)c2c1 2851237 BLWXNKCIXHBFKV-UHFFFAOYSA-N 498.652 5.349 50 50 JKGA C/C(=N\NC(=O)c1sc2cc(C)ccc2c1Cl)c1ccc(NC(=O)c2ccoc2C)cc1 8454273 KYZUNWRDGWKDIK-MZJWZYIUSA-N 465.962 6.171 50 50 JKGA O=C(NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1)c1cc(Cl)ccc1Cl 241720785 QSGWSQVSWMBXFG-UHFFFAOYSA-N 488.172 6.123 50 50 JKGA CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C[C@H](C)Cl)CC[C@]4(C)[C@@H]3CC[C@]12C 1772491651 QGDQJFKTMDHPQG-AGVNEWQBSA-N 491.200 9.245 50 50 JKGA Cc1ccsc1[C@@H]1C(C#N)=C(n2cccc2)N(c2ccccc2C(F)(F)F)C2=C1C(=O)CCC2 1432899 OANSLQIMGGQBJH-JOCHJYFZSA-N 479.527 6.880 50 50 JKGA Cc1ccc([N+](=O)[O-])cc1N1C2=C(C(=O)CC(C)(C)C2)[C@@H](c2cccs2)C(C#N)=C1n1cccc1 1432902 QBKULFQKLIPHAV-XMMPIXPASA-N 484.581 6.406 50 50 JKGA COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C(C(C)=O)=C(C)N2)c1 12250191 OWHXRVNXFNIDDX-HSZRJFAPSA-N 467.978 5.005 50 50 JKGA O=C(NNc1nc2ccc(Br)cc2s1)c1ccc(Nc2nccs2)cc1F 1875350922 FODCUACMXYBSSF-UHFFFAOYSA-N 464.345 5.155 50 50 JKGA N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)S(=O)(=O)c1ccccc1 2840709 ZDHOYNSFUFSIEG-HZHRSRAPSA-N 451.507 5.624 50 50 JKGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1ccccc1 4229970 LLRACKDQMBNVNQ-AJBULDERSA-N 472.548 5.882 50 50 JKGA C/C(=N/NC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2ccccc2F)c1 8456054 FWPPNHQXHLKRAG-VVXCTUDZSA-N 471.576 6.019 50 50 JKGA CCOC(=O)c1sc(N(CC(C)C)C(=O)c2cc(C3CC3)nc3onc(C)c23)nc1CCl 13642011 GENXHFOPSFABET-UHFFFAOYSA-N 476.986 5.083 50 50 JKGA CSc1ccccc1CN(C)N1C(=O)[C@](CCBr)(c2ccccc2)c2ccccc21 71767418 CGAMSASYQBSUJV-RUZDIDTESA-N 481.459 5.873 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 102271005 JVWMSQMZWHOTRR-WPWMEQJKSA-N 463.405 6.803 50 50 JKGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CC(C)(C)C3)cc1 713533 JIFWERSIQCVYCK-JOCHJYFZSA-N 467.491 5.655 50 50 JKGA Cc1ccc(COc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(-c4ccccc4)cc3)cc2)cc1 4283585 QHTYCZADYUBRPW-LPCYTTORSA-N 464.565 6.159 50 50 JKGA Cc1ccc2nc(Cl)c(/C=C(\C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2c1 8400184 SOZXCUHLOSWLDO-BUVRLJJBSA-N 463.993 8.051 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1cccc(C)c1 102274436 GXTXQHYFXDSUIJ-OVVQPSECSA-N 487.438 6.568 50 50 JKGA CC[C@@H](Nc1cccc(C)c1)C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1 245241068 WXOCVUQFVXUIIV-HSZRJFAPSA-N 480.406 5.677 50 50 JKGA CCOC(=O)N/N=C1/C=C2CC[C@@H]3[C@@H]4C[C@@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 253503788 ZGBFIPQSPKDRKC-AJCLAGRJSA-N 454.655 6.427 50 50 JKGA biogenic,in-vitro Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1 2531427 VKNJKCYDXNPRLB-JVWAILMASA-N 453.454 5.040 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(F)(F)F)cc1)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])s1 12402303 CPDBYJBRCKTACC-LJQANCHMSA-N 488.491 5.616 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])s1 12402351 QCILEWVTPCXCPN-IBGZPJMESA-N 488.491 5.616 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Br)cc2)=C(C#N)[C@H]1c1sccc1C 1199127 MSBRECRSZNYKTP-HXUWFJFHSA-N 487.444 5.720 50 50 JKGA CCOc1ccccc1/C=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 2318577 PIWMMSOQRSRYBT-SSDVNMTOSA-N 479.052 5.125 50 50 JKGA C=CCOc1ccccc1/C=N/NC(=O)[C@H](CC)Oc1ccc2ccccc2c1Br 2899117 MYLCOJINPGREFW-NTRYICDMSA-N 467.363 5.475 50 50 JKGA Cc1ccsc1[C@@H]1C(C#N)=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C1C(=O)CC(C)(C)C2 3666915 RVIAFOZZQOSFGX-JOCHJYFZSA-N 488.682 6.199 50 50 JKGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 4360355 KRBSUBPJGLBTIA-LQCVWJHPSA-N 498.966 6.144 50 50 JKGA COC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1ccc(OCc2ccccc2F)c(OC)c1 12402637 TXWGCEGZDWOMSV-RUZDIDTESA-N 474.488 5.168 50 50 JKGA COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OCc1ccc(Cl)cc1 16399643 UOKSCNSXMKPIHN-YVLHZVERSA-N 450.325 6.521 50 50 JKGA CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C1C(=O)CCC2 27550678 WLEOHVZAQXQGKQ-NRFANRHFSA-N 480.615 5.635 50 50 JKGA CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(C)cc2)N1 1136875 PBVABYKITAUIGZ-VWLOTQADSA-N 487.556 5.678 50 50 JKGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 4259158 IFNKZLAYIHPIMY-MJDZGMBVSA-N 452.510 5.285 50 50 JKGA COc1ccccc1N/C=C(\C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 16671891 CEZWFCFJDMFKLI-SAPNQHFASA-N 451.507 6.055 50 50 JKGA N#C/C(=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 20563017 RWRLQWCYJJSMOU-NDENLUEZSA-N 469.928 5.295 50 50 JKGA CCOc1ccc(OCC)c([C@H]2C(C#N)=C(N)N(c3cccc4ccccc34)C3=C2C(=O)CCC3)c1 1108575 AVMFWHQYMUSIGU-NDEPHWFRSA-N 479.580 5.942 50 50 JKGA O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H](Br)[C@@H](Br)c1ccccc1 2173081 GIKYIDFHENAVFO-KBPBESRZSA-N 451.973 5.832 50 50 JKGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3cccc4ccccc34)cc2)cc1 4210567 VQRWLIQQXPYJCY-MJDZGMBVSA-N 452.510 5.285 50 50 JKGA O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccccc2OCc2cccc3ccccc23)n[nH]1 4527990 NTXBGJUAECTJFO-KCSSXMTESA-N 485.547 6.054 50 50 JKGA COc1cc(CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(OC)c2c1OCO2 1848444067 HBFQAPMOTSQKIX-UHFFFAOYSA-N 485.540 5.359 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)c(Cl)c3)nnc2-c2ccccc2)cc1 1833430 HRUPVTHMWBFPNC-MZJWZYIUSA-N 496.423 5.792 50 50 JKGA COC(=O)c1cc(Br)ccc1-c1ccc(/C=C(\C#N)c2nc3ccccc3s2)o1 16293697 NHLVOKPNFHQFNY-JLHYYAGUSA-N 465.328 6.170 50 50 JKGA CC(C)N1CC2=C(OC(N)=C(C#N)[C@@H]2c2cccc(Cl)c2)/C(=C/c2cccc(Cl)c2)C1 19816536 XMKIULFQILPFQK-MPDXVOLHSA-N 452.385 5.863 50 50 JKGA CCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 102282192 UZRDPLADPBLFRH-FEZSWGLMSA-N 499.139 8.850 50 50 JKGA C[C@]1(Br)CC[C@H]([C@@](C)(Br)CBr)C[C@H]1Br 256167050 BQAKZPPEUZUAJR-JXUBOQSCSA-N 455.854 5.252 50 50 JKGA Cc1cccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)c1 4209531 OUSYEQLQDBQLGK-MZJWZYIUSA-N 478.957 5.611 50 50 JKGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2c(F)cccc2Cl)cc1 1120672 KAPITBDBBMQATE-JOCHJYFZSA-N 452.913 5.509 50 50 JKGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2506382 UKUJZMQYSYOBKO-IXORVSQSSA-N 457.313 5.130 50 50 JKGA C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 2543031 WVQKJTVUCXYUJI-IXORVSQSSA-N 457.313 5.130 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2cc(Cl)ccc2Cl)=C(C#N)[C@H]1c1ccccc1Cl 2921849 AJKBUGSGODKZJR-JOCHJYFZSA-N 491.827 6.548 50 50 JKGA COc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OC(=O)c1sc2ccccc2c1Cl 4209934 VCIBGKNFPPMYDE-MZJWZYIUSA-N 494.956 5.312 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1)c1ccccc1O 4210798 CIUGLUONUNDALH-DHRITJCHSA-N 450.903 5.243 50 50 JKGA CCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(OCC)c1 9013771 OQFJGHROKKIIKD-JLPGSUDCSA-N 452.579 7.339 50 50 JKGA COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)[nH]c2c1 16400956 FHTIMUIYMGYOAZ-PXNMLYILSA-N 495.322 6.430 50 50 JKGA C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C 196241329 DWIUSINKAVTSCC-CECGAKQYSA-N 498.912 10.649 50 50 JKGA CC(=O)O[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C(=O)[C@H](Br)[C@]12C 257347958 AADCNQYPXUSRGN-SYWXFZEISA-N 497.470 5.081 50 50 JKGA CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(CSc2ccccn2)c1 996995 GSVAEERRPYJIHZ-DEOSSOPVSA-N 499.592 5.165 50 50 JKGA O=C(COc1ccccc1Cl)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 2391586 PJZLKOIJKRWXLC-RPPGKUMJSA-N 477.731 5.395 50 50 JKGA COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OC(=O)c1ccc(C)cc1 4282742 YWFIPIFFIFVASM-RDRPBHBLSA-N 452.510 5.069 50 50 JKGA CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C/c1cnn(CC)c1 20215354 PVBSPPWOSJJWCK-CXUHLZMHSA-N 499.390 5.116 50 50 JKGA CCOc1cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2325809640 SPMIVLADVFCGDB-XDHOZWIPSA-N 480.347 6.710 50 50 JKGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O 1031675 NVVRCPUXOOYNJY-QFIPXVFZSA-N 462.937 5.498 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCCC3)C(N)=C(C#N)[C@H]2c1cccnc1 1437163 FGLFCLPMEPREPS-HSZRJFAPSA-N 469.614 5.225 50 50 JKGA Cc1cccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccccc2)c1 2076651 XXIPYJMRYOMKSF-ZJPLNPDKSA-N 463.331 5.140 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccccc1Cl 19849056 ZOKLGULJSVQADN-JVWAILMASA-N 496.423 5.874 50 50 JKGA N#CC1=C(N)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl 22002523 GGPRBESJAGNKMY-IBGZPJMESA-N 490.188 5.456 50 50 JKGA CC(C)(C)[Si](OCCC[C@H]1CC2=CCC[C@]3(C)[C@@H]2[C@H]3C1=O)(c1ccccc1)c1ccccc1 257358336 SVXWLSYXLYSVIN-GQDFKNHFSA-N 458.718 5.905 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(N)=C(C#N)[C@@H]2c1cccs1 2188854 RTOWTUBPCFBMSN-OAQYLSRUSA-N 460.628 5.501 50 50 JKGA O=C(N/N=C/c1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccc(O)cc1 2531282 CRAINOJJBCEBOD-CCVNUDIWSA-N 479.319 5.835 50 50 JKGA CCCCCCc1cc2cc(/C(C)=N\NC(=O)c3cc4ccccc4cc3O)c(=O)oc2cc1O 13509693 QRUZEKHPOACNOT-RHANQZHGSA-N 472.541 5.634 50 50 JKGA Cc1ccc(N/C=C(\C=O)c2nc3ccccc3o2)cc1N/C=C(\C=O)c1nc2ccccc2o1 18154129 SIFYPWGAWZGTMF-JIBZRZDWSA-N 464.481 5.581 50 50 JKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccccc1Br 102291252 DPOXZTZJSAZREG-HPNDGRJYSA-N 465.520 8.161 50 50 JKGA CO[Si](CCCCCCCCCCCOc1c(F)c(F)c(F)c(F)c1F)(OC)OC 169744986 OPIXAGPRZGMNHK-UHFFFAOYSA-N 458.540 6.150 50 50 JKGA CCOP(=O)(OCC)[C@@](O[Si](C)(C)C)(C(C)C)[P@@](=O)(OCC)C(=O)C(C)(C)C 169805863 GRVRDSSQQLJHNZ-DWXRJYCRSA-N 458.545 6.301 50 50 JKGA COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(C(C)(C)C)s3)C3=C2CC(C)(C)CC3=O)cc1 1057855 YSGJICMERDHBRE-QHCPKHFHSA-N 461.631 5.995 50 50 JKGA Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 1195132 FLDIHRLSVJUIIJ-GXDHUFHOSA-N 452.264 5.471 50 50 JKGA O=C(Nc1ccc(OC(F)(F)[C@@H](F)Cl)cc1)NC1(C(F)(F)F)Oc2ccccc2O1 2689774 OWOYNEJALGLEEV-CYBMUJFWSA-N 456.726 5.002 50 50 JKGA CCOP(=O)(OCC)[C@](O[Si](C)(C)C)(C(C)C)[P@@](=O)(OCC)C(=O)C(C)(C)C 169805867 GRVRDSSQQLJHNZ-QYBDOPJKSA-N 458.545 6.301 50 50 JKGA C[C@@]12C[C@H](Br)[C@H](Br)C[C@@]1(C)C[C@H](Br)[C@H](Br)C2 254871643 CXHKDKVYYZDCRY-QLARDWTMSA-N 481.892 5.641 50 50 JKGA COc1cccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)c1 8985836 VKMZAYHCJQKMCF-VFCFBJKWSA-N 485.613 5.192 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C(C)C)cc3)[nH]n2)cc1 102302041 IZDXYBHAEITCMM-ZTKZIYFRSA-N 460.622 6.703 50 50 JKGA C[C@@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 170171292 QQOFWFOBJUGLLJ-AVEIZBFRSA-N 452.889 5.243 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]4[C@@]34CC[C@]2(C1)OO4 257347277 CFMKCUWPLCALSC-NLYPPWNMSA-N 470.694 7.189 50 50 JKGA N#CC1=C(n2cccc2)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@H]1c1cccs1 1432926 ZAQBCISONAQCIQ-JOCHJYFZSA-N 465.500 6.572 50 50 JKGA CCCc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(OC)c3)c3ccccc3n2)cc1 2090162 MVHBMTJZFUONPI-RDRPBHBLSA-N 453.542 5.635 50 50 JKGA N#C/C(=C\c1ccccc1Br)c1ccc(/C(C#N)=C/c2ccccc2Br)cc1 2549188 IKILYVNJZFEPMG-JFMUQQRKSA-N 490.198 7.340 50 50 JKGA O=C(CCCCCCCCC(=O)N/N=C/c1cccc(Cl)c1)N/N=C/c1cccc(Cl)c1 4527666 WRPZIJZYIXTQCO-XUIWWLCJSA-N 475.420 5.715 50 50 JKGA CC1CCN(c2cc(/C=C(\C#N)c3nn(-c4ccccc4)c(N)c3C#N)c3ccccc3n2)CC1 19772149 OLMVGSHAUMCRDH-RCCKNPSSSA-N 459.557 5.175 50 50 JKGA N#C/C(=C\c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)C(=O)Nc1nccs1 20479761 NNPLPOQMBCUDOJ-BJMVGYQFSA-N 454.722 5.821 50 50 JKGA O=C1OC(=O)[C@H]2[C@H]3c4ccccc4[C@@H](c4cc5c(cc43)C3c4ccccc4C5c4ccccc43)[C@H]12 101010532 GKTGYQBTOQNKNB-BUYIKJGESA-N 452.509 5.580 50 50 JKGA C/C(=N\NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(NC(=O)c2cc(C)on2)cc1 1003457 HHSMJJMAEDVCQB-STBIYBPSSA-N 466.497 5.013 50 50 JKGA COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccccc1Br 1916493 RBFAVZJPGNWUOL-LDADJPATSA-N 498.760 6.160 50 50 JKGA COc1ccc([C@H]2CC(=O)NC(SCc3ccccc3)=C2C#N)cc1OCc1ccccc1 9330747 BTQHAEFWHMOQMV-JOCHJYFZSA-N 456.567 5.546 50 50 JKGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2ccc(C(C)(C)C)s2)C2=C1CCCC2=O 713508 OFJVPBUKNPEUOT-QFIPXVFZSA-N 452.023 6.312 50 50 JKGA BrC(Br)c1nc2ccccc2nc1C(Br)Br 1670789 PHJIAEAPYCJUOB-UHFFFAOYSA-N 473.788 5.207 50 50 JKGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c(OCC)c1 4335640 UQZWTLBCLPHVIK-STBIYBPSSA-N 492.959 5.216 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(n1cccc1)=C(C#N)[C@@H]2c1ccc2c(c1)OCO2 1432025 RJQTVVMBVKQREV-SANMLTNESA-N 499.517 6.134 50 50 JKGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1 2531219 HALZMDWNBLPYHB-JZNDDVEWSA-N 473.356 5.499 50 50 JKGA COc1cc([C@@H]2C(C#N)=C(n3cccc3)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1F 12402368 GIUIYPDPNDIMPH-HHHXNRCGSA-N 498.554 6.364 50 50 JKGA O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C/c1ccc(N(CCCl)CCCl)cc1 2369425 NOKYJMXBACHFIR-VUTHCHCSSA-N 485.459 5.345 50 50 JKGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 4209868 MKFXFRVHLFKWLP-STBIYBPSSA-N 471.944 5.731 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(Cl)c3)cc2)cc1 4261199 WOUPWDIJJPXGDC-OGLMXYFKSA-N 480.948 5.267 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2cccc(C)c2)nc2ccccc12)c1ccc(NC(=O)c2ccncc2)cc1 8454249 PZPYTFFZAQMDSR-XICOUIIWSA-N 499.574 6.012 50 50 JKGA N#C/C(=C\c1ccc(F)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 16513839 ZOIFESODWBGLFD-VGOFMYFVSA-N 453.292 5.882 50 50 JKGA COc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1CSc1ccccn1 19912739 SQIHKQXQPXJGMH-STBIYBPSSA-N 470.598 5.554 50 50 JKGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 102295378 FITMEGACXGFPRS-TURZUDJPSA-N 485.650 5.455 50 50 JKGA CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCCCl)CC[C@]4(C)[C@H]3CC[C@]12C 1772491749 GDOXPOQXTZCSGF-LOGZEPLDSA-N 491.200 9.247 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)cc2)cc1 2520060 ONDWBUGOXVZCIS-RDRPBHBLSA-N 468.509 5.317 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(N)=C(C#N)[C@H]2c1ccc(C(C)(C)C)s1 2570292 VGVGYQXELXJXHI-QFIPXVFZSA-N 466.050 6.640 50 50 JKGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OCc1ccccc1 2695719 IHJFELAJPTWHPO-UZWMFBFFSA-N 487.559 6.253 50 50 JKGA O=C(COc1ccc2ccccc2c1)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 4260062 VUDMKTMFCWIESD-ZCTHSVRISA-N 474.516 5.741 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)cc1 4282226 IAWLIXPZODKOCV-VFKGCLKRSA-N 494.975 5.656 50 50 JKGA O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2Cl)c(OC(=O)c2ccccc2)c1)c1ccccc1 4354611 XSRLDDGVNCAXOP-UXHLAJHPSA-N 498.922 5.542 50 50 JKGA O=C(N/N=C/C=C/c1ccccc1)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)[nH]n1 9374762 QFRWJRDMXXIXDM-ZJTIKOGTSA-N 456.933 5.738 50 50 JKGA C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 12342889 NIEKYKGPURFTFR-MWLSYYOVSA-N 457.917 5.605 50 50 JKGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3cccc(Br)c3)nc3ccccc32)cc1 13239198 UKGXAAHKVVZRDZ-VULFUBBASA-N 493.430 5.398 50 50 JKGA CC(/C=C\c1ccccc1)=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 252678610 GEKUNSPYFFOCRA-OKIXHPRASA-N 453.571 5.232 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(OC)cc1 2505926 KDENFLJGHKAKQO-MZJWZYIUSA-N 487.339 5.384 50 50 JKGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cc3ccccc3o2)cc1 4259364 WCLSZOYICLLFJI-VULFUBBASA-N 477.314 5.487 50 50 JKGA CCOc1ccccc1[C@H]1CC(=O)NC(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)=C1C#N 9330812 PFUTVXBBJGGBNN-HSZRJFAPSA-N 499.592 5.588 50 50 JKGA CCCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Sc1nc2ccccc2s1 20562667 KVHRYRWEKRHRBE-UMYHVIPVSA-N 478.437 5.479 50 50 JKGA C=CCn1c(-c2ccc(OCC)cc2)c(C)sc1=NNC(=O)c1ccc(Br)cc1 254379286 GCFXTFULDLECFI-UHFFFAOYSA-N 472.408 5.118 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCl)CC[C@]4(C)[C@H]3CC[C@@]21C 1857524461 XUXXPLDKUZSGKH-AGECUREYSA-N 463.146 8.178 50 50 JKGA COc1ccc([C@H]2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CC(C)(C)C3)cc1OC 713513 SXTRHTXADLIIBK-QHCPKHFHSA-N 497.517 5.663 50 50 JKGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 2520004 ZJCREJZBZKBAMR-MUFRIFMGSA-N 485.927 5.110 50 50 JKGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 2520212 BBIPBAZKXLFQCY-MUFRIFMGSA-N 485.927 5.110 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(Cl)cc1 2553390 SGICMUNYUSIDRE-STBIYBPSSA-N 472.928 5.875 50 50 JKGA COc1ccc(Cl)cc1NC(=S)NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 2855755 OMVSNPFGVDRLDN-FQEVSTJZSA-N 458.008 5.200 50 50 JKGA O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1 4209274 CELVPMWIOFADDH-UVHMKAGCSA-N 499.375 5.956 50 50 JKGA Cc1ccc(Cn2c(SCC(=O)N/N=C/C=C/c3ccccc3[N+](=O)[O-])nc3ccccc32)cc1 5350747 LOFUCTFQKBZJJM-AEQNYHIXSA-N 485.569 5.209 50 50 JKGA N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccc(Cl)cc1 9310999 ATPJHPPERSXRQE-FMIVXFBMSA-N 472.682 5.816 50 50 JKGA COc1ccccc1/C=C(\C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 16511532 AKFWTBSJOPYNBG-OVCLIPMQSA-N 465.328 5.752 50 50 JKGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)ccc1OCc1ccccc1F 20368448 MWCVFGRKLYZEAQ-DEOSSOPVSA-N 482.515 5.330 50 50 JKGA CC(C)(C)C(=O)N/C(=C\Sc1ccccn1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102298543 FJBLHQYZSFXXED-SLEBQGDGSA-O 497.624 6.129 50 50 JKGA CCCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3NC(=O)c3ccccc3)o2)cc1 334160598 IKTMWHWUHSPSDX-NDZAJKAJSA-N 495.535 5.530 50 50 JKGA N#CC1=C(n2cccc2)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@@H]1c1cccs1 1432925 ZAQBCISONAQCIQ-QFIPXVFZSA-N 465.500 6.572 50 50 JKGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br 2231225 BRVXPYOPZHGGEG-CVKSISIWSA-N 460.331 5.437 50 50 JKGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccccc2Cl)cc1 2521873 XBXZFTGKULLSAV-STBIYBPSSA-N 488.975 5.511 50 50 JKGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)cc1 15163200 QOGXLCWVFGAPFA-XMMPIXPASA-N 470.598 5.202 50 50 JKGA Br[C@H]1CC2C3C[C@@H](Br)[C@H](Br)CC2C3C[C@@H]1Br 101141121 LSPRBBUUWUVAOF-FISSGNJASA-N 479.876 5.106 50 50 JKGA O=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)N/N=C/c1c(O)ccc2ccccc12 1469534 NNWKYTIJDUECJB-ZCTHSVRISA-N 460.537 5.616 50 50 JKGA Cc1cc([C@@H]2C(C#N)=C(N)N(c3cccc(Br)c3)C3=C2C(=O)CC(C)(C)C3)c(C)s1 2520965 HLOJDNDIJBHMMG-OAQYLSRUSA-N 482.447 6.068 50 50 JKGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 2532151 CZRYIIAOPMUKPN-KVSWJAHQSA-N 490.774 5.106 50 50 JKGA Cc1cccc(OCC(=O)N/N=C/c2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)c1 2532269 HIEDZQLZFROOSQ-MUFRIFMGSA-N 472.928 5.550 50 50 JKGA N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cc(Cl)ccc1Cl 2669563 BMSYAXZALZYQKQ-YRNVUSSQSA-N 452.124 7.106 50 50 JKGA Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccccc1C(F)(F)F 2966646 NDONZYFSRQFSNV-FJEPWZHXSA-N 478.474 5.355 50 50 JKGA CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2c(F)cccc2F)C2=C1C(=O)CC(C)(C)C2 5949768 XAIKLYHUIABGMI-IBGZPJMESA-N 471.598 6.079 50 50 JKGA Cn1cc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)c2ccccc21 20428377 BOEOJLASNFQDRI-WKULSOCRSA-N 467.960 5.507 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](I)CC[C@]4(C)[C@@H]3CC[C@@]12C 255004125 PMVJGSYGUZXDAR-GWNZPOIFSA-N 496.561 8.831 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(N)=C(C#N)[C@@H]2c1ccc2c(c1)OCO2 1436412 NKZGMTAXVUNDLP-QFIPXVFZSA-N 481.474 5.375 50 50 JKGA COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1Br 1747197 UDCVNEOMVLHUHR-SFQUDFHCSA-N 468.734 6.394 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(N)=C(C#N)[C@H]2c1ccc(Cl)cc1 2187778 LYNMXMJEQPPZIH-OAQYLSRUSA-N 471.910 6.300 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 2542419 GVVCMFUPHAKNKR-VULFUBBASA-N 457.313 5.375 50 50 JKGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1 4229834 SIACXRXKNVZFCJ-OGLMXYFKSA-N 480.948 5.267 50 50 JKGA CCOc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)c1O 9007715 XDAOAAWNELWICR-MZJWZYIUSA-N 495.004 5.085 50 50 JKGA COc1ccc(-c2ccc(/C=N\NC(=O)[C@H]3COc4cc5ccccc5cc4O3)o2)cc1Cl 22077372 MOEMIBKSIRMEHO-SJYQVLOXSA-N 462.889 5.052 50 50 JKGA N#CCC(=O)N/N=C(\CCCC(=O)Nc1ccc(Cl)cc1Cl)[C@H](C#N)c1ccc(Cl)cc1 25585834 RCKPEZFBFUIKFG-GCJCZTCISA-N 490.778 5.449 50 50 JKGA COc1cc(/C=N/NC(=O)c2cc(-c3cc(C)ccc3C)nc3ccccc23)cc(OC)c1OC 673026 DMXKQRCPIOUJFF-MUFRIFMGSA-N 469.541 5.308 50 50 JKGA CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C1C(=O)CCC2 2381716 MYTUNVFWEWDPOI-OAQYLSRUSA-N 480.615 5.635 50 50 JKGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)N2c3c1cccc3[C@@](C)(c1ccccc1)CC2(C)C 2436205 ZWZLNBODSFVKLN-FIRIVFDPSA-N 493.607 5.127 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@H]2c1ccc(Cl)cc1 3117978 VGACJHSEWNBWJT-OAQYLSRUSA-N 471.910 6.300 50 50 JKGA N#C/C(=C\c1ccc(OCC(=O)c2ccccc2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 16320001 DDSAYOQBTNWXLA-KGENOOAVSA-N 467.506 6.044 50 50 JKGA C(=C/c1ccccc1)\C=N\c1ccc(SSc2ccc(/N=C/C=C/c3ccccc3)cc2)cc1 100892702 UTZIQCCOURHJMP-GXTDLMGOSA-N 476.670 9.317 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2cccc([N+](=O)[O-])c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 16676255 AIVAPJJOOUKBSI-QFIPXVFZSA-N 467.934 5.149 50 50 JKGA O=C(Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 239174213 PNNNISKKHJTMNW-YWALVYIISA-N 497.172 5.295 50 50 JKGA FS(F)(F)(F)(F)c1ccc(SSc2ccc(S(F)(F)(F)(F)F)cc2)cc1 258839865 XMLJBWKMAZHDRB-UHFFFAOYSA-N 470.444 9.801 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2Br)cc1 2531094 FTCMEFHTPIVPRW-LQKURTRISA-N 487.353 5.894 50 50 JKGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2532137 DSLWIIJVZDYSHP-KVSWJAHQSA-N 490.774 5.106 50 50 JKGA Cc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)N/N=C/c3cc4c(cc3[N+](=O)[O-])OCO4)c2c1 2755005 DPYMJKYPVRQQPK-IPPBACCNSA-N 496.523 5.734 50 50 JKGA Cc1ccc(OCC(=O)N/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1C 4229710 CVQVUONVMUVNMU-CCVNUDIWSA-N 492.984 5.920 50 50 JKGA CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)ccc1OCc1ccc(Br)cc1 16382993 PMWIAPHZGCALTF-XKZIYDEJSA-N 459.343 6.363 50 50 JKGA N#C/C(=C/Nc1cccc(C(F)(F)F)c1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 100480633 HMCYFQGAAOJGLJ-RAXLEYEMSA-N 484.415 5.820 50 50 JKGA CC(C=Cc1ccccc1)=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 2049340782 GEKUNSPYFFOCRA-UHFFFAOYSA-N 453.571 5.232 50 50 JKGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@H](c2ccc(C(C)(C)C)s2)C2=C1CCCC2=O 713507 OFJVPBUKNPEUOT-JOCHJYFZSA-N 452.023 6.312 50 50 JKGA CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cccc(C)c2)NC2=C1C(=O)CCC2 1296561 GWRBQQGDJXZXKK-VWLOTQADSA-N 473.598 5.195 50 50 JKGA COc1cc(/C=N/NC(=O)COc2cccc(Cl)c2Cl)ccc1OCc1ccccc1 2521708 BSNRWTDKYJPNOF-LGJNPRDNSA-N 459.329 5.110 50 50 JKGA N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 2743792 XZXVQNCEBPARDA-RGEXLXHISA-N 458.443 6.104 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)Nc2nc3ccccc3s2)=C(C#N)[C@H]1c1ccc(Cl)cc1 9009468 FWEIHMQSCZZUGA-JOCHJYFZSA-N 495.029 5.607 50 50 JKGA aggregator COC(=O)c1c(NC(=S)NNC(=O)c2csc3c2CCCC3)sc(C)c1-c1ccccc1 20294094 QDEHWNNAUDQAPJ-UHFFFAOYSA-N 485.656 5.082 50 50 JKGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 939040 KOCZHOSPZNNNMU-QHCPKHFHSA-N 470.960 5.644 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(N)=C(C#N)[C@@H]2c1cc(Br)cs1 1445378 VRMAOBRKVYHGGK-LJQANCHMSA-N 488.838 6.105 50 50 JKGA O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 2543181 PYWOPNLVVODTAF-UXHLAJHPSA-N 484.939 5.755 50 50 JKGA O=C(N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1)c1ccc(Cl)cc1 4229711 JREULTIUMSRBMU-LGJNPRDNSA-N 469.349 6.191 50 50 JKGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccccc1F 20176038 KGKZZKFMLAWUQC-DEOSSOPVSA-N 482.515 5.412 50 50 JKGA COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 20249741 BECGHTWPEJOZHX-MFKUBSTISA-N 489.984 5.599 50 50 JKGA COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Cl)c1OCc1ccccc1F 2837786 DTKVFLJHHYZDOU-HSZRJFAPSA-N 480.879 5.014 50 50 JKGA O=C(COc1cccc(Cl)c1)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 4258558 LSAGWBFHTZLHKW-WKULSOCRSA-N 462.908 5.740 50 50 JKGA Cc1cc([C@H]2C(C#N)=C(N)N(c3cccc(Br)c3)C3=C2C(=O)CC(C)(C)C3)c(C)s1 9981639 HLOJDNDIJBHMMG-NRFANRHFSA-N 482.447 6.068 50 50 JKGA Cc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)c3c2[C@H](Br)CCC3)cc1 15769501 HEYJMRQYNLWBEJ-AREMUKBSSA-N 455.419 7.378 50 50 JKGA c1ccc(P(CCCCCCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 59111434 BABUPOVYOOZOAE-UHFFFAOYSA-N 482.588 7.593 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OCCC)cc2)c(OCC)c1 102275219 FJTPAAMKMDNGJQ-JBASAIQMSA-N 496.648 6.684 50 50 JKGA CC[C@H](/C=C\[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)Cl)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 257347344 FOQAJGFTDYXPDS-WMBVLQKDSA-N 475.157 9.184 50 50 JKGA CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Cl)CC)CC[C@]4(C)[C@@H]3CC[C@]12C 1772491586 JKEJJFJGGOFWEL-NJAIVMCUSA-N 491.200 9.245 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1)C(N)=C(C#N)[C@@H]2c1ccsc1 705421 QUTGSBYBTMUJMW-IBGZPJMESA-N 454.393 5.451 50 50 JKGA CC(C)c1cc(C(C)C)c(S(=O)(=O)NNC(=O)c2cccc(Br)c2)c(C(C)C)c1 1234047 BSODVFVPCMPQSK-UHFFFAOYSA-N 481.456 5.443 50 50 JKGA COc1ccc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1OCc1ccccc1 13372270 QRBCBJGYXSLCPH-XKZIYDEJSA-N 492.556 6.568 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2)s1)c1ccc(Br)cc1 13563972 ZQWWXRHYTVOLKK-FYJGNVAPSA-N 493.477 5.225 50 50 JKGA Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)ccc1I 22130499 XFPONKFVLGPKOG-UYRXBGFRSA-N 481.337 5.553 50 50 JKGA CC(C)(C)[Si](C)(C)OC1[C@H]2OC3OC([C@@H]2OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O3 169836343 SETNUJLCPAWDRD-LJSMDTMUSA-N 484.665 5.028 50 50 JKGA C#CCC[C@@](C)(COC(=O)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169837652 DCPWWJKVQLCYGJ-NDEPHWFRSA-N 450.695 5.324 50 50 JKGA COC(=O)[C@@H]1[C@H](Cl)C(Cl)=C(Cl)[C@@](Cl)(C(Cl)Cl)[C@H]1C(=O)Nc1ccccc1 824121245 LLQDKSKOIVWRLI-ZESJGQACSA-N 480.002 5.122 50 50 JKGA C/C(=N\NC(=O)c1cnn2c(C)cc(-c3ccccc3)nc12)c1ccc(NC(=O)c2ccoc2C)cc1 673444 GJGMMZQQNJJXRD-KCSSXMTESA-N 492.539 5.012 50 50 JKGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 4209847 DUDWZRBPKGDFBV-FOKLQQMPSA-N 491.183 5.089 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)c1sc2ccccc2c1Cl 4210686 KONXSKMJVZFJHW-LGJNPRDNSA-N 480.929 5.252 50 50 JKGA CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc1OC 20175440 LCTLOLUMSNFEOK-RIYZIHGNSA-N 493.379 5.029 50 50 JKGA CC/C(=N/NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc(CC(C)C)cc1 20572531 MBTAXCGLOZAOLI-FSRJSHLRSA-N 470.016 7.298 50 50 JKGA O=CN/C(=C(\S)c1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101133912 QJQVYIRZSHHYQV-CYYJNZCTSA-O 474.973 5.636 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 1468849 RQAJDWQXIGVMFA-OVVQPSECSA-N 469.501 5.026 50 50 JKGA O=C(COc1ccccc1Cl)N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12 2544420 LETVMGWWILKXNF-WKULSOCRSA-N 493.346 5.895 50 50 JKGA O=C(COc1ccccc1)N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1 4229781 RFQPMCFZCZLJFV-VULFUBBASA-N 464.930 5.303 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2OCC)cc1 4295758 IQAMQQBMAPFUES-OGLMXYFKSA-N 480.948 5.511 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 100731783 TVDRXHFIBJWVSR-NLRVBDNBSA-N 463.538 5.488 50 50 JKGA C=C1[C@@H](OCOC)CC[C@@]2(C)[C@@H](O)C[C@H]3CC=C(O[Si](C)(C)C(C)(C)C)[C@@H](C[C@H]12)C3(C)C 169832920 HFESAKLVVJNCEX-JEAQLIFFSA-N 464.763 6.671 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 1198971 XUVVTCPQMADAFY-DEOSSOPVSA-N 450.991 5.858 50 50 JKGA O=C(Cc1cccc2ccccc12)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12 2553117 MOKDRIYCZIXQEH-BIZUNTBRSA-N 492.962 6.558 50 50 JKGA COc1cc(/C=N/NC(=O)COc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 2531198 HIVQVVDWDRANMD-MUFRIFMGSA-N 474.944 5.610 50 50 JKGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1Cl 4330719 HXURKXNMQAILFC-KBKYJPHKSA-N 482.150 6.283 50 50 JKGA N#C/C(=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 16671732 OTNZWAUSXKBRNR-XDHOZWIPSA-N 463.389 7.760 50 50 JKGA C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 25584308 YLPHWSFJJBMWHF-ZSAJPQEXSA-N 464.521 5.376 50 50 JKGA COc1ccc(/C=N/NC(=O)COc2cc(C)cc(C)c2)cc1COc1ccc2ccccc2c1 2090743 OEQXJVZZVJJVEX-OCSSWDANSA-N 468.553 5.573 50 50 JKGA Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1 4258596 YMABFHJPKGFPLJ-AFUMVMLFSA-N 451.320 5.049 50 50 JKGA COc1ccc(-c2nnc(SCC(=O)N/N=C/C(C)=C/c3ccccc3)n2-c2ccccc2)cc1 4464489 ZMWOASKYCLQGEY-QQLOIZATSA-N 483.597 5.241 50 50 JKGA COc1cccc(/C=C(\C#N)C(=O)Nc2nccs2)c1OCc1cccc(C(F)(F)F)c1 20274633 BEGYGNAKWYBGHH-LFIBNONCSA-N 459.449 5.295 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)c(OC)c1 102282753 PDAGTBYBJRXEOV-OVVQPSECSA-N 458.986 6.159 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 713529 OODXKNLPSINJQN-NRFANRHFSA-N 482.462 5.554 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)cc2OCC)cc1 2531823 HPGWKLNOVQPPOH-UXHLAJHPSA-N 498.535 5.326 50 50 JKGA O=C(Oc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](O)c1ccccc1)c1ccc(Cl)cc1Cl 4283513 PPBJCLXIPIOEMT-HQYUJTHISA-N 493.346 5.550 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1ccccc1O 13382299 BFTIULZJZQSTLB-WPWMEQJKSA-N 492.004 5.234 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)c(OCC)c1 102272809 ZKFYGALYXCHFTN-QUPMIFSKSA-N 466.622 6.676 50 50 JKGA N#CC(C#N)=C1C=C2N[C@]34CCCC[C@H]3[C@@H](c3ccccc3)C=C(c3ccccc3)N4C2=CC1=O 229864047 FGOLVDVSZTWLSE-BWQBABIRSA-N 456.549 5.311 50 50 JKGA N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(F)cc1F 826691997 STZHWPLXYWMGJI-NRFANRHFSA-N 473.262 5.709 50 50 JKGA Cc1ccc(SC(Sc2ccc(C)cc2)=C(C#N)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1857800858 XFBSEMFVHRQNQG-UHFFFAOYSA-N 461.568 6.219 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(Cl)c3)n2-c2ccccc2)cc1 2284414 INMOFDJZCVOWAJ-CVKSISIWSA-N 461.978 5.139 50 50 JKGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 4230102 BXBMGYIYBYNZEG-NDZAJKAJSA-N 464.521 5.410 50 50 JKGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)Cc2cccc3ccccc23)cc1 4260852 WLLQYXWJJNNZTR-RUMWWMSVSA-N 488.591 6.174 50 50 JKGA O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 4354174 MJVLAOXFKWNBIL-RPPGKUMJSA-N 476.747 5.315 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1cccnc1 8984616 DJZWAAGELGGWBS-JFLMPSFJSA-N 497.411 5.269 50 50 JKGA COc1ccc(-c2nn(Cc3ccccc3Cl)cc2/C=C(/C#N)C(=O)C(C)(C)C)cc1OC 20562878 SUUNSFRSWKWKGN-UNOMPAQXSA-N 463.965 5.791 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 102285083 QFBFLXMLUBYGAX-VUTHCHCSSA-N 491.459 7.584 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2ccc(OCc3ccccc3)cc2)ccc1OC(=O)c1ccccc1 2513452 SNQBBUZZAQMSCC-AJBULDERSA-N 494.547 5.647 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1cccc(NC(=O)C2CCC2)c1 8456182 UPUPKFNKRLLULU-DPNNOFEESA-N 496.998 6.448 50 50 JKGA CN1C(=O)[C@@]2(C(C#N)=C(n3cccc3)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 12402250 HTJRKBUYXPPRME-SSEXGKCCSA-N 474.564 5.258 50 50 JKGA Cc1cc2nc(/C(C#N)=C\c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)[nH]c2cc1C 16284159 UWNDDAMLRCLOIR-UYRXBGFRSA-N 463.516 5.976 50 50 JKGA O=P(Oc1ccc(F)cc1)(Oc1ccc(F)cc1)Oc1ccc([C@H](Cl)C(F)(F)F)cc1 22205718 QMUDWDVXTZPRFB-IBGZPJMESA-N 478.737 7.452 50 50 JKGA CC1(C)O[C@H](CP(c2ccccc2)c2ccccc2)[C@@H](CP(c2ccccc2)c2ccccc2)O1 6844876 VCHDBLPQYJAQSQ-LOYHVIPDSA-N 498.543 5.772 50 50 JKGA biogenic,in-vitro CN(C)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1 13239700 MOJOFMMGPDQOGO-JFLMPSFJSA-N 478.021 5.046 50 50 JKGA CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC([N+](=O)[O-])=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 118915736 AARKHEFUGCKAGW-OLSNINGUSA-N 450.107 8.240 50 50 JKGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3cccc(OC(=O)c4ccc(Cl)cc4)c3)cc2)cc1 2543708 XRLKTGHNLZTRTC-FDAWAROLSA-N 498.966 6.211 50 50 JKGA CCOc1cc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)ccc1OC(=O)c1ccccc1Cl 2839948 VWGOTKRIHKNPGY-WKULSOCRSA-N 494.975 5.412 50 50 JKGA CCc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1 4282830 NJESSNARUXAUPP-JFLMPSFJSA-N 495.373 5.068 50 50 JKGA Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 13382210 TUGRUXPDHFGXQF-VULFUBBASA-N 474.977 5.307 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1cccc(OC(=O)c2ccc(OC)cc2)c1 102280720 DCDXCOXMKNCFLN-SGWCAAJKSA-N 452.595 6.285 50 50 JKGA N#CC(NC(=O)c1ccc(Cl)cc1)=C(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1 238882051 CBJWPMTUUYQLAB-UHFFFAOYSA-N 491.852 7.654 50 50 JKGA CCc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)cc1 2354833 FIKFTHFNWMMBJG-OGLMXYFKSA-N 485.613 5.056 50 50 JKGA O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cccc2ccccc12 2570731 JOXRGPUPZHRUAH-LQKURTRISA-N 457.917 5.161 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)[C@@H]5O[C@@H]5[C@H](C)C(C)C)CC[C@@H]4[C@@]34CC[C@]2(C1)OO4 257349974 TUUMXOVLVDUNHM-DSQCOQMASA-N 488.709 6.480 50 50 JKGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(Cl)cc1 660209 XARNDBXZMMKBLZ-HSZRJFAPSA-N 464.949 5.378 50 50 JKGA COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C(C)C)cc3)C3=C(CCCC3=O)N2)c1 1240021 WMVAFWBVTFLKSD-AREMUKBSSA-N 487.625 5.620 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cc3ccccc3cc2O)cc1 2531096 QGVMUUATUWGQDU-FDAWAROLSA-N 474.516 5.990 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 4260772 SVCIVJWOZPOVJM-ZCTHSVRISA-N 470.544 6.501 50 50 JKGA CCCNC(=O)/C(C#N)=C/c1ccc(OC)c(CSc2nc(C(F)(F)F)cc(C)c2C#N)c1 20572854 ADTKCDKNPHMXPP-CXUHLZMHSA-N 474.508 5.015 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccc(OCc2ccccc2F)cc1 1068186 AJJIJMYRDUWSMF-QFIPXVFZSA-N 472.907 5.666 50 50 JKGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1 2266221 DZHZDSGSMUVFGF-LGJNPRDNSA-N 498.395 5.189 50 50 JKGA CCOc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2521770 LGRLIIQQHPIYCU-MZJWZYIUSA-N 487.339 5.140 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1ccc2ccccc2c1 5350494 KAQOWXZUCGDRMC-NJZRLIGZSA-N 478.621 6.179 50 50 JKGA N#C/C(=C/c1cccc(OCc2cccc(C(F)(F)F)c2)c1)C(=O)Nc1ccc2c(c1)OCO2 20437064 MHZGRFOZWQFNLE-NVMNQCDNSA-N 466.415 5.559 50 50 JKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cccc(Br)c1 102290608 XQICQKZUPLJHBC-HPNDGRJYSA-N 465.520 8.161 50 50 JKGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(-c4ccccc4)cc3)cc2)c1 4327615 IRFZBEAUGUXNNB-FKBXNUFCSA-N 478.548 5.799 50 50 JKGA COc1ccccc1C(=O)Nc1c(C(=O)N/N=C/c2ccc(C)cc2)sc2nc(C)cc(C)c12 12447488 XHKIPICJMBQNML-MZJWZYIUSA-N 472.570 5.246 50 50 JKGA COc1ccc(C(=O)COc2ccc(/C=C(\C#N)c3nc(-c4ccc(C)c(C)c4)cs3)cc2)cc1 16320084 VXMRRGHVMZJFRH-BUVRLJJBSA-N 480.589 6.761 50 50 JKGA CCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OCC)cc2)c(OCC)c1 102275570 PJHJPXNMVAKLJX-VFCFBJKWSA-N 468.594 5.904 50 50 JKGA CC(C)(C)[Si](C)(C)OC[C@@H]1CCN(c2cnc(Cl)c(I)c2)C1 169794129 LHQXTKWGOAUMSV-GFCCVEGCSA-N 452.840 5.188 50 50 JKGA in-vitro C[C@@H]1O[C@@](O)(C2(O)CCCC2)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 169833952 BRLLIOUHXZGGPA-PABYOWBDSA-N 460.804 5.570 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C(F)(F)F)cc3)n2-c2ccccc2)cc1 1791156 GXAVNFQXSFWKCO-WKULSOCRSA-N 495.530 5.504 50 50 JKGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@H](c2ccc(C(C)(C)C)s2)C2=C1CC(C)(C)CC2=O 2187806 HXZFALVNIVEINP-HSZRJFAPSA-N 480.077 6.948 50 50 JKGA CCOc1ccc(/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 16511703 CKBXYGHQOAQQHH-CXUHLZMHSA-N 479.355 6.142 50 50 JKGA CCS/C=C(\NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 33354884 REXLHHHTTKBTJK-WEMUOSSPSA-O 468.582 5.963 50 50 JKGA CCOc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c1OCc1ccc(Cl)cc1Cl 1472233 MWMRLMBVJPJVSX-FQEVSTJZSA-N 471.344 5.221 50 50 JKGA O=C(N(Cc1ccccc1)N=C(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1 2173499 UWELDMGQPQRQCL-UHFFFAOYSA-N 481.599 7.900 50 50 JKGA Cc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1 2330375 YYTZCHSJFOSSSG-CVKSISIWSA-N 461.978 5.139 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2Cl)=C(C#N)[C@H]1c1cccc(C)c1 2921791 LLWPBUQCKZSRAD-HSZRJFAPSA-N 471.409 6.203 50 50 JKGA CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2cccc(Cl)c2C)C2=C1C(=O)CCC2 5949782 RKLDHDWPKQBCMJ-FQEVSTJZSA-N 456.036 6.127 50 50 JKGA CCOc1cccc(-c2cc(C(=O)NNC(=O)Nc3ccc(Cl)cc3)c3ccccc3n2)c1 672897 TXEIFFNGPUALAP-UHFFFAOYSA-N 460.921 5.420 50 50 JKGA O=C(N[C@@H](C(Cl)(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1)c1ccc(F)cc1 1738787 KOFLBOVUVGODFO-HXUWFJFHSA-N 470.695 5.266 50 50 JKGA CCc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 1830980 DLVUQEMVWDXULO-SSDVNMTOSA-N 463.053 5.289 50 50 JKGA O=C(Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 2573255 CEGMPVRXCBMMEO-BRJLIKDPSA-N 492.156 5.739 50 50 JKGA CC(C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 2597701 NVWRBUBGHCVALJ-JFLMPSFJSA-N 450.922 5.212 50 50 JKGA O=C(N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc2c(c1)OCO2 4229802 YUAAUKZWVPAKQJ-RPPGKUMJSA-N 478.913 5.267 50 50 JKGA Cc1ccc(N2C3=C(C(=O)CC(C)(C)C3)[C@H](c3sccc3C)C(C#N)=C2n2cccc2)c([N+](=O)[O-])c1 12447341 HEXAHUBAMAZEHT-XMMPIXPASA-N 498.608 6.714 50 50 JKGA CC[C@]1(C)Cc2ccccc2-c2nc(NNC(=O)Cc3ccccc3)n(CCc3ccccc3)c(=O)c21 16394037 PBUMLWLMJYCCEQ-WJOKGBTCSA-N 492.623 5.063 50 50 JKGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3cc(C(F)(F)F)ccc3Cl)C3=C2C(=O)CCC3)cc1 713501 CUOAHTVMZVYWRK-OAQYLSRUSA-N 473.882 5.672 50 50 JKGA Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 1195435 CNPNUZIVRANBHC-GXDHUFHOSA-N 452.264 5.471 50 50 JKGA CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1196883 XQNUURPWTPVALH-NBVRZTHBSA-N 454.442 5.178 50 50 JKGA CCCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCC)cc3)cc2)cc1 4283465 JBIDPLOLEMPDCN-VUTHCHCSSA-N 474.557 5.176 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)c2ccccc2)N1 8442058 MERKJUHGADBKIX-SANMLTNESA-N 465.578 5.637 50 50 JKGA COc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12 100032634 KRWTWSSMURUMDE-UHFFFAOYSA-N 468.536 7.427 50 50 JKGA in-vitro COC(=O)/C(=N/N=C(\C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 102311902 NDUNYKFAGCRZPU-LUBBKMSUSA-N 479.540 5.019 50 50 JKGA COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)[C@H](Br)[C@]12C 257348980 KLRIHFBNZZHISJ-ZHINCIJDSA-N 483.487 5.699 50 50 JKGA O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/C(Cl)=C/c1ccccc1 1791395 YGLWVYKFGKFKHJ-HENZHIBLSA-N 495.482 5.958 50 50 JKGA COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(=O)c1ccc(Cl)cc1 2571710 JJXUHLKKKXVRIK-WKULSOCRSA-N 494.975 5.529 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(-c3ccccc3)cc2)=C(C#N)[C@H]1c1cccc(C)c1 2921780 QAMQIICYQGJXJQ-GDLZYMKVSA-N 478.617 6.563 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2Cl)=C(C#N)[C@@H]1c1ccc(Cl)cc1 6242604 JVLWPTHDRCXADZ-QFIPXVFZSA-N 491.827 6.548 50 50 JKGA COc1ccc2nc(Cl)c(/C=C(\C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2c1 16511305 KRAYVCNSQBXISE-OEAKJJBVSA-N 479.992 7.751 50 50 JKGA CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H](SC#N)[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 43758910 OZCSWRIJMBFXQD-XFZZKJBZSA-N 485.778 8.152 50 50 JKGA CCCCCCCCc1cc(CBr)c(CCCCCCCC)cc1CBr 59703605 VITVDJKNJCFNBT-UHFFFAOYSA-N 488.392 9.282 50 50 JKGA C[C@H](c1ccc2c(c1)C(C)(C)CCO2)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100696616 OQDYVHGOFQYEMW-XMMPIXPASA-N 451.570 6.802 50 50 JKGA CCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(OC)cc1 102284380 KDNQBKBOZYWGRY-YZSQISJMSA-N 489.410 5.878 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2)s1)c1cccc(Br)c1 8863232 HQLDBVGNXZLXHA-FYJGNVAPSA-N 493.477 5.225 50 50 JKGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1 9375163 GRLDSWFNBVSUBN-XODNFHPESA-N 499.785 6.380 50 50 JKGA Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cccc(Br)c2)c1 19800638 HFMUKVVXNTVIEH-CVKSISIWSA-N 459.347 5.374 50 50 JKGA CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2F)c2ccccc12 20549856 VTSDZKCBTZUXRD-CPNJWEJPSA-N 487.556 6.001 50 50 JKGA CCCCCCCCCCCCCCCCN1C=C/C(=C\C=C(/C#N)C(=O)OCC)c2ccccc21 100167120 WQJMOIBRHOOROL-UFSUQUSASA-N 490.732 8.898 50 50 JKGA COc1ccc(CN(c2ccccc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 100290972 QKNFHTYMRFQMEQ-UHFFFAOYSA-N 474.564 6.611 50 50 JKGA O=C(N/N=C/[C@@H]1C[C@H]2C[C@H]1[C@]1(F)C(F)(F)C(F)(F)[C@]21F)c1sc2ccccc2c1Cl 252320597 CQBOJQYDZLICJW-AZDMREONSA-N 466.834 5.627 50 50 JKGA C=CCOc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 2080825 VTXGYOWFWBLDRN-DEOSSOPVSA-N 459.977 5.846 50 50 JKGA COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)c([N+](=O)[O-])cc1OCc1ccccc1 9235533 KPAZQZRHTDKFLX-RGVLZGJSSA-N 454.486 5.740 50 50 JKGA CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2cccc(Br)c2)C2=C1C(=O)CCC2 5949780 XXKHTJAWHBGGPC-IBGZPJMESA-N 486.460 5.927 50 50 JKGA N#CC1=C(SCc2ccccc2Cl)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1Cl 13174798 RVKFXIOELFLXNU-HXUWFJFHSA-N 475.828 7.009 50 50 JKGA O=C(NNC(=S)Nc1cccc(Cl)c1Cl)c1sc2cc(Cl)ccc2c1Cl 1118948 ZJJOBTZJGIVRJU-UHFFFAOYSA-N 465.214 6.146 50 50 JKGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(OCc4ccccc4)cc3)cc2)c1 2542758 DKKTVHUHVXGKPR-ZCTHSVRISA-N 494.547 5.322 50 50 JKGA Brc1ccc(P(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1 59439973 GMRACXJRJFIBHU-UHFFFAOYSA-N 498.980 5.732 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCl)CC[C@]4(C)[C@@H]3CC[C@@]12C 257358997 XUXXPLDKUZSGKH-RKZFTCAQSA-N 463.146 8.178 50 50 JKGA CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)cc1 2187638 YUONJUGBEFWZPQ-XMMPIXPASA-N 491.433 5.600 50 50 JKGA CCOc1ccccc1C(=O)N/N=C/c1c(OC(=O)c2cccc(C)c2)ccc2ccccc12 2531539 OZLPXKWMMIGPCX-RDRPBHBLSA-N 452.510 5.530 50 50 JKGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Br)cc1 2553570 OSRBTUWHLKTXCO-BRJLIKDPSA-N 492.156 5.739 50 50 JKGA CSc1oc(/C=C/c2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102311451 IMUOQDQOFUJWEG-GHVJWSGMSA-N 478.577 6.186 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@@H]2c1ccc(C(C)(C)C)s1 1057076 LYZNQWGEJKVRRA-JOCHJYFZSA-N 476.602 5.895 50 50 JKGA Cc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C(CC(C)(C)CC3=O)N2)cc1 1112653 SAQIAFYYKMNEED-XMMPIXPASA-N 487.581 5.585 50 50 JKGA CCOc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 1818276 DFPRRVTVIFWARC-SSDVNMTOSA-N 479.052 5.125 50 50 JKGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)N2c3c1cccc3[C@](C)(c1ccccc1)CC2(C)C 2349731 ZWZLNBODSFVKLN-CONSDPRKSA-N 493.607 5.127 50 50 JKGA C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2543137 OSZJVJAERLRCRT-ZKJHFGPLSA-N 491.758 5.784 50 50 JKGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccc3ccccc23)cc1 2553811 QNPVTURQJDOWET-ZCTHSVRISA-N 474.516 5.985 50 50 JKGA CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)ccc1O 13239697 ULBDDOBSDWICGJ-MZJWZYIUSA-N 495.004 5.085 50 50 JKGA COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 20367367 PVHYBVQDVMIADZ-DEOSSOPVSA-N 464.525 5.191 50 50 JKGA CC1(C)CC[P@@+](CP(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc21 100696707 GYBUPPLBXNUYLU-JGCGQSQUSA-N 453.526 6.427 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC([N+](=O)[O-])=C4C[C@@H](Cl)CC[C@]4(C)[C@@H]3CC[C@@]12C 254744430 AARKHEFUGCKAGW-CUFFGTPWSA-N 450.107 8.240 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccc(C(=O)O)cc2)ccc1OCc1c(Cl)cccc1Cl 1776111468 ZPJFCFQKAPMILY-RPPGKUMJSA-N 473.312 5.043 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccccc2C)c1 2531606 CFFHLGDUNUORPY-STBIYBPSSA-N 452.510 5.205 50 50 JKGA N#C/C(=C\c1cccc(Br)c1)c1ccc(/C(C#N)=C/c2cccc(Br)c2)cc1 2549198 QULPOSHBAMADGA-XHQRYOPUSA-N 490.198 7.340 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2584684 DIPGADFVXWPNBS-RPPGKUMJSA-N 461.276 5.124 50 50 JKGA CN1C(=O)[C@]2(C(C#N)=C(n3cccc3)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 12402251 HTJRKBUYXPPRME-PMERELPUSA-N 474.564 5.258 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccc(F)cc1 13382289 XZJXUHCWJBLINS-JVWAILMASA-N 479.968 5.359 50 50 JKGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1c(Cl)cccc1Cl 102285288 KFXJKQAXKSMVAA-WPWMEQJKSA-N 456.458 6.261 50 50 JKGA CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2cccc(Cl)c2)C2=C1C(=O)CCC2 5950082 SKBPDWNNPWXCFA-NRFANRHFSA-N 470.063 6.381 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C(n1cccc1)=C(C#N)[C@@]21C(=O)Nc2ccccc21 12402283 MTKJKXFHWUDDCZ-GDLZYMKVSA-N 478.527 5.373 50 50 JKGA Cc1nn(-c2ccccc2)c(Cl)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97950873 GFLHTASURFUDFW-UHFFFAOYSA-N 453.933 5.454 50 50 JKGA CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 2878047 IZWWOHRTZCJVGW-JMIUGGIZSA-N 451.881 6.219 50 50 JKGA CCCCc1ccc(OCC(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 4282700 XJEMHNSLVVDRPM-AJBULDERSA-N 480.564 5.931 50 50 JKGA COc1cc([C@H]2CC(=O)NC(SCc3ccccc3Cl)=C2C#N)cc(Br)c1O 9374907 AKTKKNYSNUKGSB-CYBMUJFWSA-N 479.783 5.089 50 50 JKGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OCc3ccc(Cl)cc3)[nH]n2)cc1 16976950 MMGZTHPIAKVAOU-JFLMPSFJSA-N 460.921 5.082 50 50 JKGA N#CC1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 25782360 YXKMGNFWAVDJNT-HXUWFJFHSA-N 488.853 5.572 50 50 JKGA CC(C)OC1=C(OC(C)C)[C@]2(O)[C@@H]3CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3[C@H]3CCC[C@]32C1=O 169834796 BSEGXXLCKDYGMT-QQIBSISESA-N 478.746 5.969 50 50 JKGA CN(C)c1ccc(C=NNC(=O)CCn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1 252426660 IWPAGRYCRFFRHW-UHFFFAOYSA-N 453.373 5.708 50 50 JKGA O=C1c2ccccc2[C@@H](c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)N1CCCCl 334163447 SJHUCCZKVNUELZ-NDEPHWFRSA-N 450.969 7.162 50 50 JKGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C(C)C)cc3)n2-c2ccc(C)cc2)cc1 1800657 FDWFZPHNGSVPKU-STBIYBPSSA-N 499.640 5.617 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3Cl)nnc2-c2ccc(Cl)cc2)cc1 2360766 GFGDEZHYFJPFCS-MZJWZYIUSA-N 496.423 5.792 50 50 JKGA CN1C(=O)[C@@]2(C(C#N)=C(n3cccc3)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CCC3)c2ccccc21 12416849 FIGSTQYPQVDVAF-MUUNZHRXSA-N 498.945 5.414 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccc(F)cc1 13940738 OCULLFQCYMIUDB-TURZUDJPSA-N 473.577 5.323 50 50 JKGA O=C1C[P+](c2ccccc2)(c2ccccc2)CCC[P+](c2ccccc2)(c2ccccc2)C1 100696868 GJTNNVLNWGHHCQ-UHFFFAOYSA-N 468.517 5.296 50 50 JKGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 102295118 CIJZFCOZFOSOMT-RDRPBHBLSA-N 486.012 5.266 50 50 JKGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(-c4ccccc4)cc3)cc2)cc1 4210838 QVQXBHNFSUFREU-NDZAJKAJSA-N 464.521 5.410 50 50 JKGA COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)cc1 4329585 GYYPYSPNHNMJKG-DHRITJCHSA-N 487.737 5.094 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1cccc2ccccc12 13688820 YNEXHMQOECYPCD-NDZAJKAJSA-N 478.577 5.171 50 50 JKGA O=C(O)c1ccc2c(c1)[C@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1ccc(F)cc1)N2 229976387 SIPUAVBPFFADQX-NCIBMYPZSA-N 498.963 6.471 50 50 JKGA C/C(=N\NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(NC(=O)c2ccccc2Cl)cc1 669065 IBQMEXXETRCLSE-MUFRIFMGSA-N 472.932 5.710 50 50 JKGA Cc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1 4347154 ZXHFKUBIGPMZBA-DHRITJCHSA-N 471.738 5.394 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/C=C/c1ccco1 5359372 NZZNTOCWBSIZBU-BZCVXYEQSA-N 450.951 5.239 50 50 JKGA COc1cc(/C(C)=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)ccc1O 55374223 VLOVFVBGZWEPIT-LQKURTRISA-N 495.004 5.085 50 50 JKGA O=C(NN=Cc1ccc(Cl)cc1Cl)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 245240716 RWRJRJAXAAZVLF-UHFFFAOYSA-N 484.290 5.547 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](OC(=O)CCl)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@]12C 257348907 JYFIEJVIHNYZAE-WNHJNXMWSA-N 463.146 7.868 50 50 JKGA COC(=O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@]34CC[C@@]5(C[C@H](OC(=O)c6ccccc6)CC[C@]5(C)C3=CC[C@@]12C)OO4 257350116 UUHHCZJOUIVZEG-JFUUQHKMSA-N 494.628 5.807 50 50 JKGA CCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1 4366392 VBZYLKUVAJDLCP-JVWAILMASA-N 495.373 5.150 50 50 JKGA CC/C(=N/NC(=O)c1cc(-c2ccc(CC)cc2)nc2c(Cl)cccc12)c1ccc(OC)cc1 20572502 SXETXRJREUZUEH-GDWJVWIDSA-N 471.988 6.670 50 50 JKGA CC(C)c1cc(C(=O)NNC(=S)Nc2ccc(Br)cc2Cl)c(O)c(C(C)C)c1 2853179 YYFFLCWTGRTZBX-UHFFFAOYSA-N 484.847 5.686 50 50 JKGA CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4260531 GTYJTUVCPOJYCA-PXGAOIJESA-N 489.330 5.659 50 50 JKGA C/C(=N/NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2cccc(F)c2)c1 20568793 WQTXVJPUASVZAC-XNAITOFYSA-N 471.576 6.019 50 50 JKGA C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 195789200 LQMPINNWAPYALU-OPAMFIHVSA-N 455.627 5.389 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C(n1cccc1)=C(C#N)[C@H]2c1ccc2c(c1)OCO2 1432635 ATSLKNNTLZMPJF-AREMUKBSSA-N 481.527 5.995 50 50 JKGA CCc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C)cc1 2532270 JYIIWXGHQXGENK-JFLMPSFJSA-N 495.373 5.068 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)Cc2ccccc2)cc1 2544397 RKCINSGKVWEUBP-WPWMEQJKSA-N 495.373 5.150 50 50 JKGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 4282356 OEDGRFAMIISQJO-JZNDDVEWSA-N 471.340 5.439 50 50 JKGA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 4287393 LJVLQZDBEUOJQB-OWAQKBPCSA-N 477.775 6.143 50 50 JKGA N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1 8455961 HCZYBRQCTZQMDF-FNZWTVRRSA-N 462.509 5.293 50 50 JKGA CCCOc1c(Br)cc(Br)cc1/C=C(/C#N)c1nc2cc(C)ccc2[nH]1 16667688 AXHCCGNTKMIRBP-ZSOIEALJSA-N 475.184 6.249 50 50 JKGA CCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1 102272722 FKGASIRORJOVCU-JVWAILMASA-N 479.404 6.422 50 50 JKGA CO[C@@H]1C[C@@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1C(C)=O 254848729 KUJXAJMABXMSCW-SCNREQGGSA-N 460.775 7.170 50 50 JKGA CCCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(OCc2ccccc2)cc1 2952297 VGQNQEOYKLBXPI-JVWAILMASA-N 497.389 5.346 50 50 JKGA Cc1cccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)c1 100701133 JLZHFDPKQJHPFY-AFAVFJNCSA-N 494.065 5.619 50 50 JKGA CCOC(=O)[C@@H](C(C)=O)C(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100701853 QRDQWFKMIIJAIV-QHCPKHFHSA-N 486.355 5.396 50 50 JKGA CC(C)(C)[Si](C)(C)OCC[C@H]1OC[C@]1(/C=C\I)OCc1ccccc1 169835297 LKHNWMBEEUAVLR-VHTZEAEFSA-N 474.455 5.701 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3cccc4ccccc34)cc2)cc1 4283190 YDJNAUCLPOLEJL-PAYBXDNHSA-N 482.536 5.375 50 50 JKGA CCOc1ccccc1/C=C(\C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 22780657 ZUFLXGKRKMOPFG-CPNJWEJPSA-N 450.519 6.533 50 50 JKGA N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1cccc(Cl)c1 1216270 OQVPECZUBFLLBY-SFQUDFHCSA-N 481.733 5.867 50 50 JKGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C(C)C)cc3)n2-c2ccccc2)cc1 1762711 GQGHZXQKEADZRK-OGLMXYFKSA-N 485.613 5.309 50 50 JKGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 4259420 MUHQAJYYSZOABY-OGLMXYFKSA-N 480.948 5.267 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCCCC)cc3)cc2)cc1 4261036 ZGBRQMYWNLZUSC-MWAVMZGNSA-N 488.584 6.028 50 50 JKGA COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C(C(C)=O)=C(C)N2)c1 12250192 OWHXRVNXFNIDDX-QHCPKHFHSA-N 467.978 5.005 50 50 JKGA CSc1ccc([C@@H]2C(C#N)=C3N=C(N)c4c(sc5c4C4CCN5CC4)N3C3=C2C(=O)CCC3)cc1 12371895 RKBUETWUJNJKKT-HXUWFJFHSA-N 499.665 5.232 50 50 JKGA COc1cccc(COc2ccc(Br)cc2/C=C(\C#N)S(=O)(=O)c2ccccc2)c1 2851353 JYCBPIQKZPKPRS-HYARGMPZSA-N 484.371 5.375 50 50 JKGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3)cc2)cc1 4231363 XZGRYRUZVSXFOU-RDRPBHBLSA-N 467.525 5.086 50 50 JKGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 4292372 ZEPDIIIRTLBZRS-STBIYBPSSA-N 478.976 5.575 50 50 JKGA CC(/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)=C\c1ccco1 5359157 AACMEOZFZMCUNK-PGOKMECLSA-N 464.978 5.629 50 50 JKGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccccc3Cl)n2-c2ccccc2)cc1 9010285 AYNPPDWNGJYXPO-WPWMEQJKSA-N 492.004 5.229 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2cc(Cl)ccc2Cl)=C(C#N)[C@H]1c1ccccc1 9600699 ATECWYFPVAMOQF-JOCHJYFZSA-N 457.382 5.894 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1c(OC(=O)c2ccc(C)cc2)ccc2ccccc12 102282066 JZKNDSVXHQRXPF-MWAVMZGNSA-N 458.602 6.958 50 50 JKGA CCSc1oc(/C=C\c2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 104203953 ZEVWPWYFYSLIHF-VHXPQNKSSA-N 492.604 6.576 50 50 JKGA FS(F)(F)(F)(F)c1cccc(/N=N/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1 258833648 KYYYHYMBASPLTJ-NVQSTNCTSA-N 475.486 10.229 50 50 JKGA COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 2506314 CRSVEFCPUWFZQM-DHRITJCHSA-N 487.737 5.094 50 50 JKGA O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2530497 JARGDMCOVNCYAM-UXHLAJHPSA-N 470.956 6.115 50 50 JKGA COc1ccccc1P(CCP(c1ccccc1)c1ccccc1OC)c1ccccc1 2531011 QKZWXPLBVCKXNQ-UHFFFAOYSA-N 458.478 5.269 50 50 JKGA in-vitro Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c1 2531600 WQHBRFDJAWBGGK-OKCVXOCRSA-N 499.954 5.418 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1 2543874 FEJXEPKELMVJAX-LQKURTRISA-N 485.367 6.155 50 50 JKGA N#C/C(=C\Nc1ccc(I)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 2906505 KSLZMJLPZIWRGV-UKTHLTGXSA-N 473.295 5.120 50 50 JKGA COc1ccc([C@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)cc1 15163203 QOGXLCWVFGAPFA-DEOSSOPVSA-N 470.598 5.202 50 50 JKGA Cc1ccc(C(=O)COc2ccc(/C=C(\C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)cc2)cc1 16320055 YMHGWRIJOFBSTK-WSDLNYQXSA-N 480.545 6.173 50 50 JKGA COc1cc(Nc2c(C#N)cnc3cc(OCCCCl)c(OC)cc23)c(Cl)cc1Cl 22012788 GASHKCRNJZBFBE-UHFFFAOYSA-N 466.752 6.182 50 50 JKGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)CCCCCCCCCCC 102294441 ZIUBJWXDSIYMDW-OVVQPSECSA-N 494.474 5.501 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc4ccccc34)nnc2-c2ccccc2)cc1 2327905 VAZWBEHDUPMVJO-RDRPBHBLSA-N 477.593 5.638 50 50 JKGA COc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3Cl)ccc3ccccc23)cc1 2568807 PCCWJTXHQGVVPQ-WKULSOCRSA-N 493.346 6.138 50 50 JKGA CCc1ccc(-c2cc(C(=O)N/N=C/c3cc(OC)c(OC)cc3OC)c3ccccc3n2)cc1 689217 SZOBKZVQSWMCNV-STBIYBPSSA-N 469.541 5.254 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1c(F)cccc1F)C(n1cccc1)=C(C#N)[C@@H]2c1ccc2c(c1)OCO2 1432029 CRIDJCWMIKMWRV-VWLOTQADSA-N 499.517 6.134 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1 2342448 ZZTZUVHRBANHKQ-GBUKGSFUSA-N 498.568 5.058 50 50 JKGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2ccccc2OCc2ccc(Cl)cc2)n[nH]1 5319147 XTFHAUDTUOICOF-OKCVXOCRSA-N 496.954 5.932 50 50 JKGA CCCCCCCCC(=O)N/N=C/c1c(OC(=O)c2ccc(OC)cc2)ccc2ccccc12 102282261 FXBBQMHYYDDTBJ-ZTKZIYFRSA-N 460.574 6.268 50 50 JKGA CCCCCCCCCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1O 102285025 OTUAWEZVWBWOCD-NCELDCMTSA-N 453.465 7.086 50 50 JKGA N#CC(C#N)=C1C=C2N[C@]34CCCC[C@H]3[C@H](c3ccccc3)C=C(c3ccccc3)N4C2=CC1=O 253487109 FGOLVDVSZTWLSE-VQGKEWTASA-N 456.549 5.311 50 50 JKGA N#CC1=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 714791 MONJWLILAJCQDK-HSZRJFAPSA-N 458.562 5.333 50 50 JKGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2c(F)cccc2Cl)cc1 1120671 KAPITBDBBMQATE-QFIPXVFZSA-N 452.913 5.509 50 50 JKGA Cc1ccccc1[C@H]1C(C#N)=C2NC(=O)c3c(sc4c3CCCCC4)N2C2=C1C(=O)CC(C)(C)C2 2185997 UDYTYKJWMGYDSI-QHCPKHFHSA-N 483.637 6.051 50 50 JKGA aggregator CC(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1 2299010 NMNWKHYZXBYNEV-JFLMPSFJSA-N 495.373 5.321 50 50 JKGA N#C/C(=C\c1ccc(Br)cc1)c1ccc(/C(C#N)=C/c2ccc(Br)cc2)cc1 2549205 OQBGVHBOOWMCPK-JFMUQQRKSA-N 490.198 7.340 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)C23CC4CC(CC(C4)C2)C3)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 9041986 PRQRNPUNLALXHA-ZZQKJMNASA-N 491.613 5.398 50 50 JKGA C/C(=N/NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1cccc(NC(=O)C(C)C)c1 20572524 LZMIRDABVYLQDM-CAQPMQTCSA-N 484.987 6.304 50 50 JKGA CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)c2C)cc1 22130627 BWNPLNXSAWGZFV-KGENOOAVSA-N 461.949 5.778 50 50 JKGA Cc1ccc(NC(=O)CC/C(CC(=O)C(C)(C)C)=N/NC(=O)c2c(O)ccc3ccccc23)cc1C 102300093 FSFNIFXHJLALKY-VAMRJTSQSA-N 487.600 5.672 50 50 JKGA CCc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C(C(C)=O)=C(C)N2)cc1 1198977 SPUCRFNQBLANHJ-DEOSSOPVSA-N 450.991 5.803 50 50 JKGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1 2521798 SDIBADACGPGPRB-CCVNUDIWSA-N 492.366 5.243 50 50 JKGA CCCCCOc1ccc(/C=N/NC(=O)c2[nH]c3ccc([N+](=O)[O-])cc3c2-c2ccccc2)cc1 2888155 VHMTVRHRHQPXAQ-MTDXEUNCSA-N 470.529 6.076 50 50 JKGA CCCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 4365924 DWLKKRUICKPIAD-OGLMXYFKSA-N 464.949 5.431 50 50 JKGA N#C/C(=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1 20533898 GXTHXHXXKXVAIP-QGOAFFKASA-N 456.889 5.797 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(C)cc1 102267521 RXLKENHLTOWSGE-OVVQPSECSA-N 487.438 6.568 50 50 JKGA CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Cl)CC)CC[C@]4(C)[C@H]3CC[C@]12C 1772491587 JKEJJFJGGOFWEL-YYQBDJRJSA-N 491.200 9.245 50 50 JKGA C=CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CC(C)(C)C3)cc1 2801509 ZHLPORUFBYEESD-XMMPIXPASA-N 493.529 6.211 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1c(OC(=O)c2ccc(C)cc2)ccc2ccccc12 102273148 DZUCNHCLLFMYCW-AWSUPERCSA-N 486.656 7.738 50 50 JKGA Cc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 2293461 KJNVNIOVNNBZSQ-RDRPBHBLSA-N 483.641 5.783 50 50 JKGA COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2584995 UTBNXBWFWGAVRT-RPPGKUMJSA-N 477.731 5.639 50 50 JKGA Cc1ccc2nc(Cl)c(/C=C(\C#N)c3nc(-c4ccc(Br)cc4)cs3)cc2c1 16511430 BXKDEZXWVDOJGH-LICLKQGHSA-N 466.791 7.147 50 50 JKGA COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc([N+](=O)[O-])cc3Br)n2)cc1 16671778 PKRKGZJFTNZEKP-JLHYYAGUSA-N 457.309 5.466 50 50 JKGA O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3c(ccc4ccccc34)N[C@H]2c2ccccc2)[C@@H]1Cl 239347243 MNJHTWREHWCETR-OXUQAVOTSA-N 487.024 7.787 50 50 JKGA CCOc1ccc(OCC)c([C@@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)c1 1109717 WZUCOPOHSXMEQS-XMMPIXPASA-N 497.517 5.808 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OCc1ccc(Cl)cc1 2584734 LZSCPCGTAIVYGP-MUFRIFMGSA-N 474.944 5.940 50 50 JKGA C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 8453637 ABKVWEVUYYUGJE-DHRITJCHSA-N 490.810 5.499 50 50 JKGA O=C(N/N=C/c1c[nH]nc1-c1ccccc1)c1sc2cccc(Br)c2c1Cl 13321836 BEOZPVXQJRMGKV-AUEPDCJTSA-N 459.756 5.471 50 50 JKGA Cc1cccc2cc(/C=C(\C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)c(Cl)nc12 16511593 CEVDINOUZBGCRB-VCHYOVAHSA-N 455.926 6.491 50 50 JKGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(-c2c(Cl)cc(Cl)cc2Cl)o1 625577 WKLGQHRLNBWHNV-KRWDZBQOSA-N 453.709 5.552 50 50 JKGA N#CSc1ccc2nc(N[C@@H](NC(=O)c3ccccc3)C(Cl)(Cl)Cl)sc2c1 1573761 PYHXOOBFHHBWLU-OAHLLOKOSA-N 457.795 5.408 50 50 JKGA O=C(N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 2532255 ZMJJVTKUZQLVIP-JFLMPSFJSA-N 473.872 5.385 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)c1cccc(Br)c1 4210272 CCCRSNNWZKZVBO-ZMOGYAJESA-N 457.711 5.086 50 50 JKGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccc(-c4ccccc4)cc3)nc3ccccc32)cc1 5359107 SQCPMMHNCVZOCR-ZCTHSVRISA-N 490.632 6.302 50 50 JKGA CC/C(=N\NC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc12)c1ccc(Cl)s1 8454727 QCCZYNSJYPMVPI-TURZUDJPSA-N 479.989 6.178 50 50 JKGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)c1OCc1ccccc1Cl 20274641 QUXLDFIHHMTOLS-JOCHJYFZSA-N 484.943 5.536 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(n1cccc1)=C(C#N)[C@@H]2c1ccc2c(c1)OCO2 1432632 MYOUFDJZYLRIRF-SANMLTNESA-N 497.982 6.510 50 50 JKGA C=CCOc1ccccc1/C=N/NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1Br 2899119 MYLCOJINPGREFW-RHKYMZEHSA-N 467.363 5.475 50 50 JKGA Cc1cc(OCC(=O)N/N=C/c2cc3ccccc3nc2Cl)c(C(C)C)cc1Br 4209346 FDEBHSUMAFHYHH-OPEKNORGSA-N 474.786 5.612 50 50 JKGA CC1=CC[C@@H]2[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@]2(C)C(=O)[C@@H]2CC=C[C@H]12 169831144 GGCVQNDESLMNQL-NFXNTRJNSA-N 484.756 6.459 50 50 JKGA Cc1ccc([N+](=O)[O-])cc1N1C2=C(C(=O)CCC2)[C@@H](c2cccnc2)C(C#N)=C1n1cccc1 1433024 BXXISQVWMWDCIA-DEOSSOPVSA-N 451.486 5.103 50 50 JKGA Cc1ccccc1C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 2520016 IQNMLMLHYROVAG-UZWMFBFFSA-N 486.575 6.191 50 50 JKGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3cccc(OCc4ccccc4)c3)cc2)cc1 2530356 SQOZPMFQSDGNIY-VUTHCHCSSA-N 499.592 5.139 50 50 JKGA O=C(COc1cccc(Cl)c1)N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl 4209501 YMAXTQFWVBFUHR-UVHMKAGCSA-N 499.375 5.956 50 50 JKGA Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4s3)c(Oc3ccc(F)cc3)nc12 8642525 IPZHFKHGSYRBNT-DTQAZKPQSA-N 454.486 5.608 50 50 JKGA in-vitro O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cccc(Cl)c3N[C@H]2c2ccc(F)cc2)[C@@H]1Cl 252427915 KBFKAEYOXGRGEG-KXWVNSKHSA-N 489.399 7.426 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 2531861 CCZFVAHNMOVOIV-OGLMXYFKSA-N 483.480 5.130 50 50 JKGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1OC 2542552 CUHFFMXVMCDMPM-MZJWZYIUSA-N 494.956 5.555 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2cc(Cl)ccc2Cl)=C(C#N)[C@@H]1c1ccccc1Cl 2921846 AJKBUGSGODKZJR-QFIPXVFZSA-N 491.827 6.548 50 50 JKGA CCc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3Cl)C3=C2C(=O)CC(C)(C)C3)s1 6284063 UBNPBCMERSGWBA-NRFANRHFSA-N 482.993 5.813 50 50 JKGA C/C(=N/NC(=O)c1ccc(-c2ccccc2)cc1)c1cccc(NC(=O)COc2ccccc2)c1 12648928 QINBFUPYCPNUII-YQYKVWLJSA-N 463.537 5.525 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccccc1C(F)(F)F 13208760 FJHHZHLDANXBBM-CCVNUDIWSA-N 468.504 5.346 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1)c1cccc([N+](=O)[O-])c1 13644438 FNCDCCDJNACJMK-JVWAILMASA-N 489.919 5.371 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1 2187777 LYNMXMJEQPPZIH-NRFANRHFSA-N 471.910 6.300 50 50 JKGA C[C@H](Oc1cccc2cccnc12)C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 2933644 IMQXJEOXRJRYRU-LVGRRZFUSA-N 479.515 5.144 50 50 JKGA N#C/C(=C\c1cccc(I)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 8922510 MTWIJINVSLJOBZ-WUXMJOGZSA-N 483.161 6.786 50 50 JKGA N#C/C(=C\c1cc2cc(Br)ccc2nc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 8989941 HWJIYMVEJZRFNU-OVCLIPMQSA-N 497.761 6.747 50 50 JKGA C=C[C@@](C)(CO[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](OC)[C@@]23C(=O)CC[C@@H]2CC[C@@H](C)[C@@]13C 169830435 JCZOIXZBXUZEHN-JGBDXLSMSA-N 450.736 6.364 50 50 JKGA C=C(OCC)c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO[Si](C)(C)C(C)(C)C 202046412 UYXQFMNKCKHQNJ-UHFFFAOYSA-N 466.702 6.408 50 50 JKGA C/C(C=O)=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]([C@](C)(O)CO)[C@@]4(CCC(=O)O)C[C@@]34CC[C@]12C 261493097 XDQDTZXKPKVGKT-RVQOWJNDSA-N 488.709 5.775 50 50 JKGA biogenic O=C(N/N=C/c1cccc2ccccc12)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1 9374915 FZYOPWCRWWODNN-OCSSWDANSA-N 480.955 6.226 50 50 JKGA COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1808348 GTWFZCBOEPPKSF-LVTOSSQHSA-N 460.873 5.940 50 50 JKGA CCn1c(SCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nnc1-c1ccc(OC)cc1 2337262 PVSGAGGFXVIAAU-WPWMEQJKSA-N 487.585 5.008 50 50 JKGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 2520254 YMCRBVNBEZDJBP-FJEPWZHXSA-N 489.934 5.609 50 50 JKGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OCCCC)cc2)cc1 4282347 UGBIXRKTNOUMIB-TWKHWXDSSA-N 486.568 5.342 50 50 JKGA CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 4302990 XXVWZEPNRQSIJH-HVAQTUQNSA-N 487.383 5.889 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2cccc([N+](=O)[O-])c2)=C(C#N)[C@H]1c1ccccc1Cl 12250533 HDWKIOSCEGCLTI-JOCHJYFZSA-N 467.934 5.149 50 50 JKGA Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(C(=O)O)cc1 12445258 WQCMDUBFZYCGMI-WQRHYEAKSA-N 464.319 5.101 50 50 JKGA CC[C@@H](C)Oc1c(I)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OC 16447661 FFJSOGJFBBKZNH-ZLYHGVDXSA-N 477.298 5.239 50 50 JKGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cccc(Cl)c2)cc1 2520120 JWONAQGRYKQUDF-OGLMXYFKSA-N 458.949 5.745 50 50 JKGA CC(C)c1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1 2544005 ZAMXMBNRJGBDLI-CCVNUDIWSA-N 485.367 5.865 50 50 JKGA COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)[nH]n1 9374922 KSGXRUMIDXWBGS-SBQOZUNCSA-N 486.959 5.747 50 50 JKGA Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 22107676 WORZNWLLGMBHEA-CVKSISIWSA-N 461.978 5.139 50 50 JKGA CCOc1ccc(Cl)cc1NC(=O)N(NC(=O)Nc1cccc(Cl)c1)c1ccccc1 25693693 HUKXLZNDMRGYDR-UHFFFAOYSA-N 459.333 6.167 50 50 JKGA O=C(N/N=C/c1cc(Br)ccc1O)c1ccccc1OCc1ccc(Cl)cc1 2584897 QWUBVYWYONLBHQ-WYMPLXKRSA-N 459.727 5.151 50 50 JKGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cccc(Br)c2)cc1 2934359 PFHKSNDWSXETOU-CVKSISIWSA-N 475.346 5.074 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 2543871 QWUXYKBQVCJRJG-UVHMKAGCSA-N 491.758 6.029 50 50 JKGA CN1C(=O)Oc2ccc3ccccc3c2[C@@H]1OO[C@@H]1c2c(ccc3ccccc23)OC(=O)N1C 100742385 MAGJZFKZNASVGV-PSWAGMNNSA-N 456.454 5.527 50 50 JKGA CCCCCCCCC(=O)N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12 102276509 LAHRMBSSXKVUPM-VUTHCHCSSA-N 464.993 6.913 50 50 JKGA COc1cc(/C=N/NC(=O)CCn2c3ccc(Cl)cc3c3cc(Cl)ccc32)ccc1O 1190344 QIZAVROWNHGNFX-LGJNPRDNSA-N 456.329 5.356 50 50 JKGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 4360320 YIOZMVUIICNUJU-IXORVSQSSA-N 457.313 5.130 50 50 JKGA O=C(N/N=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12)c1c(O)ccc2ccccc12 13321951 AZPGFAMSBHEBFV-WKULSOCRSA-N 453.929 5.966 50 50 JKGA CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccccc1 20549858 CSYDGEAIFIAOSA-HMMYKYKNSA-N 482.565 5.712 50 50 JKGA Br[C@H]1CC23C=CC2(C[C@H]1Br)C[C@@H](Br)[C@@H](Br)C3 101044451 ZWHWSQOPWQCLCG-NRHVMQQASA-N 477.860 5.171 50 50 JKGA CC(C)c1ccc(-c2nn(-c3ccccc3)cc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 628286 OCFSEPBSLYJRJI-AREMUKBSSA-N 478.596 6.114 50 50 JKGA CC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 2520017 FNOPNENJONHDMO-YBNTXHARSA-N 477.369 5.582 50 50 JKGA CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2c(F)cccc2F)C2=C1C(=O)CCC2 2520935 QSUQLNKJEDPCDZ-HXUWFJFHSA-N 471.598 6.005 50 50 JKGA CCc1ccc(OCC(=O)N/N=C/c2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 2531519 NBJRDNFLMGDRQK-UXHLAJHPSA-N 466.537 5.459 50 50 JKGA O=C(N/N=C/C=C/c1ccccc1)c1cc(-c2cccc(OCc3ccccc3Cl)c2)[nH]n1 4528007 DTJWMUFIKSOXKJ-SUPJHKBISA-N 456.933 5.738 50 50 JKGA O=C1OC(=O)c2c1c(-c1ccccc1)c(-c1ccccc1)c(-c1ccccc1)c2-c1ccccc1 100017109 RSKXGCFFFZIWNC-UHFFFAOYSA-N 452.509 7.665 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1 102301386 MAWOUXUVCBPNNV-NLRVBDNBSA-N 473.411 6.259 50 50 JKGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1c(O)ccc2ccccc12 2699896 RIEPJFPWJAZQJK-OGLMXYFKSA-N 479.565 5.036 50 50 JKGA Cc1cc(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c(C(C)C)cc1Br 2900342 GOHOKKIKQPJJIH-WKULSOCRSA-N 489.413 6.716 50 50 JKGA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 4287398 LJVLQZDBEUOJQB-QJXMJWHHSA-N 477.775 6.143 50 50 JKGA S=C=Nc1cccc(NC(=S)NCCCCNC(=S)Nc2cccc(N=C=S)c2)c1 8022491 QOHNRGHTJPFMSL-UHFFFAOYSA-N 472.690 5.208 50 50 JKGA aggregator,in-vitro COc1ccc(C(=O)N/N=C\c2cn(Cc3c(F)cccc3Cl)nc2-c2ccccc2)cc1 8456181 QFALUKCPMAWBNL-MUXKCCDJSA-N 462.912 5.163 50 50 JKGA Cc1ccc([N+](=O)[O-])cc1N1C2=C(C(=O)CC(C)(C)C2)[C@H](c2ccsc2)C(C#N)=C1n1cccc1 12462362 HGBVZLMYZSCYSR-XMMPIXPASA-N 484.581 6.406 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/C=C/c1ccccc1 13239612 PPIKVTRUZYGFIQ-ZAHGHWQKSA-N 460.990 5.646 50 50 JKGA CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccco3)c2C)sc2c1CCCC2 1195942 MLUMJKHQHOUJQM-CPNJWEJPSA-N 477.586 5.028 50 50 JKGA COCc1cc(/C=N/NC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)ccc1OC 2089950 SNSNGLXQECEBHV-OCSSWDANSA-N 467.569 5.944 50 50 JKGA O=C(c1ccc(CCc2ccccc2)cc1)[C@@H](Br)[C@@H](Br)c1ccccc1 3122167 YJRLKDSWLXTWTP-VXKWHMMOSA-N 472.220 6.554 50 50 JKGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(OCc4ccccc4)cc3)cc2)cc1 4209736 NXRPDZXELLBGJG-ZCTHSVRISA-N 494.547 5.322 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccccc1Cl 8439281 SQBLIKCEVRPLTJ-JOCHJYFZSA-N 457.382 5.894 50 50 JKGA Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4[nH]3)c(Oc3ccc(Cl)cc3Cl)nc12 9292776 FHSTYFQMCVQHFO-RVDMUPIBSA-N 488.334 6.043 50 50 JKGA CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C1C(=O)CC(C)(C)C2 27550696 NZEHQKOAJJRIOU-FQEVSTJZSA-N 480.615 5.628 50 50 JKGA COc1ccc(C=NNC(=O)c2ccccc2O)cc1COc1cc(C)c(Cl)cc1C(C)C 252680154 WQQAKWGXZBCEEC-UHFFFAOYSA-N 466.965 5.829 50 50 JKGA O=C(N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12)c1ccc(Cl)cc1Cl 2532258 MIZYJWBNIABPKR-IPPBACCNSA-N 497.765 6.783 50 50 JKGA C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1ccc(NC(=O)c2ccccc2Cl)cc1 8400018 YQSUNKCJSVSCNC-JFLMPSFJSA-N 484.781 5.438 50 50 JKGA N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1 8455960 HCZYBRQCTZQMDF-IBVKSMDESA-N 462.509 5.293 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](Br)C(=O)[C@](C)(CCC(=O)O)[C@@H]3CC[C@@]12C 257348986 KPIZABGNNPKJMS-MVCFOALUSA-N 483.531 7.115 50 50 JKGA O=C(N/N=C/c1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12)c1cccc(Cl)c1 2530383 LMVXTCYVZYSFQP-IPPBACCNSA-N 497.765 6.783 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1 2543215 TUFQBPDFWRRJDY-MZJWZYIUSA-N 487.339 5.140 50 50 JKGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1cccc(Cl)c1 4296213 HRMZXBRZCAFCCL-DHRITJCHSA-N 471.738 5.394 50 50 JKGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 4360298 XPGAKMWTPBDQJK-OGLMXYFKSA-N 480.948 5.267 50 50 JKGA N#C/C(=C\c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2c(=O)[nH]1 9223186 LLELSZPRNDYNHV-LPYMAVHISA-N 473.580 5.641 50 50 JKGA CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3c(=O)[nH]2)cc1 9462115 VVHVHTDLYBVEQO-CAPFRKAQSA-N 475.577 5.952 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCl)CC[C@]4(C)[C@@H]3CC[C@@]12C 253525026 XUXXPLDKUZSGKH-HHBDIPANSA-N 463.146 8.178 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 102273373 ADZFPGRIIMDZGE-ZTKZIYFRSA-N 473.057 7.299 50 50 JKGA CCOC(OCC)[C@@H]1C[C@H]2[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](CC)[C@H](C)C[C@@H]32)C1=O 169830662 HFUWDNDQYUAWBG-TWPQKTJXSA-N 452.752 6.299 50 50 JKGA COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 2280240 SJYQYYKDPCGCOR-JFLMPSFJSA-N 492.004 5.147 50 50 JKGA CCOc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 2331738 PJVFXXVEZQCXLK-JVWAILMASA-N 492.004 5.229 50 50 JKGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 4230337 QPEJJYQZFUAQCX-SVMUSQEWSA-N 472.928 5.630 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1sc2ccccc2c1Cl 4282063 WOBSCRUTAALCDQ-MUFRIFMGSA-N 484.964 6.691 50 50 JKGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4Cl)cc3)n[nH]2)cc1 9375173 RQGGZZUOWPHUSB-LQKURTRISA-N 474.948 5.472 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3c(F)cccc3Cl)[nH]n2)cc1 102302046 KKEUGCQDYQEHSG-OGLMXYFKSA-N 470.976 6.372 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC(=O)[C@]4(C)[C@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@H]4[C@@]34CC[C@]2(C1)OO4 257348434 FNOFNCIBAJVYBM-YLCXRWOFSA-N 486.693 6.592 50 50 JKGA Cc1nn(-c2ccccc2Cl)c(Cl)c1/C=C(\C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1875363366 WCFCAILTBAFCBL-XYOKQWHBSA-N 499.707 6.705 50 50 JKGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)c1 2529730 KHTPYJJBANYUHY-RWPZCVJISA-N 464.949 5.520 50 50 JKGA Cc1ccc(OCC(=O)N/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1 3095206 GKDYSCAYHXBBSB-MZJWZYIUSA-N 478.957 5.611 50 50 JKGA C/C(=N/NC(=O)c1cc(-c2cccc(Cl)c2)nc2ccccc12)c1cccc(NS(C)(=O)=O)c1 20572773 NVHWELQGZWPCAW-NTFVMDSBSA-N 492.988 5.081 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCl)CC[C@]4(C)[C@@H]3CC[C@]12C 242722789 XUXXPLDKUZSGKH-JHHXMQESSA-N 463.146 8.178 50 50 JKGA O=C(Oc1ccccc1/C=N/NC(=O)c1ccccc1OCc1ccccc1)c1ccc(Cl)cc1 2542423 WHQCTDOXQHESHJ-UXHLAJHPSA-N 484.939 5.902 50 50 JKGA O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(NS(=O)(=O)c2ccccc2)cc1 4231821 WOSZPUUNSQKEEN-VUTHCHCSSA-N 479.561 5.558 50 50 JKGA COc1ccc2cc(/C=C(\C#N)c3nc(-c4ccc(Br)cc4)cs3)c(Cl)nc2c1 16310917 RNBWVRFCCNGREH-CXUHLZMHSA-N 482.790 6.847 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)c1ccc(Cl)cc1 20158760 VJOLCOBXAUZDHW-IPPBACCNSA-N 468.771 7.016 50 50 JKGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 102293580 VGSMXHKIAVFJHS-TWKHWXDSSA-N 473.621 5.246 50 50 JKGA O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccc(F)cc3)Nc3c(F)cccc3[C@@H]2[C@H]1Cl 239425947 VMVWNRGZUWPWQV-GXPUJQSHSA-N 472.944 6.912 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)[C@H]2c1ccc2c(c1)OCO2 1432020 UXQDPTKIPTYMCZ-AREMUKBSSA-N 481.527 5.995 50 50 JKGA CSc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1 2358134 AUPYSEFSUULSJI-SRZZPIQSSA-N 460.675 5.103 50 50 JKGA O=C(N/N=C/C=C/c1ccccc1)c1cc(-c2cccc(OCc3ccc(Cl)cc3)c2)[nH]n1 4528020 RPXPDOCJGUHQJQ-OZEOTOAESA-N 456.933 5.738 50 50 JKGA C/C(=N\NC(=O)c1c(O)ccc2ccccc12)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1 13322005 VAHYOJGEWNFSLD-OCSSWDANSA-N 487.943 5.370 50 50 JKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OCC(=O)O)cc1 102316476 IRURLAJUWWBQGC-XAYXJRQQSA-N 460.659 6.862 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)c2ccc(C)cc2)N1 841820 JWUVQZZNIWFANN-RUZDIDTESA-N 485.634 6.007 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2529581 KNQZZFAWCNMJHA-LGJNPRDNSA-N 473.312 5.081 50 50 JKGA COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 2597248 ZHJNHIRZNVPEBI-LGJNPRDNSA-N 459.329 5.110 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(Br)cc2)c1 4335692 CBDMKKQMNIZDSV-LQKURTRISA-N 487.353 5.894 50 50 JKGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 2391615 AENLYTRPBLZTNI-MZJWZYIUSA-N 491.956 5.171 50 50 JKGA CCc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 2597491 GNYQDTZPBZVTMC-NDZAJKAJSA-N 497.668 6.037 50 50 JKGA O=C(NNC(=O)c1cccc(COc2cc(Cl)ccc2Cl)c1)c1ccc(Br)cc1 2754772 BUPSTNYYHLOMIE-UHFFFAOYSA-N 494.172 5.410 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1ccc(Cl)cc1 3184603 LTWXMYZDDCXAPY-ZMOGYAJESA-N 457.711 5.086 50 50 JKGA CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N(C1CCCCC1)C1CCCCC1)[C@@H](OC(=O)CCl)C2 215874596 SJOHDHIPPUYCTN-NSXLHWASSA-N 474.107 5.261 50 50 JKGA C/C(=N\NC(=O)c1ccc(C)s1)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 667308 JZZQWWHBWWWTOF-VULFUBBASA-N 476.385 5.535 50 50 JKGA CC(C)(C)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 1768655 OYLUTDMXZKDDIN-OGLMXYFKSA-N 456.615 5.625 50 50 JKGA Cc1ccc(OCC(=O)N/N=C/c2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)cc1 2532305 ZVPOVAGTXKSESI-MUFRIFMGSA-N 472.928 5.550 50 50 JKGA O=C(COc1ccc2ccccc2c1)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 4282979 DLXZAEMPNPKWTB-KCSSXMTESA-N 478.523 6.240 50 50 JKGA C/C(=N\NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1cccc(NC(=O)C(F)(F)F)c1 20157839 RWYQITHRYKHHOA-YKKQWCMESA-N 471.504 5.561 50 50 JKGA COc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1ccc(C(C)C)cc1 20550357 DEXKGHDUVLUPMK-HYARGMPZSA-N 484.552 5.714 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1c(OC(=O)c2cccc(C)c2)ccc2ccccc12 102274752 PNRDYQKTGMRHAA-AWSUPERCSA-N 486.656 7.738 50 50 JKGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccccc1OCc1ccccc1 102295342 VQNHAKSXNDGWHP-MWAVMZGNSA-N 465.638 5.753 50 50 JKGA CC(C)OC1=C(OC(C)C)[C@]2(O)[C@@H]3CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3[C@H]3CCC[C@]32C1=O 257355607 BSEGXXLCKDYGMT-GJGIQQITSA-N 478.746 5.969 50 50 JKGA COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@@H]1c1ccccc1 875441 WTMAAFJYLKBCAI-MHZLTWQESA-N 495.604 5.646 50 50 JKGA COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)O)cc1 12419356 ZXQIDGGKRAIFAJ-UNOMPAQXSA-N 462.889 5.171 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 12562277 AOJLOYHYXRERBV-LGJNPRDNSA-N 469.397 5.634 50 50 JKGA O=C(NN=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2cccc3ccccc23)cc1)c1cccnc1 252680108 WAPZXPYHUXWSQN-HKBQPEDESA-N 495.586 6.354 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc(C)c(C)c2)cc1 2530619 NSWHKVFFGRWCSD-OCSSWDANSA-N 466.537 5.513 50 50 JKGA CCc1c(C)sc(NC(=S)NNC(=O)c2csc(C)c2-c2ccc(C)cc2)c1C(=O)OC 2851386 YIDSARDJXIWKPO-UHFFFAOYSA-N 487.672 5.382 50 50 JKGA O=C(N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc(Br)o1 4282265 CHWADFGWCLVWHM-LGJNPRDNSA-N 467.294 5.677 50 50 JKGA C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 4292825 MFSRFXSLJCUYEU-NXYZXBHKSA-N 457.313 5.130 50 50 JKGA Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Br)cc2F)c1C 6184758 HSHCBFBHQLOLGT-MFOYZWKCSA-N 486.772 6.503 50 50 JKGA Cc1ccc2[nH]c(/C(C#N)=C\c3cc(Br)ccc3OCc3ccc(C(=O)O)cc3)nc2c1 16383933 SFNHJPCKZXQZOP-ODLFYWEKSA-N 488.341 5.975 50 50 JKGA N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)c1nc2ccccc2[nH]1 16399585 LELINJTZLITRKP-ODLFYWEKSA-N 455.315 5.840 50 50 JKGA COc1ccc2c(Cl)c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3ccccc3)sc2c1 25583948 FRIABLRHSREABA-RWPZCVJISA-N 486.984 6.180 50 50 JKGA c1ccc(CSc2scnc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 49767282 ASTYJZOQEFVJQO-UHFFFAOYSA-N 468.607 6.055 50 50 JKGA COc1cc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c(OC)cc1Cl 1790308 VZOVCDNIZCPYCS-KAMYIIQDSA-N 465.918 5.564 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3F)nnc2-c2ccc(Cl)cc2)cc1 2373146 CTFABWALSXAFIJ-MZJWZYIUSA-N 479.968 5.278 50 50 JKGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1 2530625 QNYDZCNZLUECRA-RDRPBHBLSA-N 484.556 5.109 50 50 JKGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cccc(Cl)c2)cc1 2553199 CJSVHIKRAZHRMJ-DHRITJCHSA-N 487.737 5.094 50 50 JKGA C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 4260714 ARJHUSMAKINJME-BRVWEASZSA-N 488.543 6.130 50 50 JKGA N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1ccc(Br)cc1 6997826 DVQMEFMISQHUND-XFXZXTDPSA-N 472.682 5.816 50 50 JKGA N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)NCc1ccco1 16791006 NZWZVAATCGUKLN-QGOAFFKASA-N 473.330 5.118 50 50 JKGA N#C/C(=C\c1ccc(COc2ccc(Br)cc2)o1)C(=O)Nc1cccc2ccccc12 20534000 RDLIPNZMUNVTNW-NBVRZTHBSA-N 473.326 6.320 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)cc2)cc1 2553006 OPTDMVATFKQKDO-VUTHCHCSSA-N 452.510 5.151 50 50 JKGA N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Br)cc1 2573645 NDKSLAKAAIAEBE-FQEVSTJZSA-N 488.307 5.773 50 50 JKGA Cc1ccsc1[C@@H]1C(C#N)=C(N)N(c2nnc(SC(C)C)s2)C2=C1C(=O)CC(C)(C)C2 12463218 QCFQVGNIWZFJCX-MRXNPFEDSA-N 471.677 5.349 50 50 JKGA N#C/C(=C\Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 22023100 DGQUIZCKFIKHIN-DTQAZKPQSA-N 466.478 5.954 50 50 JKGA CCc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3cccc([N+](=O)[O-])c3)C(C(C)=O)=C(C)N2)cc1 1199153 QJKPUYMLDPZTFC-XMMPIXPASA-N 461.543 5.058 50 50 JKGA C=CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 2080826 VTXGYOWFWBLDRN-XMMPIXPASA-N 459.977 5.846 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1cc2ccccc2cc1O 2521106 MCLDVAUYZQZUGA-CCVNUDIWSA-N 479.319 5.835 50 50 JKGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cc3ccccc3cc2O)cc1 2530334 WFQWBXNZHAWYNG-FDAWAROLSA-N 490.515 5.690 50 50 JKGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4210875 CQXDJYPIVXVGEV-LQCVWJHPSA-N 498.966 6.144 50 50 JKGA O=C(CCCCCCCCC(=O)N/N=C/c1ccccc1Cl)N/N=C/c1ccccc1Cl 25691144 ODWRGNKFFJGJQR-XUIWWLCJSA-N 475.420 5.715 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@@H]1c1ccc(Br)cc1 1199346 UNLLVALLWGFQGA-QHCPKHFHSA-N 481.415 5.659 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)cc3)nnc2-c2ccc(Cl)cc2)cc1 2358536 ABGFBEQJBSDXIT-MZJWZYIUSA-N 496.423 5.792 50 50 JKGA C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4209279 KSUOBQKLLZDWNX-OJPXDDBDSA-N 472.928 5.630 50 50 JKGA COc1cc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)ccc1OCc1ccccc1 13615852 IUFDPLOGNAMDJJ-XKZIYDEJSA-N 492.556 6.568 50 50 JKGA O=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 95681708 RJYUFWDUKZUCSP-UHFFFAOYSA-N 464.527 5.464 50 50 JKGA Oc1[nH]c(-c2ccccc2)nc(=S)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95681907 PNDYNLARFWISQY-UHFFFAOYSA-O 465.538 5.131 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2F)cc1 822876879 OPLVMJPNQMMRKX-VWLOTQADSA-N 476.479 5.581 50 50 JKGA O=C(NNC(=O)c1ccc(COc2ccccc2Br)cc1)Nc1cccc(Cl)c1 669016 BDOKABKRBQHXAX-UHFFFAOYSA-N 474.742 5.148 50 50 JKGA O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4229871 JBEDQTZACGBDMD-UXHLAJHPSA-N 484.939 5.755 50 50 JKGA C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 4303202 OLRCCUGOKGMGPK-JOBSNELWSA-N 487.781 5.599 50 50 JKGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccccc1C 20418644 TWJUCDGLLLXANF-XMMPIXPASA-N 464.525 5.191 50 50 JKGA CCCCCCCCCOc1ccc(/C(C)=N\NC(=O)c2cc(Br)ccc2O)cc1 100167784 AQOGYONAPXSKSC-ITYLOYPMSA-N 475.427 6.438 50 50 JKGA Cc1ccc([N+](=O)[O-])cc1N1C2=C(C(=O)CCC2)[C@@H](c2cccc(F)c2)C(C#N)=C1n1cccc1 1432900 FPQSSQVWZQPCHN-VWLOTQADSA-N 468.488 5.847 50 50 JKGA C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 4260719 ARJHUSMAKINJME-MAZFOTSLSA-N 488.543 6.130 50 50 JKGA O=C(Cc1cccc2ccccc12)N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl 4229900 VDLPPEXQSLQWLC-OCSSWDANSA-N 498.991 6.620 50 50 JKGA Cc1ccc(Cl)cc1N1C(N)=C(C#N)[C@@H](c2ccc([N+](=O)[O-])s2)C2=C1CC(C)(C)CC2=O 12462354 JZTHHHMCEVAGPF-FQEVSTJZSA-N 468.966 5.559 50 50 JKGA O=C1O[C@H](c2ccccc2)N/C1=C(/c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 102311439 LWPKIIGAPMRTHY-UGUAOWHQSA-N 451.462 5.215 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]4[C@@]34CC[C@]2(C1)OO4 257348926 KANYZLRHIUEPFK-SAELYBOHSA-N 472.710 7.268 50 50 JKGA O=C(Oc1ccc2ccccc2c1/C=N/NC(=O)c1cccc2ccccc12)c1ccccc1Cl 2552619 MOPJGJCVEBNPGC-FDAWAROLSA-N 478.935 6.630 50 50 JKGA O=C(N/N=C/c1c2ccccc2cc2ccccc12)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 4259326 RWZJYLHWFYMBKF-ZCTHSVRISA-N 492.579 5.144 50 50 JKGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2cccc(Cl)c2)ccc1OC(=O)c1ccccc1Cl 4302568 RJJPYUQLVRFXEA-PJAVDKHJSA-N 487.339 5.139 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccccc1 9246760 DGGFKLQQAWULBN-YZSQISJMSA-N 461.978 5.220 50 50 JKGA Cc1ccc([N+](=O)[O-])cc1N1C2=C(C(=O)CC(C)(C)C2)[C@@H](c2ccsc2)C(C#N)=C1n1cccc1 12462363 HGBVZLMYZSCYSR-DEOSSOPVSA-N 484.581 6.406 50 50 JKGA CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)cc1 27021281 VVHVHTDLYBVEQO-SILNSSARSA-N 475.577 6.364 50 50 JKGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)cc4)c32)ccc1OCc1ccccc1 623039 NIUYDFBSTGTHSU-HSZRJFAPSA-N 484.943 5.536 50 50 JKGA COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cc1OC 705483 IPHRCEPGBRGPPH-QHCPKHFHSA-N 463.965 5.298 50 50 JKGA COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(Cl)cc1Cl 2584997 UEGDWBKJMJNSMZ-WKULSOCRSA-N 493.346 6.138 50 50 JKGA C=CCOc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)cc1 4282495 LECRXMFVDJSXDU-TWKHWXDSSA-N 480.568 5.657 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccc(Cl)c2)cc1 4283140 OOHQPIZCTFDNQK-STBIYBPSSA-N 472.928 5.875 50 50 JKGA CC(C)c1cc(C(C)C)c(-c2ccccc2P(c2ccccc2)c2ccccc2)c(C(C)C)c1 100140782 HCULUUWFPUUYEE-UHFFFAOYSA-N 464.633 8.482 50 50 JKGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(Br)c1 102290132 JJXNWSOAECIJON-NLRVBDNBSA-N 466.464 5.717 50 50 JKGA C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 195789194 LQMPINNWAPYALU-AOMKIAJQSA-N 455.627 5.389 50 50 JKGA N#CC1=C(n2cccc2)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 1432033 FSXDBZUFYYZINV-RUZDIDTESA-N 480.480 5.128 50 50 JKGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2513467 DHTSAVFCRXJREW-RPPGKUMJSA-N 463.748 5.755 50 50 JKGA COc1ccc(/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 8453664 ZCNHFWJUVAMWPN-OVCLIPMQSA-N 465.328 5.752 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])s1 12402309 DDDWYNVCTBVKAX-LJQANCHMSA-N 454.939 5.251 50 50 JKGA COc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1OC(=O)c1cccc2ccccc12 12555280 IOKXBDGWRULHKR-HMMYKYKNSA-N 462.530 6.741 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@@H]4[C@@]34CC[C@]2(C1)OO4 257349362 NQOHVZFOGSDCDQ-QLLKKXCQSA-N 474.726 7.492 50 50 JKGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4229686 PAOITPXLDLRGDO-IXORVSQSSA-N 457.313 5.130 50 50 JKGA CCCCCCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CCC)c1=O 8398469 JTFFZOSKOWQGKW-UHFFFAOYSA-N 499.696 6.359 50 50 JKGA N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 8425425 YVONVNKHLZZKCV-USHMODERSA-N 470.597 8.120 50 50 JKGA CC/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Cl)cc12)c1ccc(Cl)cc1 20551536 KTUSSIJMXJGEAY-JBASAIQMSA-N 482.798 7.406 50 50 JKGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 4210101 FUBZOESXLLVHNV-ZCTHSVRISA-N 473.580 6.019 50 50 JKGA O=P(c1ccccc1)(c1ccccc1)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 101019923 STMPCMQVYFABLS-UHFFFAOYSA-N 450.516 6.593 50 50 JKGA O=C1c2ccccc2[C@@H](c2c(-c3ccc(Cl)cc3Cl)[nH]c3ccccc23)N1CCCl 334163397 QXBFMZLVNXXJTM-QHCPKHFHSA-N 455.772 6.926 50 50 JKGA CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1OC 1775977590 ZSGQEZJGBWOUHB-AREMUKBSSA-N 470.525 5.230 50 50 JKGA Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C1C(=O)CC(C)(C)C2 1422436 ZHNSDDGFMODTFX-AREMUKBSSA-N 492.501 5.061 50 50 JKGA C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2506481 HOHHXQZKVISJCT-SVMUSQEWSA-N 472.928 5.630 50 50 JKGA O=C(Cc1cccc2ccccc12)N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1 4209420 REPQHSUXJQFSTR-OCSSWDANSA-N 498.991 6.620 50 50 JKGA COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1cccc(C(F)(F)F)c1 20228662 HFHQESHVZHRPRY-CIAFOILYSA-N 466.459 5.516 50 50 JKGA CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1F 22239165 VJDNESFGDCWKFD-XDHOZWIPSA-N 484.449 6.368 50 50 JKGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C1CC(C)(C)CC2=O 25782003 CGUWKVPQKPWMML-JOCHJYFZSA-N 462.937 5.498 50 50 JKGA CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C1C(=O)CC(C)(C)C2 27550559 QIIIJOPLGOTBET-FQEVSTJZSA-N 480.615 5.628 50 50 JKGA N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1ccc(F)c(F)c1 1775976949 RUSDPGMJARSGLM-OAQYLSRUSA-N 483.268 5.165 50 50 JKGA COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1OCc1ccccc1 2334897 ZRXHMIVNKLQVOM-AFUMVMLFSA-N 463.584 5.126 50 50 JKGA COc1ccccc1N/C=C(\C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2906380 QTFGIQBVBGQTTA-SDNWHVSQSA-N 480.343 5.664 50 50 JKGA C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 4287582 LRXIQSRMPXSEIV-OJPXDDBDSA-N 472.928 5.630 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 5353026 NEZKTXIYCDMAKA-LQKURTRISA-N 483.424 6.024 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@H]2c1c(F)cccc1Cl 9076543 MTUBAGMSLKUDGT-FQEVSTJZSA-N 466.900 5.328 50 50 JKGA N#C/C(=C\c1ccc(I)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 16511738 HLSAOOWUVLOINK-NTUHNPAUSA-N 483.161 6.786 50 50 JKGA CCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OC)cc2)c(OCC)c1 102284114 IRYBYEJPAKUGIX-ZXVVBBHZSA-N 454.567 5.514 50 50 JKGA CC(/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)=C\c1ccccc1 2326470 HCCZXBQSHNUJBZ-WUSAKTFYSA-N 467.598 5.540 50 50 JKGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc(C)c(C)c2)cc1 2530344 XWATUDRZACYRFJ-OCSSWDANSA-N 482.536 5.214 50 50 JKGA CCOc1ccc(C(=O)N/N=C/c2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 2531587 LOTKDYLGJSRHBD-RDRPBHBLSA-N 452.510 5.530 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OC(=O)c1cccc(Br)c1 4335685 YPQIOTZKLIHESS-DHRITJCHSA-N 487.737 5.094 50 50 JKGA N#CC1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])s1 12428465 VSZXKGQKZRQXQM-GOSISDBHSA-N 494.882 5.633 50 50 JKGA Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)s1 13205455 HXLUUOFOKUFXLE-WYMPLXKRSA-N 455.008 5.350 50 50 JKGA CCCOc1ccc(/C(C)=N\NC(=O)c2cc(-c3ccc(CC)cc3)nc3c(Cl)cccc23)cc1 20572494 XHAPVGUMXUQARF-MZFJOGFUSA-N 486.015 7.060 50 50 JKGA COc1cc([C@@H]2C(C#N)=C(N)N(c3cccc(Cl)c3C)C3=C2C(=O)CC(C)(C)C3)ccc1O 1108632 RPCBEMWRYZJDLN-HSZRJFAPSA-N 463.965 5.304 50 50 JKGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2cccc3ccccc23)ccc1OC(=O)/C=C/c1ccccc1 2521181 ATZZUJCTSZTAAT-RGMIDMEKSA-N 494.547 5.385 50 50 JKGA CCc1ccc([C@H]2C(C#N)=C(N)N(c3cccc(Br)c3)C3=C2C(=O)CCC3)s1 6284253 MGEQWAVUZLEUGN-HXUWFJFHSA-N 454.393 5.378 50 50 JKGA COc1cc(C(=O)N/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc(OC)c1OC 25504457 RDGRAQNQQXBTHP-OKCVXOCRSA-N 488.515 5.348 50 50 JKGA CC1(C)CC[P@+](CP(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc21 100696710 GYBUPPLBXNUYLU-YTTGMZPUSA-N 453.526 6.427 50 50 JKGA CC(C)c1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 628290 OCFSEPBSLYJRJI-SANMLTNESA-N 478.596 6.114 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1ccc(Cl)cc1 2566388 VKLNUNAJXNCPNH-ZMOGYAJESA-N 457.711 5.086 50 50 JKGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2Cl)cc1 4296267 NUNCPIZRYZVICA-DHRITJCHSA-N 487.737 5.094 50 50 JKGA COc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccc(C)cc1 8407573 XFSBQPAWIXXTSP-HYARGMPZSA-N 461.525 5.286 50 50 JKGA O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cc(-c2ccccc2)nc2ccccc12 2225292 PLQRYKBYYZRJNR-AJBULDERSA-N 457.533 6.245 50 50 JKGA O=C(CSCc1cccc(Br)c1)N/N=C/c1cccc(Oc2ccccc2)c1 2929312 JWNRWWPSDSNFCO-ZVHZXABRSA-N 455.377 5.625 50 50 JKGA O=C(COc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 4366518 FABSWPOGGBFYAX-LQKURTRISA-N 458.901 5.242 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 25782160 JXQLOIZNZVLBBT-RPPGKUMJSA-N 461.276 5.124 50 50 JKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cccc(OCc2ccccc2)c1 102281235 YISZBISVRNWVIJ-MUGXBBEHSA-N 492.748 8.977 50 50 JKGA C#CCOc1ccc(Br)cc1/C=N/NC(=O)CCCCCCCCCCCCCCC 102316333 RVZHROMMLVWUNE-XAYXJRQQSA-N 491.514 7.393 50 50 JKGA COc1ccc(/C=N/NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1COc1cccc(C)c1C 2110565 COQGIBSEBWWYOT-MUFRIFMGSA-N 480.992 5.852 50 50 JKGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 2531207 BHAXPEUTEOSUOK-JVWAILMASA-N 450.922 5.256 50 50 JKGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl)c1ccc(Cl)cc1 2584961 XMULQMUHGSRCLR-BRJLIKDPSA-N 492.156 5.739 50 50 JKGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccccc2Br)cc1 2869824 ZXGXDVLMRXNCJX-CVKSISIWSA-N 475.346 5.074 50 50 JKGA N#C/C(=C\Nc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2906536 ZDZCULUJSKCDEK-FMIVXFBMSA-N 450.829 6.367 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC(=O)[C@]4(C)[C@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@@H]4[C@@]34CC[C@]2(C1)OO4 257348431 FNOFNCIBAJVYBM-IRMZPURCSA-N 486.693 6.592 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2C)N1 4645644 RJTGZCXDBPSENF-AREMUKBSSA-N 498.608 5.603 50 50 JKGA aggregator CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC(=O)OC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 257348402 FGIQVZRHSAAMRL-QOESFQMASA-N 456.711 7.424 50 50 JKGA Cc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c1 2244447 QNIBGYSJOHUQOT-RDRPBHBLSA-N 483.641 5.783 50 50 JKGA CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C1C(=O)CC(C)(C)C2 2520940 WSGUAFDMEDIYLU-HXUWFJFHSA-N 480.615 5.709 50 50 JKGA C/C1=C/CCC(=O)[C@H]2O[C@@H](C1)[C@H]1C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C=C[C@@H]21 169837769 RZSWDVGPZSSBHF-OTDBDYHOSA-N 486.728 5.591 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@@H]2c1ccc(Br)s1 1435780 HNXWDXAUFDYQIF-LJQANCHMSA-N 499.390 5.360 50 50 JKGA CCCOc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc23)cc1 2530465 QCNRUVZETWOMEF-UXHLAJHPSA-N 486.955 6.265 50 50 JKGA c1ccc(P(CCP(c2ccccc2)c2cccc3ccccc23)c2cccc3ccccc23)cc1 101148817 AJLHFWYWUUCAAX-UHFFFAOYSA-N 498.546 7.559 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1cccc(C)c1 2921782 WLRSIOIHTXHMFD-QHCPKHFHSA-N 471.409 6.203 50 50 JKGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cccc3ccccc23)cc1 4229977 JTSZJYHVDAMFJJ-LQKURTRISA-N 487.353 5.894 50 50 JKGA COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1 16195683 FNGVASGRMHKYSH-GRSHGNNSSA-N 465.303 6.009 50 50 JKGA Cc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)c1 20408185 PXFCXWSVPIYAOA-PXLXIMEGSA-N 452.945 6.106 50 50 JKGA COc1ccccc1/C=C/C=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 2321350 GYAGVHVOBVRJHP-KUZNRIHWSA-N 491.063 5.400 50 50 JKGA N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1Cl 8450627 MMDNZVYTAFEAFT-IBGZPJMESA-N 455.301 5.206 50 50 JKGA N#CC1=C(n2cccc2)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@H]1c1cccs1 12375407 ATCAGQRYIVEIBI-JOCHJYFZSA-N 465.500 6.572 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(n1cccc1)=C(C#N)[C@H]2c1ccc2c(c1)OCO2 12402345 SVTGQKBXXQSDON-AREMUKBSSA-N 463.537 5.856 50 50 JKGA Cc1sccc1[C@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2Cl)C2=C1C(=O)CC(C)(C)C2 16115338 NDVAAUVMCGLEIT-FQEVSTJZSA-N 468.966 5.559 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](Br)C[C@]4(C)[C@@H]3CC[C@]12C 257347301 DHZKAQAKUFROMZ-GIPLHWQLSA-N 465.560 8.050 50 50 JKGA CCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc1 2531406 HEJDTHSUDANMOH-CVKSISIWSA-N 481.346 5.139 50 50 JKGA N#C/C(=C\C=C(/Cl)c1ccc(Br)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 2906454 QJBSPDWQQUHLJF-MORFVCAISA-N 471.763 6.488 50 50 JKGA N#CC1=C(N)N(c2ccc(Cl)c(Cl)c2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl 3669712 CXBYJPYEXNVREW-HXUWFJFHSA-N 479.194 6.605 50 50 JKGA C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1 4372616 QUDOLYLLGFAFEG-LPCYTTORSA-N 480.564 5.762 50 50 JKGA C/C(=N/NC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1)c1ccc(NC(=O)C2CCCC2)cc1 8456057 NYOGARNCEKSTIT-DXJNIWACSA-N 485.584 5.630 50 50 JKGA CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1C#N 12393038 SHIJHYGLTAIQNF-FBHDLOMBSA-N 459.889 6.162 50 50 JKGA O=C(OC(=O)C12C[C@@H]3CC(C[C@H](C3)C1)C2(Cl)Cl)C12C[C@@H]3CC(C[C@H](C3)C1)C2(Cl)Cl 239296754 DEZAZONUZUZECG-IINVSJPYSA-N 480.259 6.057 50 50 JKGA CCOc1ccccc1[C@@H]1C(C#N)=C(N)N(c2ccc(Br)cc2F)C2=C1C(=O)CCC2 2510467 DPEJJONFHHJVGS-JOCHJYFZSA-N 482.353 5.292 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2F)cc1 2543025 XVUCYXGEKHULPM-JFLMPSFJSA-N 499.336 5.360 50 50 JKGA COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1COc1cccc2cccnc12 2857811 HVGDWEGIHMJQLJ-XQNSMLJCSA-N 456.523 5.161 50 50 JKGA CCOc1ccc(-c2cc(C(=O)N/N=C(\CC)c3cc(O)ccc3O)c3ccccc3n2)cc1 13321421 SPEDFIYCZLWQGN-BYNJWEBRSA-N 455.514 5.256 50 50 JKGA CSc1oc(-c2ccccc2Cl)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97976851 KZLBHOGZBKMFOL-UHFFFAOYSA-N 486.984 6.336 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1c(F)cccc1F)C(N)=C(C#N)[C@H]2c1ccc(C(C)(C)C)s1 2192348 YDFCIHFQOGOXOZ-NRFANRHFSA-N 467.585 6.265 50 50 JKGA O=C(N/N=C/C(Br)=C/c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 2702242 HUHHXMFAMNQNMQ-HCLFYSKESA-N 456.343 6.053 50 50 JKGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4Cl)cc3)[nH]n2)cc1OC 8969034 NYXRQNOHPSZCLP-RWPZCVJISA-N 490.947 5.090 50 50 JKGA Cc1ccc(N2C3=C(C(=O)CCC3)[C@@H](c3ccc(C)s3)C(C#N)=C2n2cccc2)c([N+](=O)[O-])c1 12447347 OICLTBOSDPDUKW-XMMPIXPASA-N 470.554 6.078 50 50 JKGA COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1cccc(F)c1 16195665 MSNFZUXHLFAPPF-OCKHKDLRSA-N 482.305 5.938 50 50 JKGA CCCc1n[nH]c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OCC)c1)C(C#N)=C(N)O2 32576823 GDTDFWMBXVWINC-JOCHJYFZSA-N 464.953 5.211 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)c(F)c2)cc1 1775975040 BTPAFEWZJAUNFE-DEOSSOPVSA-N 462.452 5.191 50 50 JKGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(F)c(Cl)c1 648702 YYJJMAOLMOUVAM-QHCPKHFHSA-N 482.939 5.518 50 50 JKGA O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(OCc2ccccc2)cc1 2578282 OFTXKWQTHQEGBW-UXHLAJHPSA-N 470.956 6.262 50 50 JKGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc3c(cc2Cl)OCO3)c([N+](=O)[O-])c1 3186611 AWBNSAQCJXCZDL-KBKYJPHKSA-N 489.956 5.220 50 50 JKGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1cccc(Oc2ccccc2)c1 4210632 UCALCFJMYYHNCU-MZJWZYIUSA-N 463.946 5.227 50 50 JKGA Cc1cccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4[nH]nc(-c5ccc(Cl)cc5)c43)cc2)c1 8437695 YTJGVFMOOHCRMX-QHCPKHFHSA-N 468.944 5.836 50 50 JKGA CC/C(=N\NC(=O)c1sc2cccc(Cl)c2c1Cl)c1ccc(Br)s1 8456166 CPGAWEPCPYRABA-AWQFTUOYSA-N 462.221 6.576 50 50 JKGA N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc(-c2cc3ccccc3oc2=O)cs1 16361924 GNIJFHHMLZHEPO-LFIBNONCSA-N 467.462 6.149 50 50 JKGA Cc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)N/N=C/[C@H](C)Cc3ccc4c(c3)OCO4)c2c1 20407663 VECLZIYIZCKCRY-DPNMHVQBSA-N 493.607 6.657 50 50 JKGA O=C(N/N=C/c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1ccc(Cl)cc1O 20533893 LVQZSGSXXLTPAH-XKJRVUDJSA-N 471.866 5.831 50 50 JKGA CC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2[C@@H]3C[C@H]4[C@H](O[Si](C)(C)C(C)(C)C)OCC[C@H]4[C@@H]3C=C[C@@H]2C1 169834862 CQOKEPQSENXION-OONPPCKJSA-N 478.866 7.610 50 50 JKGA C[C@H]1C[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@@H]2C[C@@H]1C(=O)[C@H]1[C@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C 257357178 MNCVCNBVIQWHLW-FOSIYRNASA-N 496.786 5.001 50 50 JKGA CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Cl)CC)CC[C@]4(C)[C@@H]3CC[C@]12C 1772491584 JKEJJFJGGOFWEL-MHRRWGKLSA-N 491.200 9.245 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(C)cc2)N1 1230339 HSWOTKBDNHDMEE-VWLOTQADSA-N 469.566 5.539 50 50 JKGA O=C(N/N=C/c1ccccc1Oc1ccccc1)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5351861 LTZNPXLHYIMPBR-UXHLAJHPSA-N 458.521 5.885 50 50 JKGA COc1ccc2nc(Cl)c(/C=C(\C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)cc2c1 16511976 NHEQJJVYTDZJDR-RQZCQDPDSA-N 471.925 6.191 50 50 JKGA COc1cc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O 19770402 VUUSIJZLBUZBKI-IVZQSRNASA-N 465.347 5.048 50 50 JKGA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(=O)c1ccc(-n2cccc2)cc1 2856120 RNAKWUKUCRDALE-UHFFFAOYSA-N 490.610 5.014 50 50 JKGA COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 5319222 GWGVJSQNTXMJST-SUOQOJQUSA-N 452.514 5.093 50 50 JKGA CCCc1n[nH]c2c1[C@@H](c1ccc(OC)c(CSc3nc4ccccc4o3)c1)C(C#N)=C(N)O2 8568271 KULFMVDOGMBUHP-NRFANRHFSA-N 473.558 5.022 50 50 JKGA CSc1ccc([C@H]2C(C#N)=C(N)N(c3cccc(Cl)c3C)C3=C2C(=O)CC(C)(C)C3)cc1 9761314 BYYIQPMXRIQKON-QHCPKHFHSA-N 464.034 6.311 50 50 JKGA O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cccc2ccccc12 16185200 HZRCOBZWYXBPLP-ZMFRSBBQSA-N 452.297 5.495 50 50 JKGA C[Si](C)(C)c1ccc(P(c2ccc([Si](C)(C)C)s2)c2ccc([Si](C)(C)C)s2)s1 169809550 KYTZHXHQAJXQCB-UHFFFAOYSA-N 496.928 5.265 50 50 JKGA COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@]12C 253500758 XDHSPKUJYNEBHS-LAGMUJFMSA-N 481.471 5.308 50 50 JKGA Brc1ccc([C@@H](Br)[C@@H](Br)c2ccccc2Br)cc1 2167744 BBJOOAHOFKXTJW-KGLIPLIRSA-N 497.850 6.784 50 50 JKGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12 2531249 GCCJOGLCRISRQP-MUFRIFMGSA-N 485.927 5.110 50 50 JKGA CCOc1cc(/C=N/NC(=O)COc2cc(C(C)C)ccc2C)ccc1OCc1ccc(Cl)cc1 2553557 QCEHWVRIYFITKG-OKCVXOCRSA-N 495.019 6.279 50 50 JKGA CCOc1cc(C(=O)N/N=C(\C)c2ccc(NC(=O)C3CCCC3)cc2)cc(OCC)c1OCC 8455917 VOPOSUJPMGHLHY-RDRPBHBLSA-N 481.593 5.165 50 50 JKGA Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 13174316 VFWFSFFIFOURGW-HSZRJFAPSA-N 497.542 5.815 50 50 JKGA CC(C)c1ccc([C@H]2C(C#N)=C(SCC(=O)NC3CCCCC3)NC3=C2C(=O)CCC3)cc1 20347666 SCBYKMKIAIZHTQ-VWLOTQADSA-N 463.647 5.421 50 50 JKGA C/C(=N/NC(=O)c1cc(-c2cccc(Cl)c2)nc2ccccc12)c1ccc(NS(C)(=O)=O)cc1 20572776 KCUUWLHVHMDKAV-NTFVMDSBSA-N 492.988 5.081 50 50 JKGA CC(C)(C)[Si](C)(C)OC1[C@H]2OC3OC([C@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1O3 216544254 SETNUJLCPAWDRD-RSSRHIHPSA-N 484.665 5.028 50 50 JKGA O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccccc1 334161269 XTEHEDPFCRMBIW-OKCVXOCRSA-N 477.442 5.982 50 50 JKGA COc1ccc(/C=N/NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1COc1cc(C)cc(C)c1 2110898 HOPAQJIUKVBILW-MUFRIFMGSA-N 480.992 5.852 50 50 JKGA Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(C)c3)NC3=C2C(=O)CCC3)cc1 2329039 VQNLSPVQZLZGFZ-RUZDIDTESA-N 457.599 5.413 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)c1ccc(OCc2ccc(Cl)cc2)cc1 2584849 BHPWKPAIDQGLPM-LQKURTRISA-N 490.968 5.964 50 50 JKGA Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)N/N=C/C(Br)=C/c2ccccc2)[nH]n1 5353526 SXYOWFZVBWAIFW-RMTCRTQYSA-N 489.377 5.031 50 50 JKGA O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/c1ccccc1F 9019930 GCEMIYZXPHZNKT-LGJNPRDNSA-N 452.942 5.120 50 50 JKGA N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@@H]1c1cccc2ccccc12 9108573 OYQJZHOARVBJDV-HXUWFJFHSA-N 492.398 5.313 50 50 JKGA CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1 12393061 PAVXLIAHYTXOCM-UNOMPAQXSA-N 470.485 5.522 50 50 JKGA C/C(=N/NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc(NC(=O)C(C)(C)C)cc1 20572628 DIFJTYJPQKLRGL-OHUYPAJKSA-N 499.014 6.694 50 50 JKGA CC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 666938 GCCLCKMGWIQRPL-IADCTJSHSA-N 480.995 6.804 50 50 JKGA CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2530127 QLJUCVDOBLSSCY-JFLMPSFJSA-N 471.340 5.765 50 50 JKGA O=C(Oc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1)c1cccc(Cl)c1 4229765 HZCFINOREGPWKM-LGJNPRDNSA-N 469.349 6.191 50 50 JKGA O=C(COc1ccccc1Cl)N/N=C/c1ccccc1OCc1ccc(Br)cc1 2584773 KUISILNXJQBLBK-DHRITJCHSA-N 473.754 5.211 50 50 JKGA O=C(COc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4210438 KYYQIVICPUVYPN-LQKURTRISA-N 458.901 5.242 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1ccncc1 9380737 YHSHCEISHIQWQK-VUTHCHCSSA-N 484.629 5.259 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1[N+](=O)[O-])C(N)=C(C#N)[C@@H]2c1ccccc1[N+](=O)[O-] 13882203 HLDMLXIATZSSPR-NRFANRHFSA-N 493.907 5.097 50 50 JKGA CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C1C(=O)CC(C)(C)C2 27550708 BGKXJWNPWZWYCK-FQEVSTJZSA-N 480.615 5.709 50 50 JKGA N#CC1=C(n2cccc2)N(c2ccc(F)cc2F)C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 1432023 FKAFYAXYBPUEIM-RUZDIDTESA-N 471.463 5.498 50 50 JKGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC(C)C)cc3)nc3ccccc23)cc1OC 2090341 UEWDLJAPUBXLTQ-STBIYBPSSA-N 469.541 5.470 50 50 JKGA O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(OCc2ccccc2)cc1 2513447 GJAKFWGCQATUDE-UXHLAJHPSA-N 470.956 6.262 50 50 JKGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)cc1 4229761 VDGOURFKWGKCFX-FMXSCBNESA-N 476.532 5.648 50 50 JKGA COc1ccc(/C(C)=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])cc1OC 12343146 RRVHWFSVFSSTQR-WPWMEQJKSA-N 485.581 5.245 50 50 JKGA CCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 13233084 YIRBRRXAMFJTLU-WPWMEQJKSA-N 458.587 5.116 50 50 JKGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccc(C)cc1 20367376 LRQVFVOXWXQVIX-DEOSSOPVSA-N 464.525 5.191 50 50 JKGA COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 20418641 LKLMIJYGCWKZGZ-DEOSSOPVSA-N 464.525 5.191 50 50 JKGA COc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1COc1cccc(C(F)(F)F)c1 20551273 CRLJZWIJYHNCIP-KOMLCTQHSA-N 480.486 6.077 50 50 JKGA C=CCn1c(-c2ccc(-c3ccccc3)cc2)cs/c1=N/NC(=O)c1ccc(Br)cc1 100052951 WQUOSOOQQVHHSX-AZPGRJICSA-N 490.426 6.078 50 50 JKGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 2578273 QNJHENZAFMFCRY-RPPGKUMJSA-N 477.731 5.395 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1cccc2ccccc12 4283410 AOLINBCJWXXBSK-ZCTHSVRISA-N 487.515 5.301 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1ccc(O)cc1 9246865 CHFJQHSOYQSXEK-VUTHCHCSSA-N 499.640 5.570 50 50 JKGA CCOc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CC(C)(C)C3)cc1 12411739 RQFAFFOOCQLIIL-QHCPKHFHSA-N 481.518 6.045 50 50 JKGA CCCOc1c(I)cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1OC 13943563 LFFTXASFZKNNCV-ZROIWOOFSA-N 459.287 5.029 50 50 JKGA CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](C)Cl)CC[C@]4(C)[C@@H]3CC[C@]12C 253498848 AAEWZCYGFQHOQA-JAMXUOOASA-N 477.173 8.855 50 50 JKGA biogenic CC(C)c1ccc([C@@H]2C(C#N)=C(SCC(=O)NC3CCCCC3)NC3=C2C(=O)CCC3)cc1 2848441 SCBYKMKIAIZHTQ-RUZDIDTESA-N 463.647 5.421 50 50 JKGA CCc1ccc([C@@H]2C(C#N)=C(SCC(=O)c3ccc(Cl)c(Cl)c3)NC(C)=C2C(C)=O)cc1 2921703 QGPNMYKLDKIRAH-XMMPIXPASA-N 485.436 6.457 50 50 JKGA CC(C)OC(=O)c1cc(Br)ccc1-c1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)o1 12382707 CYZUEPXYFDPZAF-PTNGSMBKSA-N 476.330 6.215 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1 102271211 BOOAOKLUFOARCI-OGLMXYFKSA-N 493.431 6.812 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc1OC(=O)c1ccccc1 4210154 ZRIHETUCTOBUMS-RDRPBHBLSA-N 467.525 5.086 50 50 JKGA COc1ccc2[nH]c(/C(C#N)=C\c3cc(Br)ccc3OCc3ccccc3)nc2c1 9934924 MJERHOVRXCXGGI-WQRHYEAKSA-N 460.331 5.977 50 50 JKGA O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccccc3)Nc3ccc4ccccc4c3[C@@H]2[C@H]1Cl 239347245 MNJHTWREHWCETR-ZFEJATOBSA-N 487.024 7.787 50 50 JKGA Cc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(Br)cc3)C3=C2CC(C)(C)CC3=O)cc1 705456 RYXYYEAGXZBDGN-QFIPXVFZSA-N 462.391 5.698 50 50 JKGA CCCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C)cc1 2532281 GDKCGCDOEUUPIV-JVWAILMASA-N 495.373 5.529 50 50 JKGA CCCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 4282220 SSCMYDNHNWFUNE-RDRPBHBLSA-N 474.557 5.095 50 50 JKGA C=C[C@@](C)(CO[Si](C)(C)C(C)(C)C)C[C@@H]1OC(=O)[C@H]2[C@H](CCC(=O)OC)CC[C@@H](C)[C@@]12C 169830441 NCZSINJCENXUET-MYERSQJGSA-N 466.735 6.138 50 50 JKGA Cc1cc([C@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CC(C)(C)C3)c(C)s1 2501778 SCSMOFICDKFUGE-QFIPXVFZSA-N 462.575 5.522 50 50 JKGA COc1cccc(C(=O)N/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)c1 4209466 JBLBUWLHHCVDQY-VULFUBBASA-N 464.930 5.546 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc4ccccc34)cc2)cc1 4282538 XAXWTPFIWBTNRE-AJBULDERSA-N 496.563 5.767 50 50 JKGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 4287101 HXPMRHGLAYBBFA-HWDKICEFSA-N 491.758 5.784 50 50 JKGA CCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 4347186 WNUZWGLCDQRYAB-JFLMPSFJSA-N 452.938 5.019 50 50 JKGA O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)N/N=C/c1ccccc1 9309873 JEPMYOAPAQIEDI-BIZUNTBRSA-N 491.978 6.751 50 50 JKGA CCC/C(=N\NC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc12)c1ccc(Cl)s1 20562362 JLCHUEYCCMWZGQ-XHLNEMQHSA-N 494.016 6.568 50 50 JKGA O=C(CCn1c2ccccc2c2ccccc21)N/N=C(\c1ccccc1)c1ccc2c3c(cccc13)CC2 25560774 CHQAMNAJJJVQNP-JMUUFCRMSA-N 493.610 7.005 50 50 JKGA Clc1ccc(/C=N/c2ccc(SSc3ccc(/N=C/c4ccc(Cl)cc4)cc3)cc2)cc1 100399331 JPSLIIDRSWXSFJ-YAGSLNJISA-N 493.484 9.294 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCl)CC[C@]4(C)[C@H]3CC[C@]12C 1857524462 XUXXPLDKUZSGKH-XZNFPBLRSA-N 463.146 8.178 50 50 JKGA Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1875363352 RJCCTOYBDPMNPF-UKTHLTGXSA-N 465.262 6.052 50 50 JKGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(COc2ccc(Br)cc2)o1 648545 PZWKVSSFZZEERL-HXUWFJFHSA-N 469.335 5.072 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc3ccccc3c2)=C(C#N)[C@H]1c1ccc(F)cc1 1199024 JNNINAHMDACIAG-AREMUKBSSA-N 456.542 5.880 50 50 JKGA O=P(Oc1ccc(F)cc1)(Oc1ccc(F)cc1)Oc1ccc([C@@H](Cl)C(F)(F)F)cc1 22205715 QMUDWDVXTZPRFB-LJQANCHMSA-N 478.737 7.452 50 50 JKGA COc1ccccc1OCC(=O)N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl 25584327 HNWQTZOHOLTYPU-MZJWZYIUSA-N 494.956 5.312 50 50 JKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cc2ccccc2[nH]c1=O 102316354 VPVTZAZMCGBSQT-BYNJWEBRSA-N 453.671 7.240 50 50 JKGA C[C@@]12C[C@H](Br)[C@H](Br)C[C@@]1(C)C[C@@H](Br)[C@H](Br)C2 254871644 CXHKDKVYYZDCRY-ZZLGJBLRSA-N 481.892 5.641 50 50 JKGA COc1cccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)c1 2530632 HMSZQGKGHKCJFF-DHRITJCHSA-N 487.737 5.094 50 50 JKGA CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C1C(=O)CC(C)(C)C2 4003278 MRWUWECMVVMPTA-HXUWFJFHSA-N 480.615 5.709 50 50 JKGA COc1cc(/C=N/NC(=O)c2cccc(C)c2)ccc1OC(=O)c1sc2ccccc2c1Cl 4209928 OICCXINUCFRTNH-MZJWZYIUSA-N 478.957 5.855 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1ccc(Cl)c(Cl)c1 5350510 SPPPAMLJODLNIB-STBIYBPSSA-N 497.451 6.332 50 50 JKGA N#CC1=C(SCc2ccccc2Cl)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1Cl 13174797 RVKFXIOELFLXNU-FQEVSTJZSA-N 475.828 7.009 50 50 JKGA CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(Cl)c2)cc1 20549851 TVHXCLGQCNWAIL-XDHOZWIPSA-N 480.973 6.091 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc4ccccc4c3)[nH]n2)cc1 102302492 IMGRXILCRZMGET-DFKUXCBWSA-N 482.628 7.123 50 50 JKGA CCOc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1 2543922 ISVFOESNGUIHTN-VULFUBBASA-N 457.313 5.375 50 50 JKGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 2759004 KUCOKFVSMSAZIU-QHCPKHFHSA-N 491.378 5.720 50 50 JKGA O=C(N/N=C\C1[C@@]2(c3ccccc3)[C@H]3C=C[C@@H](C3)[C@]12c1ccccc1)c1ccc2ccccc2n1 100294707 CRUOPDNYDLRRIC-BATPRTDDSA-N 455.561 5.662 50 50 JKGA Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3cccc4ccccc34)s2)cc1 1901773 QHWPLDQEKFUXHP-ZMOGYAJESA-N 464.641 5.534 50 50 JKGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)c1 2519889 YLIZGXNNOJAYHV-VTNSRFBWSA-N 484.571 6.519 50 50 JKGA CC(C)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3Cl)NC3=C2C(=O)CCC3)cc1 1115487 MWUHSJFZBPTTIF-RUZDIDTESA-N 492.044 6.264 50 50 JKGA O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(Oc1ccccc1)Oc1ccccc1 2531186 SFHCMXDJZOZGAU-NDZAJKAJSA-N 486.955 5.853 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1 2531265 JVLZOHBBXAMXHM-MUFRIFMGSA-N 485.927 5.110 50 50 JKGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(OC)cc2)cc1 4229930 NWRRDSGDQOOJRF-MTDXEUNCSA-N 454.530 5.101 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Cl)cc12)c1cccc(OC(C)C)c1 20549993 WHTWIWAZFGCWCP-KBVAKVRCSA-N 492.406 7.150 50 50 JKGA O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C\c1ccccc1OCc1ccccc1 32649963 WMZUUBQOVJFAKT-FSGOGVSDSA-N 466.537 5.374 50 50 JKGA CCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OCCC)cc2)c(OCC)c1 102275249 IJKHKJSLTKKQRU-XHLNEMQHSA-N 482.621 6.294 50 50 JKGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1 102289098 ATAGLNUFSHTKCA-NJZRLIGZSA-N 479.665 6.061 50 50 JKGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OCCCC)cc1 102290068 GQBJMQCGJFIJNN-QUPMIFSKSA-N 459.675 6.133 50 50 JKGA C[Si](C)(O[C@H](c1ccccc1)c1c(Cl)c(Cl)nc(Cl)c1Cl)c1ccccc1 169817587 KAZUCGMSICKNTR-GOSISDBHSA-N 457.260 6.914 50 50 JKGA COC(=O)[C@]12C(=O)C[C@@H](Sc3ccccc3)C(C)(C)[C@H]1CCC[C@H]2O[Si](C)(C)C(C)(C)C 169835224 CABFEEXBAPFLEM-XTOGBABISA-N 476.755 6.496 50 50 JKGA CSc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)cc1 705620 PTMAVHALESPMDX-NRFANRHFSA-N 466.404 5.476 50 50 JKGA COc1cccc(C(=O)N/N=C/c2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)c1 2532242 CJDIMGURWAMQKE-LQKURTRISA-N 458.901 5.485 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccccc1Cl 8916598 XTWKQFVUEBFLIU-TURZUDJPSA-N 490.032 5.837 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)c2ccc(F)cc2)N1 9310872 JVAHTTSWKPRGDA-DEOSSOPVSA-N 489.597 5.838 50 50 JKGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 12412743 PFXBRCYWEWRYQI-RUZDIDTESA-N 458.489 5.549 50 50 JKGA Cc1cc(Br)ccc1N1C(N)=C(C#N)[C@@H](c2ccc([N+](=O)[O-])s2)C2=C1CCCC2=O 12445876 STHRIBSVUHFFDY-IBGZPJMESA-N 485.363 5.032 50 50 JKGA CC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2[C@@H]3C[C@@H]4[C@H](O[Si](C)(C)C(C)(C)C)OCC[C@H]4[C@@H]3C=C[C@@H]2C1 169834868 CQOKEPQSENXION-BURCWCQISA-N 478.866 7.610 50 50 JKGA N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)S(=O)(=O)c1ccccc1 948038 ZYWFIWQVRAPUGG-HYARGMPZSA-N 454.345 5.366 50 50 JKGA O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(c1ccccc1)c1ccccc1 2090071 SULLVWIKYVBQOJ-JVWAILMASA-N 459.889 5.790 50 50 JKGA N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccc(C(=O)O)cc1 2883040 LHCGJIUUEBLOMF-BOPFTXTBSA-N 454.360 6.168 50 50 JKGA O=C(N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl)c1ccccc1O 4209402 PJJHKKPOHAWZGT-DHRITJCHSA-N 450.903 5.243 50 50 JKGA C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4210669 ANZDUDKTTQNRFR-OJPXDDBDSA-N 472.928 5.630 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)cc1 4329733 CZZPCQBVQRELBG-OJVLKWHLSA-N 472.541 5.257 50 50 JKGA Cc1ccsc1/C=C(\C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 15722383 PPXAXGMDZNCEAE-MDWZMJQESA-N 455.358 6.113 50 50 JKGA N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1ccc(F)cc1 16393912 YYKBAKDVUXEFJL-ODLFYWEKSA-N 452.279 5.930 50 50 JKGA C1=C(c2ccccc2)Oc2ccccc2[C@@H]1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100720654 KVRLYHMITCDMIF-MGBGTMOVSA-N 469.544 7.155 50 50 JKGA O=C(N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl)c1cc(O)cc(O)c1 13321695 MTGZVKIYOLXASJ-KIBLKLHPSA-N 465.720 5.401 50 50 JKGA CCOC(=O)CC(=O)c1ccc(CCCCCCCCCCCI)s1 16663522 GQMGTYGHDGPYEA-UHFFFAOYSA-N 478.436 6.372 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)/C=C/[C@@H](C)C(C)C)CC[C@@H]4[C@@]34C=C[C@]2(C1)OO4 257347443 IDGDXRNODLQSAB-LXOQQZCYSA-N 468.678 6.965 50 50 JKGA COc1ccc(/C=N/NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1COc1ccccc1C 2110681 WKWZDLDZRYFOFO-LQKURTRISA-N 466.965 5.544 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C(F)(F)F)nnc2-c2ccccc2)cc1 2366296 CIAHYLOIVJWHEG-WKULSOCRSA-N 495.530 5.504 50 50 JKGA COc1cccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc23)c1 2543041 XKJYHSSZHQXSEY-LQKURTRISA-N 458.901 5.485 50 50 JKGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4210214 PSPNMNDTDGIVHK-HAAZFJDZSA-N 456.542 5.266 50 50 JKGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2Cl)cc1 4360058 AWWTVXKIOCKGML-LQKURTRISA-N 458.901 5.485 50 50 JKGA CC(C)c1cc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(Br)c2)cs1 20550112 RPCKFRFFSCPLFM-OPEKNORGSA-N 491.838 6.630 50 50 JKGA C/C(=N/NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(NS(C)(=O)=O)cc1 20572660 GWVHTAVTRUTIRL-NTFVMDSBSA-N 492.988 5.081 50 50 JKGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccccc1Br 102291244 OXGUGGMZNRLMCP-NLRVBDNBSA-N 466.464 5.717 50 50 JKGA CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)c(F)c2)cc1 1775977444 UPGVZSZQOILMLP-XMMPIXPASA-N 462.452 5.189 50 50 JKGA N#CC1=C(n2cccc2)N(c2ccc(F)cc2F)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 1432024 FKAFYAXYBPUEIM-VWLOTQADSA-N 471.463 5.498 50 50 JKGA CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2cccc(Br)c2)C2=C1C(=O)CCC2 2520956 XXKHTJAWHBGGPC-LJQANCHMSA-N 486.460 5.927 50 50 JKGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 2584949 ZZZZLCBHIQJMIH-BRJLIKDPSA-N 492.156 5.739 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1cccc(Br)c1 3084055 OUHLLUXUXDNUCP-JVWAILMASA-N 473.326 5.585 50 50 JKGA O=C(COc1cccc(Cl)c1)N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1 4210063 JFFUQZAHQAVOEA-UVHMKAGCSA-N 499.375 5.956 50 50 JKGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 4230292 BMWRWEZTBHMCOU-LGJNPRDNSA-N 457.313 5.050 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)[nH]n1)c1ccc(Cl)c(Cl)c1 9088544 XFDYLSQILSSPGC-LQKURTRISA-N 479.367 6.117 50 50 JKGA Cc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccccc1 2520126 JFIXTBLYIHKVDM-WWFUUPRNSA-N 463.331 5.140 50 50 JKGA Cc1ccc2nc(Cl)c(/C=C(\C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2c1 8400187 QZZBVWBLFPBDRU-LZYBPNLTSA-N 456.785 7.691 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2cc(Cl)ccc2Cl)=C(C#N)[C@H]1c1sccc1C 1199112 WBLRJGFBFRAKTM-HXUWFJFHSA-N 477.438 6.264 50 50 JKGA CCOc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl 4210323 CDPODXXUAWRKPI-JFLMPSFJSA-N 478.957 5.937 50 50 JKGA CC(C)(C)c1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 2318492 MGEGCXCRIGVNSN-WYMPLXKRSA-N 491.107 6.024 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1)c1cccc(O)c1 25783008 AYSGMIATBYJLQE-JVWAILMASA-N 460.921 5.169 50 50 JKGA CC(C)(C)[Si](C)(C)OC[C@@H]1CCC(/C(C#N)=C2/CC[C@@H](CO[Si](C)(C)C(C)(C)C)N2)=N1 170158960 JYNLYWZVXIGLJC-GLHDQHDCSA-N 463.815 6.163 50 50 JKGA COCO[C@H]1[C@H](C)C[C@@]23CCCC[C@@H](C[C@H](C#N)[C@H]4O[C@@H](OC)O[C@]142)[C@H]3O[Si](C)(C)C(C)(C)C 257357718 PNVFTWSZFBATNB-AFLRJVGESA-N 495.733 5.210 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1 4210081 YHEIWUMRPORAGW-WPWMEQJKSA-N 450.922 5.502 50 50 JKGA C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 4360331 WVQKJTVUCXYUJI-NXYZXBHKSA-N 457.313 5.130 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1)c1ccc(Br)cc1 5353830 ATEHUAFUBWBLCU-LSHDLFTRSA-N 452.139 5.300 50 50 JKGA Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2cccc3ccccc23)c1 19800643 PTMVGQNTUNURJC-UXHLAJHPSA-N 460.537 5.530 50 50 JKGA O=C(O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21 245232084 PFNDLHUUVRPUCP-COWRSKPRSA-N 498.963 6.471 50 50 JKGA N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC(=O)C[C@@H]1c1ccc(OCc2ccccc2)cc1 9089109 OCPPIDQTFDKGKK-HSZRJFAPSA-N 487.556 5.115 50 50 JKGA Cc1ccc(N2C3=C(C(=O)CC(C)(C)C3)[C@@H](c3ccsc3)C(C#N)=C2n2cccc2)c([N+](=O)[O-])c1 12447370 QNSHWDPLSFAXHE-DEOSSOPVSA-N 484.581 6.406 50 50 JKGA COc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 16474792 OQQJPVGSMHPCMD-JMIUGGIZSA-N 490.313 5.881 50 50 JKGA COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc([N+](=O)[O-])cc3Br)n2)cc1OC 22023088 LIADTDQHQOOOKJ-JLHYYAGUSA-N 487.335 5.475 50 50 JKGA CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2ccc(F)cc2)C2=C1C(=O)CCC2 1171829 KJMPDLKQSLKQCA-NRFANRHFSA-N 453.608 5.866 50 50 JKGA CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(COc2cccc(C(F)(F)F)c2)o1 20190194 QZDGUGMGXKATSC-FOWTUZBSSA-N 456.420 5.822 50 50 JKGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 43190695 KWGIDSQGFMHMLH-RPPGKUMJSA-N 477.731 5.395 50 50 JKGA COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)cc1 100341256 KWTWUKRLBQESIJ-DTQAZKPQSA-N 495.611 5.053 50 50 JKGA CCCCc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1 4354211 ZMFXQMLMARORPZ-MUFRIFMGSA-N 499.394 6.084 50 50 JKGA Br[C@H]1C[C@@]23C=C[C@@]2(C[C@H]1Br)C[C@@H](Br)[C@H](Br)C3 254799205 ZWHWSQOPWQCLCG-UCFKJQRDSA-N 477.860 5.171 50 50 JKGA FS(F)(F)(F)(F)c1cccc(SSc2cccc(S(F)(F)(F)(F)F)c2)c1 258837418 RRZPXQIWDSFCHY-UHFFFAOYSA-N 470.444 9.801 50 50 JKGA COc1ccc(/C=N/NC(=O)c2cc(-c3cc(C)ccc3C)nc3ccccc23)c(OC)c1OC 673363 NERZFJLYSSRWGB-MUFRIFMGSA-N 469.541 5.308 50 50 JKGA O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 704922 BHJGAEDNHUNKMG-UHFFFAOYSA-N 460.704 5.204 50 50 JKGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3C(F)(F)F)n2-c2ccccc2)cc1 2073391 DRELIZPREIPCCI-WKULSOCRSA-N 495.530 5.504 50 50 JKGA CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 2553636 JOQDCIYLRHEKEJ-JFLMPSFJSA-N 452.938 5.155 50 50 JKGA N#C/C(=C\C=C(/Cl)c1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2906156 DTHCXABGGLIZDZ-UPOCAPAASA-N 496.644 8.066 50 50 JKGA COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC 2994930 ONJMXKRYGRRPAR-VXLYETTFSA-N 470.352 6.662 50 50 JKGA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4259924 OJBQPBVCQBYJIE-ZKJHFGPLSA-N 475.303 5.269 50 50 JKGA COc1cccc(/C(C)=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1 5352880 KJOSCCTYLQWOQV-OGLMXYFKSA-N 479.005 5.379 50 50 JKGA N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 6975010 RDAVSZJAADBRLX-BOPFTXTBSA-N 496.292 5.578 50 50 JKGA c1ccc(P(Cc2cccc(CP(c3ccccc3)c3ccccc3)c2)c2ccccc2)cc1 100032500 QLSOZHFOFHARBJ-UHFFFAOYSA-N 474.524 6.952 50 50 JKGA Clc1cc(Cl)c2c3c1[C@H](Cl)[C@@H](Cl)c1c(Cl)cc(Cl)c(c1-3)[C@@H](Cl)[C@H]2Cl 100480818 HLOGUCPTNQWBOD-YHUYYLMFSA-N 481.848 9.114 50 50 JKGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1Cl 644050 WGKYBYRSEBQIFJ-HSZRJFAPSA-N 464.949 5.378 50 50 JKGA O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4230339 MHHYWGWOBDOZQL-FDAWAROLSA-N 498.510 5.153 50 50 JKGA N#CC1=C(SCCSC2=C(C#N)C3(CCCC3)[C@H](C#N)C(O)=N2)N=C(O)[C@H](C#N)C12CCCC2 13739425 DPPKPUTXIYZCIS-IYBDPMFKSA-N 492.630 5.264 50 50 JKGA CCOc1cc(C=C(C#N)C#N)cc(I)c1OCc1ccccc1Cl 220982255 HGTJBGOXYCNFGO-UHFFFAOYSA-N 464.690 5.353 50 50 JKGA CC(C)(C)OC(=O)NN(Cc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc(Cl)cc1 263640146 ZDZFXBVLVKLMDC-UHFFFAOYSA-N 479.286 5.881 50 50 JKGA O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(COc2ccc3c(c2)CCC3)cc1 2755471 DSHLYFBKMLWYRZ-STBIYBPSSA-N 481.508 5.686 50 50 JKGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3Cl)cc2OC)cc1 4283148 ZNXDGOXRCDGSJE-JVWAILMASA-N 466.921 5.121 50 50 JKGA COc1cc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1OC(C)=O 19760764 BJJNTJLKTDPYNM-AVRWGWEMSA-N 462.933 5.159 50 50 JKGA C=CC[P+](CC[P+](CC=C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 100696727 LYHWXGMATJKCMV-UHFFFAOYSA-N 480.572 6.696 50 50 JKGA CCO[P@](=O)(C(=O)C(C)(C)C)[C@@](C)(O[Si](C)(C)C)P(=O)(OC(C)C)OC(C)C 169805873 FOKSKSWFILRPCI-WXTAPIANSA-N 458.545 6.442 50 50 JKGA N#CC1=C(N)N(c2ccc(Cl)c(Cl)c2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl 2575536 CXBYJPYEXNVREW-FQEVSTJZSA-N 479.194 6.605 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(N)=C(C#N)[C@H]2c1ccc(Br)cc1 3117635 WJKKIDSWVDUEEL-OAQYLSRUSA-N 482.809 6.043 50 50 JKGA Cc1c(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])c2ccccc2n1C 3186691 PVXXXYPGNSCGFC-RWPZCVJISA-N 478.593 5.638 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccccc1Br 4260060 GHZIPUBHIPQAIS-JVWAILMASA-N 473.326 5.585 50 50 JKGA CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3cccc(OCc4ccccc4Cl)c3)[nH]n2)cc1 4528004 UCARRMYVVCIDNA-LQKURTRISA-N 473.964 5.139 50 50 JKGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 12412741 PFXBRCYWEWRYQI-VWLOTQADSA-N 458.489 5.549 50 50 JKGA Cc1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(=O)n(-c2ccccc2)n1C 19800572 LWLWZQADCJPSBN-JXAWBTAJSA-N 492.457 5.309 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)c2ccc(F)cc2)N1 8400429 FBFIKAIHLVANCM-AREMUKBSSA-N 483.568 5.776 50 50 JKGA N#C/C(=C\c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)c1nc(-c2cccc(Br)c2)cs1 25560081 CEGACCOYLKPMFW-AWNIVKPZSA-N 457.265 5.453 50 50 JKGA C/C(=N/NC(=O)c1sc2ccccc2c1Cl)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 1003515 QWBAVFPIRYOKIV-MUXKCCDJSA-N 491.956 5.690 50 50 JKGA COc1cc(/C=N/NC(=O)COc2cc(C(C)C)ccc2C)ccc1OCc1ccc(Cl)cc1 2531204 NMMFHJYZJVRXTL-WKULSOCRSA-N 480.992 5.889 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1cccc2ccccc12 2921753 UBCVLAUSYOIVAD-NDEPHWFRSA-N 466.606 6.358 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(N)=C(C#N)[C@@H]2c1ccc(C(C)(C)C)s1 3117648 VGVGYQXELXJXHI-JOCHJYFZSA-N 466.050 6.640 50 50 JKGA Cn1c(SCC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc2ccccc21 13233091 TVSAZAJLXAGMGB-VULFUBBASA-N 452.624 5.116 50 50 JKGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc4ccccc34)n2-c2ccccc2)cc1 1787541 LDIWPVJWYQZSNX-RDRPBHBLSA-N 493.592 5.339 50 50 JKGA COC(=O)c1cccc([C@@H](C)Br)c1-c1c(C(=O)OC)cccc1[C@@H](C)Br 2172031 KSPHOTRSFXDUKL-VXGBXAGGSA-N 484.184 5.839 50 50 JKGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 4282542 HTQDPNZFQSYVCP-WPWMEQJKSA-N 469.501 5.000 50 50 JKGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 4335650 FHZIOJHWLMICKF-ZXAKHJNPSA-N 488.971 5.998 50 50 JKGA C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 4360306 XACIDPPXNDQQRK-SVMUSQEWSA-N 472.928 5.630 50 50 JKGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)cc1 25504391 PQGMHWMHMYBGBN-STBIYBPSSA-N 455.489 5.216 50 50 JKGA CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc32)cc1 1857799614 ONKIFIJGJWBMHG-QFIPXVFZSA-N 484.986 5.048 50 50 JKGA N#CC1=C(N)OC2=C(CCC/C2=C\c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(Cl)cc1Cl 2111243 QLLPKSDLBNFQPY-LNYGYFNRSA-N 478.206 7.629 50 50 JKGA COc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2530571 UTAOBJRVMPXRJH-UVHMKAGCSA-N 487.339 5.059 50 50 JKGA O=C(COc1ccc(Cl)cc1)N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12 2532263 MIUVIAQQACVSGH-WKULSOCRSA-N 493.346 5.895 50 50 JKGA CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2ccccc2Cl)C2=C1C(=O)CC(C)(C)C2 2542325 FVLBYBFIWOZAAH-HXUWFJFHSA-N 470.063 6.454 50 50 JKGA CN(C)C1=C(C#N)[C@H]([C@H]2CCCCC2=O)c2c(c3ccccc3n2C)N1c1ccc([N+](=O)[O-])cc1 9322332 KVEPXIHNJAIJLF-RDPSFJRHSA-N 469.545 5.378 50 50 JKGA N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 22023098 KNDPFQVLMGZPTJ-PVZSTHCMSA-N 472.438 5.353 50 50 JKGA Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(C=C(C#N)C#N)c4nsnc34)s2)cc1 95100137 BCJCBXQJAANTJL-UHFFFAOYSA-N 489.629 7.937 50 50 JKGA C/C(=C\C[C@]1(C)CCC[C@H](C)C1=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169832059 NRWJAFXZCMUZQQ-TVRLRQFQSA-N 476.777 7.075 50 50 JKGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccccc1 4366221 SSDGLKAMLQRBHH-NIKULWCKSA-N 494.547 5.499 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2cc(Cl)ccc2Cl)=C(C#N)[C@H]1c1cccs1 9600826 IVWAOFSLMYBMSQ-FQEVSTJZSA-N 463.411 5.956 50 50 JKGA Cc1ccc(N2C3=C(C(=O)CC(C)(C)C3)[C@@H](c3cccs3)C(C#N)=C2n2cccc2)c([N+](=O)[O-])c1 12447362 NXKFBLSDLLCGLA-XMMPIXPASA-N 484.581 6.406 50 50 JKGA CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1cccc(C(F)(F)F)c1 20175994 GLJIUZQBSMEXAE-HZHRSRAPSA-N 494.513 5.949 50 50 JKGA C[C@H]([C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1 100009626 CJWQFYFYZIWGAK-RUZDIDTESA-N 473.601 8.388 50 50 JKGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccc(Cl)c2)cc1OC 4302500 GYGPXFNKJACTHC-MUFRIFMGSA-N 488.927 5.494 50 50 JKGA Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCC(=O)c4cccc([N+](=O)[O-])c4)cc3)n2)cc1C 16320093 DWYOTIZFGBYXJF-YDZHTSKRSA-N 495.560 6.661 50 50 JKGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)cc3OC)[nH]n2)cc1 102300526 LYCBEUKBEVAKHM-TURZUDJPSA-N 478.593 5.597 50 50 JKGA CCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 102316104 ANTOPYPMSRTCFP-JBASAIQMSA-N 485.068 7.710 50 50 JKGA COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 1922604 YNHRGKTZHZDIBE-BHGWPJFGSA-N 459.358 5.475 50 50 JKGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2521835 OYWCUSRCZLLREC-CCVNUDIWSA-N 492.366 5.243 50 50 JKGA CCn1c(SCC(=O)N/N=C(\C)c2ccc(-c3ccccc3)cc2)nnc1-c1ccc(OC)cc1 13581992 PEPFZFVHDZKFIZ-TURZUDJPSA-N 485.613 5.273 50 50 JKGA Cc1sc(-n2c(C)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)c(C#N)c1C 15723878 UGPJTQVTDRVDCR-LQNQUEJISA-N 482.609 5.030 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 2531099 KHCFUHCPKCIQHV-AJBULDERSA-N 480.564 6.310 50 50 JKGA COc1ccccc1OCC(=O)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12 4287116 WDOAXABJTHMAMW-MUFRIFMGSA-N 488.927 5.250 50 50 JKGA CCn1c2ccccc2c2cc(NC(=O)CSC3=C(C#N)[C@H](c4ccccc4F)CC(=O)N3)ccc21 8973249 VGFPKMRXUBHBLZ-FQEVSTJZSA-N 498.583 5.664 50 50 JKGA N#CC1=C(SCc2ccc(Cl)cc2)NC(=O)C[C@@H]1c1ccc(OCc2ccccc2)cc1 9012479 BPSINXYAEIUVAI-HSZRJFAPSA-N 460.986 6.191 50 50 JKGA C/C(=N/NC(=O)c1sc2cccc(Cl)c2c1Cl)c1cccc(NC(=O)c2ccnn2C)c1 20562385 OKPMQFSQACHGPE-PPDIBHTLSA-N 486.384 5.348 50 50 JKGA COC(=O)CCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100730646 XVQCDMUNKJITPQ-UHFFFAOYSA-N 461.606 6.664 50 50 JKGA CC[Si](CC)(CC)O[C@@H](CCS(=O)(=O)c1ccccc1)COCc1ccc(OC)c(OC)c1 169836222 OFYPEOYZMINPSQ-QFIPXVFZSA-N 494.726 5.475 50 50 JKGA Cc1cccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)c1 2572915 YYYIRPZLOYKYHF-AFUMVMLFSA-N 451.320 5.049 50 50 JKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](Br)C(=O)C[C@]4(C)[C@@H]3CC[C@@]12C 257347825 VIIVIWOTOXHLTG-YBDNDYKSSA-N 463.544 7.970 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccc(F)cc1 5359728 UVRXACGTGGRBIR-LQKURTRISA-N 466.969 5.510 50 50 JKGA O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1)c1ccccc1 43190681 SLWHGGAEXIAMRB-UXHLAJHPSA-N 484.939 5.902 50 50 JKGA N#CC(C#N)=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nsnc12 98050690 FWTUEQONZCDFRW-UHFFFAOYSA-N 455.546 7.259 50 50 JKGA O=C(OC(=O)c1ccc(Oc2ccc(C(=O)OC(=O)c3ccccc3)cc2)cc1)c1ccccc1 101020665 NNYJZJGEHSQXLB-UHFFFAOYSA-N 466.445 5.473 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OC)cc2)c(OCC)c1 102284476 FHMLVWWZYMWIRF-JBASAIQMSA-N 496.648 6.684 50 50 JKGA C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)NN=C(C)c1ccc2ccccc2c1 245241056 WQXCHYIRRZTZET-FQEVSTJZSA-N 485.613 5.217 50 50 JKGA CCCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1 2519977 BATHCNNFWUZTFG-JVWAILMASA-N 495.373 5.529 50 50 JKGA Cc1cc([C@@H]2C(C#N)=C(N)N(c3cc(C(F)(F)F)ccc3Cl)C3=C2C(=O)CCC3)c(C)s1 2520969 ZLWYSUPEVDMUEX-HXUWFJFHSA-N 477.939 6.342 50 50 JKGA CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2ccccc2[N+](=O)[O-])C2=C1C(=O)CC(C)(C)C2 5949773 BSBYYBNHDBYONF-FQEVSTJZSA-N 480.615 5.709 50 50 JKGA COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 12364171 XDSPRMBJDINNDD-GRSHGNNSSA-N 454.309 6.343 50 50 JKGA O=C(N/N=C\c1cn(Cc2c(F)cccc2Cl)nc1-c1ccccc1)c1ccc(Cl)s1 20568747 ZYPNEKFVZKGGLB-RAWMCFOBSA-N 473.360 5.870 50 50 JKGA FC(F)(F)c1ccc(P(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1 59448273 PXYCJKZSCDFXLR-UHFFFAOYSA-N 466.283 6.501 50 50 JKGA CCOc1cc(/C=N/NC(=O)COc2ccc(CC)cc2)ccc1OCc1ccc(Cl)cc1 4303185 MLAAFRXDOQSLNN-LQKURTRISA-N 466.965 5.409 50 50 JKGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)c2ccccc2)N1 4391381 MERKJUHGADBKIX-AREMUKBSSA-N 465.578 5.637 50 50 JKGA Cc1cc([N+](=O)[O-])ccc1N/C=C(\C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 103953646 SREAWDIVKOOQCS-GHRIWEEISA-N 480.505 6.263 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccc(OCc2ccccc2)cc1 2578285 JWMDGYPLMWDOBU-UXHLAJHPSA-N 484.939 5.902 50 50 JKGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1 5354360 FSRSRTZOHCYAMF-RDRPBHBLSA-N 460.541 5.310 50 50 JKGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc3ccccc3c2)ccc1OC(=O)c1ccc(C)cc1 4259808 IDDCSBMFBDXVHP-PJLCQNFYSA-N 482.536 5.294 50 50 JKGA C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc(O)c4ccccc4n3)ccc2O1 16293555 UOKKRABQNZTVOE-ISPGYRLHSA-N 471.520 5.576 50 50 JKGA COc1ccc(OC)c(-c2c([C@@H]3c4ccccc4C(=O)N3CCCCl)c3ccccc3n2C)c1 334162583 AYEQHTFNJGCTEO-MHZLTWQESA-N 474.988 6.037 50 50 JKGA CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2ccc(F)cc2)C2=C1C(=O)CC(C)(C)C2 2520934 RRYPKRMQLWUHTR-JOCHJYFZSA-N 481.662 6.502 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc(F)cc2)cc1 2531802 ROOFNVSWURWNEB-OCSSWDANSA-N 486.499 5.126 50 50 JKGA BrCc1cc(Br)ccc1-c1ccc(Br)cc1CBr 2173591 NZRBIKOOKFGDML-UHFFFAOYSA-N 497.850 6.668 50 50 JKGA CCN(CC)c1ccc([C@H]2C(C#N)=C(N)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 2573678 XGZOARBILMGPGS-SANMLTNESA-N 454.618 5.782 50 50 JKGA C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1Br 2860229 DGJLUGSQXFXRIE-NTEUORMPSA-N 492.167 5.331 50 50 JKGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)cc2)cc1 4209922 BDZJSWIRDXWLQO-FDAWAROLSA-N 498.966 6.211 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(CC)cc3)cc2)cc1 4258657 XNWPTBHVYVUBJD-VUTHCHCSSA-N 474.557 5.176 50 50 JKGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccc(Cl)cc3Cl)nc3ccccc32)cc1 5359615 HRCSQFXFCBZTMX-UVHMKAGCSA-N 483.424 5.942 50 50 JKGA CCCc1ccc(-c2cc(C(=O)NNC(=O)Nc3ccc(Cl)c(Cl)c3)c3ccccc3n2)cc1 2089823 VLAZWCBPDNWPNG-UHFFFAOYSA-N 493.394 6.628 50 50 JKGA C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc(Cl)cc1 8986646 AEBZSPGVNXBVGS-YZSQISJMSA-N 461.978 5.220 50 50 JKGA COc1ccc(Cl)cc1N/C=C(/C#N)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 15659496 QWVGQUMJHWJWRL-RAXLEYEMSA-N 480.889 5.463 50 50 JKGA COc1ccc(OC)c(NC(=O)/C(C#N)=C/c2ccc(COc3cccc(C(F)(F)F)c3)o2)c1 20228931 YIWBQJNYOPBDHS-XNTDXEJSSA-N 472.419 5.440 50 50 JKGA CCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OCC)cc2)cc1 102281281 YCBCTOUREYMDAU-QFMPWRQOSA-N 494.676 7.456 50 50 JKGA CC(C)(C)[Si](O[C@@H]1CCc2c1ccc1ccc(C=O)cc21)(c1ccccc1)c1ccccc1 169838296 HSAGEGLKFSOWCS-GDLZYMKVSA-N 450.654 6.216 50 50 JKGA CC(C)(C)[Si](OCCOc1cccc(Br)c1)(c1ccccc1)c1ccccc1 196319705 BICJOXIWJXQQCY-UHFFFAOYSA-N 455.468 5.405 50 50 JKGA COc1ccc(/C=C(\C#N)c2ccc(/C(C#N)=C/c3ccc(OC)cc3OC)cc2)c(OC)c1 624527 OZEUUMNXWGGPSJ-RNIAWFEPSA-N 452.510 5.849 50 50 JKGA COc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CC(C)(C)C3)cc1 705625 RVLRLSBVFFXYCG-QFIPXVFZSA-N 467.491 5.655 50 50 JKGA CCCCOc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1 2506285 IBDUWAFVJJSBTA-WPWMEQJKSA-N 481.390 5.971 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)c1 2531417 ZIDCMGHIYKTJIB-HRJIBFCWSA-N 497.507 5.193 50 50 JKGA N#CC1=C(S)N[C@](O)(c2ccccc2)[C@H]([n+]2cccc3cc(Cl)ccc32)[C@H]1c1ccc(F)cc1 3656968 SURHRMXIRQVTFB-WEWMWRJBSA-O 488.995 5.358 50 50 JKGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4261212 IIOLKKKGRJGSEA-QCLOQBNLSA-N 482.511 5.630 50 50 JKGA O=C(Cc1ccccc1)NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97976864 GMKJBSGTFZMXON-UHFFFAOYSA-O 491.378 5.944 50 50 JKGA CCCCCCCCC(=O)N/N=C/c1c(OC(=O)c2ccc(OCC)cc2)ccc2ccccc12 102275084 UXDLWAPECHGSDF-MWAVMZGNSA-N 474.601 6.658 50 50 JKGA C=C[C@](C)(C[C@@H](OCSC)[C@]1(C)C2=C(CCC2=O)CC[C@H]1C)/C(=C/C)O[Si](C)(C)C 169830422 WZLKZAXBIAZMEE-PCWMUMQZSA-N 450.761 7.126 50 50 JKGA COc1ccc(/C=N/NC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc23)cc1 2089656 LFGNIUKSMXWOJP-CVKSISIWSA-N 460.331 5.437 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OC(=O)c1ccc(Cl)cc1 2584825 YWNSGTFBXDZWQY-MUFRIFMGSA-N 488.927 5.581 50 50 JKGA O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)/C(=C/c1ccccc1)NC(=O)c1ccccc1 2912102 VCCDOYDZELFHLS-WAOQMYBISA-N 469.928 5.521 50 50 JKGA C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4210670 ANZDUDKTTQNRFR-SVMUSQEWSA-N 472.928 5.630 50 50 JKGA CC(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccc(Cl)cc4)cc3)[nH]n2)cc1 9359842 QUPAWFNNESOOOX-MUFRIFMGSA-N 472.976 6.196 50 50 JKGA COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)c(Cl)c4)ccc32)cc1OC 826691999 WJMJLNMPNVWTSD-HSZRJFAPSA-N 497.334 5.448 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2Cl)=C(C#N)[C@@H]1c1sccc1C 1199107 CNLRFWKYTAVWTJ-FQEVSTJZSA-N 477.438 6.264 50 50 JKGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 2342234 BQGSGCONXHTSBY-RDRPBHBLSA-N 499.640 5.483 50 50 JKGA O=C(COc1ccccc1Cl)N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl 2521973 QXWMGRQEEIMIQO-UVHMKAGCSA-N 499.375 5.956 50 50 JKGA CCOc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccccc1F 15658867 RDRZXDXDRAMCDD-KGENOOAVSA-N 479.515 5.507 50 50 JKGA C/C(=N\NC(=O)COc1ccc(Cl)c(C)c1)c1cccc(NC(=O)c2sccc2C)c1 20426847 CPRIEAITJNGLOP-WGOQTCKBSA-N 455.967 5.190 50 50 JKGA C=CCc1ccccc1OCC(=O)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 25504493 XPROGCUVAVASSN-FDAWAROLSA-N 468.528 5.816 50 50 JKGA CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)s1 25782299 WIFWZTYMILIUMC-OAQYLSRUSA-N 471.548 6.369 50 50 JKGA COCCOCO[C@@H]1C=C2CC[C@H]3C=CC(=O)C(C)(C)[C@@]2(CC1)[C@H]3O[Si](C)(C)C(C)(C)C 216468150 KHYJJZUWANIJMG-MDJJAXGLSA-N 464.719 5.664 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H](O)[C@H](Br)[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 257358982 XSXHTVGXMMGURA-YDEJNBKOSA-N 483.575 6.813 50 50 JKGA CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)CCl)[C@@H]3c2ccc(N(C)C)cc2)cc1 1875389756 SRRBJGATPDYNQA-JCIKJAKISA-N 451.014 5.180 50 50 JKGA Cc1cc(Br)ccc1N1C2=C(C(=O)CCC2)[C@@H](c2cccnc2)C(C#N)=C1n1cccc1 1432003 PVFUHCYYNRZLNY-DEOSSOPVSA-N 485.385 5.957 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccc(Br)c2)cc1 2584932 VUFMVHUEVAIARC-LQKURTRISA-N 487.353 5.894 50 50 JKGA CCOc1ccc([C@H]2C(C#N)=C(SCc3ccccc3Cl)N=C(O)[C@H]2C(=O)OC)cc1 9089417 YMCULQYXIUWNNT-PMACEKPBSA-N 456.951 5.250 50 50 JKGA O=C(N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2cccc3ccccc23)cc1)c1ccncc1 16675759 KFOBGESELLTWPC-RTQNPRDOSA-N 495.586 6.354 50 50 JKGA CC(C)c1cc(C(=O)N/N=C/c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cs1 20550124 HEVRSHPIVTVAAU-XKJRVUDJSA-N 469.532 6.657 50 50 JKGA C/C(=N/NC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)C(F)(F)F)cc1 20572468 IFQLIGUETBLZMF-WMDMUMDLSA-N 474.291 5.863 50 50 JKGA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)C(Cl)Cl)CC[C@]4(C)[C@@H]3CC[C@@]12C 257348375 FAKDDMAOMPFPIR-VCVKFFIUSA-N 499.607 8.823 50 50 JKGA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]4[C@H](C)/C=C/[C@H](C)C(C)C)[C@@]34CC[C@]2(C1)OO4 257348928 KANYZLRHIUEPFK-WEDPQUMQSA-N 472.710 7.268 50 50 JKGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc3ccccc3c2)c1 2531553 VJNUCNJITAUXMW-BIZUNTBRSA-N 488.543 6.050 50 50 JKGA COc1cc(NC(=S)NNC(=O)c2cc(-c3ccccc3)nc3c(Cl)cccc23)cc(OC)c1 20228132 FOUSOVYICKAAAG-UHFFFAOYSA-N 492.988 5.204 50 50 JKGA COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OCCCCCCBr)ccc32)c1 1848444207 WHTZPPYYDDGZPD-JOCHJYFZSA-N 457.368 5.247 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(N)=C(C#N)[C@H]2c1ccc(Br)cc1 1022759 VSOVCKIYAJLUMI-OAQYLSRUSA-N 466.354 5.529 50 50 JKGA CN(C)C1=C(C#N)[C@@H]([C@@H]2CCCCC2=O)c2c(c3ccccc3n2C)N1c1ccc([N+](=O)[O-])cc1 9322324 KVEPXIHNJAIJLF-HYBUGGRVSA-N 469.545 5.378 50 50 JKGA CC1(C)[C@@H](C(=O)NNC(c2ccccc2)(c2ccccc2)c2ccccc2)CC[C@@]1(C)C(=O)O 12384097 UAGHCTLZYJNSIP-YWEHKCAJSA-N 456.586 5.126 50 50 JKGA CCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc1 13205511 YMPRWBDSSDTMDI-JVWAILMASA-N 458.587 5.034 50 50 JKGA CCc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3)nc2-c2ccc(OC)cc2)cc1 20192432 RFURFCOKKWRGDU-XQNSMLJCSA-N 496.998 6.368 50 50 JKGA O=C(COc1cccc2ccccc12)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 2529714 VHHYSHYQEWDMIU-WKULSOCRSA-N 493.346 5.895 50 50 JKGA Cc1cccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)c1 4258951 KOVZBCZVMBORTD-UZWMFBFFSA-N 486.575 6.191 50 50 JKGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 4261190 BTAVECNFRHNTNC-QCLOQBNLSA-N 498.966 6.144 50 50 JKGA COCCOCO[C@@H]1C=C2C[C@H]3C=CC(=O)[C@@H](C)[C@@]2(C[C@H]1C)[C@H]3O[Si](C)(C)C(C)(C)C 169829582 PIOIBHNLXGMMQF-ODGNZRFNSA-N 450.692 5.130 50 50 JKGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)c1 2569214 XTIQSARHNTZDMK-RWPZCVJISA-N 464.949 5.520 50 50 JKGA CCCc1cc(C(=O)N/N=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)cs1 20568893 FFMVRTNQPKZXNI-KKMKTNMSSA-N 453.970 6.260 50 50 JKGA CCn1c2ccccc2c2cc(/C=N/NC(=O)c3cc(-c4ccc5ccccc5c4)n[nH]3)ccc21 2388957 RWDOSYNEISTNPZ-UXHLAJHPSA-N 457.537 6.122 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(OC)cc2)cc1 2531860 BUEFTAUTMHJSLH-RDRPBHBLSA-N 468.509 5.230 50 50 JKGA COCc1cc(C)nc2[nH]nc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)c12 33354846 OQESNDNHQRAMPX-UHFFFAOYSA-N 452.498 5.222 50 50 JKGA COCO[C@H]1C[C@@H]2[C@@H](CC(=O)[C@@H]2CCOC(=O)C(C)(C)C)[C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]12 169834831 RROLXCKUTSYGGF-STNDHPGQSA-N 496.761 5.597 50 50 JKGA C=CCc1cccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)c1O 2358723 DHGGFVOHBLJOBG-FOKLQQMPSA-N 491.063 5.160 50 50 JKGA C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1cc2ccccc2nc1Cl 4209379 GWCAMDBOFWDXDI-CTOFZRSPSA-N 459.933 5.385 50 50 JKGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 4360321 YIOZMVUIICNUJU-NXYZXBHKSA-N 457.313 5.130 50 50 JKGA COc1ccc(Br)cc1/C=N/NC(=O)CCn1c2ccccc2c2ccccc21 19893355 LBNUYAZMLVGEHN-MFKUBSTISA-N 450.336 5.106 50 50 JKGA COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(COc3cccc(C(F)(F)F)c3)c2)cc1 20249091 DDMFNKGLXUDLAI-LDADJPATSA-N 482.458 5.847 50 50 JKGA COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccccc1 20562429 GWSHULSMOMYNGD-RGEXLXHISA-N 454.917 5.747 50 50 JKGA N#C/C(=C\c1cccc2ccccc12)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 22023078 JJMVHBVFOIHVIW-VCHYOVAHSA-N 451.463 6.042 50 50 JKGA CC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4260534 GTYJTUVCPOJYCA-VOZXZEHESA-N 489.330 5.659 50 50 JKGA CC/C(=N/NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc(OCC(C)C)cc1 20572512 VJBJQRXXHULWIZ-FSRJSHLRSA-N 486.015 7.134 50 50 JKGA COc1ccc2c(Cl)c(C(=O)N/N=C/c3cc(Br)ccc3OC)sc2c1 25583877 AYCCSYLGBKVGBL-ZVBGSRNCSA-N 453.745 5.098 50 50 JKGA O=C(COc1ccccc1)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12 2530155 YCQAOLPGKVGMFK-WKULSOCRSA-N 493.346 5.895 50 50 JKGA Cc1c(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)c2ccccc2n1Cc1ccc(F)cc1 8670957 IGTARQINNMHYDR-RCCKNPSSSA-N 472.527 5.841 50 50 JKGA N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1c(Cl)cccc1Cl 1472235 ZEVXNFDPKZCPOH-HXUWFJFHSA-N 459.336 6.064 50 50 JKGA CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2ccc(F)cc2)C2=C1C(=O)CC(C)(C)C2 5950079 RRYPKRMQLWUHTR-QFIPXVFZSA-N 481.662 6.502 50 50 JKGA COc1ccc(NC(=O)/C(C#N)=C/c2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)cc1 20249094 GGXGIZSSZFBPQN-MDWZMJQESA-N 477.731 6.373 50 50 JKGA Cc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(SCC(=O)c2ccccc2)o1 100297276 OZOPQRVCYWJFAX-UHFFFAOYSA-N 494.576 5.577 50 50 JKGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccc1OCc1ccc(Cl)cc1Cl 1128484 GDFCGOZETSTXRW-JOCHJYFZSA-N 469.368 6.023 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@@H]1c1ccc(F)c(Br)c1 1175355 KOTQBRPPXHPQSJ-LJQANCHMSA-N 461.294 5.350 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2cccc(C)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2521808 PNMVDVPQNKGJQY-MZJWZYIUSA-N 471.340 5.684 50 50 JKGA O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 2902031 GLRLJYGQISFACL-OGLMXYFKSA-N 487.353 5.514 50 50 JKGA Cc1cccc(C(=O)[C@H](Br)[C@@H](c2ccccc2)C2(C)C(=O)c3ccccc3C2=O)c1 3121958 PSSABAHYGLBCDR-FGZHOGPDSA-N 461.355 5.811 50 50 JKGA C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 195789197 LQMPINNWAPYALU-KSFYIVLOSA-N 455.627 5.389 50 50 JKGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12 2542811 ZKFITIMIXGWDLP-MUFRIFMGSA-N 485.927 5.110 50 50 JKGA CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C1C(=O)CCC2 2891843 SKCRTOZALPAAFT-HXUWFJFHSA-N 466.588 5.300 50 50 JKGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1OCc1ccccc1 5297253 HYGGOUNYWVNYAU-JFLMPSFJSA-N 460.921 5.082 50 50 JKGA C/C(=N\NC(=O)C1c2ccccc2Oc2ccccc21)c1cccc(NC(=O)c2ccoc2C)c1 8454253 CZQWHEMCEMIMJY-OCSSWDANSA-N 465.509 5.618 50 50 JKGA CCc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccc(Cl)cc4)cc3)n[nH]2)cc1 9374749 PSAFEKFYADVJST-LQKURTRISA-N 458.949 5.635 50 50 JKGA N#CC1=C(n2cccc2)N(c2ccc(C#N)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 12360543 RIMIYNUKIDYZQL-SANMLTNESA-N 460.493 5.092 50 50 JKGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)c(C)c1 28467478 CWAXVAZQXHHGPB-FXBPSFAMSA-N 476.605 7.310 50 50 JKGA C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1 43761079 PKTGAVHLMFSYGK-JFLMPSFJSA-N 497.776 5.457 50 50 JKGA COc1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccccc3)n2-c2ccc(C)cc2)cc1 2347600 JCWHWEZMJBYAOM-RKUQBJHPSA-N 483.597 5.159 50 50 JKGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1 2543317 VVNNATZJHFYSGQ-WKULSOCRSA-N 493.346 6.138 50 50 JKGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)cc1 4259737 CCEKJGJWFWMYIX-FYDYWCEBSA-N 487.339 5.139 50 50 JKGA COC(=O)c1cc(C)sc1NC(=O)/C(C#N)=C/c1cccn1Cc1ccc(Cl)cc1Cl 20344843 JVEUVQQDWADQDW-OQLLNIDSSA-N 474.369 5.545 50 50 JKGA Cc1ccc(-c2nc(=S)c([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(O)[nH]2)cc1 96022288 CSOLLSZMUCSAEI-UHFFFAOYSA-O 479.565 5.440 50 50 JKGA CC1=C(C#N)[C@@H](c2ccccc2Br)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 659078 XULQZEZCUXXSPD-IVZQSRNASA-N 453.767 5.988 50 50 JKGA CCn1c2ccccc2c2cc(/C=N/NC(=O)[C@@H]3CC3(c3ccccc3)c3ccccc3)ccc21 1959351 UFGNBYDDHAVPGF-MLLNQDGASA-N 457.577 6.271 50 50 JKGA CCCCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 4327274 YXCWGHJAFGBJJO-UXHLAJHPSA-N 495.019 6.189 50 50 JKGA C/C(=N\NC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1 8400306 SNEFEJRBYWPODE-JFLMPSFJSA-N 456.329 5.165 50 50 JKGA COc1cc([C@@H]2C(C#N)=C(n3cccc3)OC3=C2C(=O)CCC3)ccc1OCc1ccccc1Cl 12419526 LCGFOOYUGNXFRW-AREMUKBSSA-N 486.955 6.242 50 50 JKGA CCCCCCCCCCCCCCCC(=O)N/N=C/c1cccc(OCc2ccccc2)c1 102282077 CPEGGOIYNIMMJO-QCKNELIISA-N 464.694 8.197 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(C)(C)C)cc3)nnc2-c2ccccc2)cc1 1823514 INEJNZNJYCNKFX-RDRPBHBLSA-N 483.641 5.783 50 50 JKGA COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)S(=O)(=O)c3ccc(C)cc3)oc12 6165535 OUFKEWHZYIEUQN-BUVRLJJBSA-N 495.560 5.941 50 50 JKGA O=C(CCCCCCCCC(=O)N/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 8426885 DJCQEMKSGIGGQZ-XUIWWLCJSA-N 475.420 5.715 50 50 JKGA CCSc1[nH]c(-c2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97950542 LPYLVMZJXDYMJQ-UHFFFAOYSA-N 465.582 5.808 50 50 JKGA N#CCSc1[nH]c(-c2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100855306 VNILSZUIPJOJSM-UHFFFAOYSA-N 476.565 5.312 50 50 JKGA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)c2ccc(C)cc2)N1 1229602 IJEAKCNVLXBUDT-AREMUKBSSA-N 499.661 6.316 50 50 JKGA O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2553700 AJZXRRLSUGFPGS-RPPGKUMJSA-N 476.747 5.315 50 50 JKGA COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 4335747 RJZIIVUPFFMLBV-STBIYBPSSA-N 458.945 5.774 50 50 JKGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccc(Br)s3)nc3ccccc32)cc1 5350208 VVGLDHFFODCZHO-WYMPLXKRSA-N 499.459 5.459 50 50 JKGA COc1ccccc1NC(=O)C1=C(C)NC(SCc2ccccc2)=C(C#N)[C@@H]1c1ccco1 8892333 VHIHZKHLMOXUMS-XMMPIXPASA-N 457.555 5.556 50 50 JKGA CC[C@H](C)Oc1c(I)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OC 16447663 FFJSOGJFBBKZNH-OLWAXZHHSA-N 477.298 5.239 50 50 JKGA CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)cc1 26687714 UGUMJZSPEKYTCC-CLCOLTQESA-N 487.607 6.915 50 50 JKGA O=C1O[C@@H](c2ccccc2)N/C1=C(/c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 102311442 LWPKIIGAPMRTHY-HIMAGOGLSA-N 451.462 5.215 50 50 JKGA C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=C(CC)c1ccccc1 245240989 WBXNMIBLHUAUEX-QGZVFWFLSA-N 483.041 5.141 50 50 JKGA COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)cc1 1189292 DSWXJRFUVGBJJB-CPNJWEJPSA-N 456.571 5.460 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)cc2)cc1 4282477 SNRNUONYDWTTRP-NDZAJKAJSA-N 482.536 5.707 50 50 JKGA CC/C(=N\NC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc12)C12CC3CC(CC(C3)C1)C2 8454723 DUQQZMHFQRAOQT-XPXRSFDGSA-N 497.639 6.631 50 50 JKGA CCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 102307840 ULEBIOXDXJHMQE-VFCFBJKWSA-N 457.014 6.930 50 50 JKGA N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)cc1 1435747 WIKWWSBWPAIUJE-HXUWFJFHSA-N 454.755 5.407 50 50 JKGA O=C(N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12)c1ccc2c(c1)OCO2 2530450 UZZCCZXCFNCFJT-CCVNUDIWSA-N 472.884 5.205 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1 2575864 FRUYGDURINBJNQ-JFLMPSFJSA-N 468.937 5.099 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 4292428 LHKWEHDVWWYSQN-ZXAKHJNPSA-N 486.955 5.938 50 50 JKGA N#C/C(=C\Nc1ccccc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 13777694 UBXYUAZPYIWATF-SDNWHVSQSA-N 450.317 5.656 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 2530622 LHKWEHDVWWYSQN-WMMCOQJOSA-N 486.955 5.938 50 50 JKGA CCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C)cc1 2532294 SZLYVOKGFKJPKY-CVKSISIWSA-N 481.346 5.139 50 50 JKGA CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 4261131 GYMRTVKUXBCGCH-WGOQTCKBSA-N 481.346 5.221 50 50 JKGA CC(C)c1ccc(OCC(=O)N/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 4282918 LWYUTAWCNNVNIB-KBVAKVRCSA-N 470.544 6.210 50 50 JKGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1 4354665 HALZMDWNBLPYHB-NKZWWHGNSA-N 473.356 5.499 50 50 JKGA C/C(=N\NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 8455982 ZOKHTWYURUOBOU-ZVBACXLOSA-N 496.822 5.479 50 50 JKGA Cc1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)o2)c([N+](=O)[O-])c1 16361773 WSVMDTOMHTZOGH-GZTJUZNOSA-N 481.489 6.457 50 50 JKGA COc1ccc2nc(Cl)c(/C=C(\C#N)c3nc(-c4ccc(Br)cc4)cs3)cc2c1 16511629 JKVZUKGQKPHKMR-CXUHLZMHSA-N 482.790 6.847 50 50 JKGA N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NCc1ccc2c(c1)OCO2 20457294 CJCONABPWCCPKR-DJKKODMXSA-N 481.335 5.524 50 50 JKGA CCC/C(=N\NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc(Cl)s1 20572526 HTCUCMAZUWONBW-TURZUDJPSA-N 468.409 7.204 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1F)C(N)=C(C#N)[C@@H]2c1ccsc1 1064832 NRKWHTNHHDACJY-IBGZPJMESA-N 472.383 5.591 50 50 JKGA CC(C)(C)c1cc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)cc(C(C)(C)C)c1O 1788681 JJAXQCGTTMAENH-ZCTHSVRISA-N 469.629 6.636 50 50 JKGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(C)cc2)cc1 2531410 AOZTZNMDORVGBJ-CVKSISIWSA-N 481.346 5.139 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccc(C)cc12)c1cc(O)ccc1O 13322326 UZGRRIAJWNBQKF-UXHLAJHPSA-N 453.542 5.899 50 50 JKGA N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1)C(=O)Nc1ccccc1F 20562595 LHOQLCCFLOPXCX-ZHZULCJRSA-N 456.908 5.937 50 50 JKGA COc1c(C(C)(C)C)cc(Pc2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)cc1C(C)(C)C 100397065 AZEBUSRDBBMQGF-UHFFFAOYSA-N 470.678 7.523 50 50 JKGA CCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c(OC)c1 102266495 KIHFEKYTOWKDQR-OVVQPSECSA-N 458.986 6.159 50 50 JKGA CCCn1c2ccccc2c2cc(/C=C/C3=CC(=C(C#N)C#N)C=C(c4ccccc4)O3)ccc21 685944502 KIMJJAAUOIUABF-WYMLVPIESA-N 453.545 7.517 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2529640 LSOZREWPFPSQAY-LGJNPRDNSA-N 457.313 5.294 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(-c3ccccc3)cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 2848783 TUXJUZRCULGZBD-NDEPHWFRSA-N 499.035 6.908 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2)cc1 4259537 FMGMQPUAPWIIMF-WPWMEQJKSA-N 495.373 5.611 50 50 JKGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Br)o3)cc2)cc1 4260027 SBFDQKNVJWFRIN-MFKUBSTISA-N 485.334 5.204 50 50 JKGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccc(OC(=O)c4ccccc4Cl)cc3)cc2)cc1 4360581 QDXXARXPGQRJQR-FDAWAROLSA-N 498.966 6.211 50 50 JKGA C/C(=N\NC(=O)c1sc2cc(F)ccc2c1Cl)c1cccc(NC(=O)COc2ccccc2)c1 8456007 HIUGEYGHZHKRGP-WKULSOCRSA-N 495.963 5.865 50 50 JKGA COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)o1 15659782 LZZUKDFUTIJGMN-NTEUORMPSA-N 486.875 5.221 50 50 JKGA C/C(=N\NC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1)c1ccc(C)cc1 25782975 LRUDJOIGSOVXIE-MTDXEUNCSA-N 458.949 5.772 50 50 JKGA O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 239439362 ZUSLMGRVOGXUNI-ZOGCLFRTSA-N 478.342 5.142 50 50 JKGA CCOc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1 2543857 NDEJLCSGNCUWFX-MZJWZYIUSA-N 487.339 5.140 50 50 JKGA CCOc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(OC)c(OC)c3)ccc3ccccc23)cc1 2544366 XTSRERSOMRNOHC-UXHLAJHPSA-N 498.535 5.239 50 50 JKGA Cc1cc(C)cc(OCc2ccc(/C=N/NC(=O)CCn3nc(C(F)(F)F)cc3C3CC3)o2)c1 2784142 GXLUBGAKBQDOSO-XODNFHPESA-N 474.483 5.109 50 50 JKGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1 4209838 JOUXZGZVRDAOQA-JLOKSVCBSA-N 489.325 5.578 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccc2ccccc2c1 5317683 OGYPCLPUFQXJOQ-TWKHWXDSSA-N 464.594 5.870 50 50 JKGA CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2ccc(Cl)c(Cl)c2)C2=C1C(=O)CCC2 9981360 BBXIVOVYFAZKOE-IBGZPJMESA-N 476.454 6.390 50 50 JKGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccccc3C(F)(F)F)nc3ccccc32)cc1 12558913 YWMJINNLEGFHJQ-IPPBACCNSA-N 482.531 5.654 50 50 JKGA CC/C(=N\NC(=O)c1cc(-c2cccc(OCC(C)C)c2)nc2ccccc12)c1cc(O)ccc1O 13321407 QALPGEVLLKPUMQ-QCKNELIISA-N 483.568 5.892 50 50 JKGA O=C(COc1ccc2ccccc2c1)N/N=C/c1cccc(OCc2c(F)cccc2Cl)c1 13322061 RYNZMIQMQZLMCT-WKULSOCRSA-N 462.908 5.740 50 50 JKGA C/C(=N/NC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 20572453 FLJQISDRQWNJMK-ZRGSRPPYSA-N 488.421 6.676 50 50 JKGA CCc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 2300818 UNZBBXDCCOOROY-WPWMEQJKSA-N 455.587 5.048 50 50 JKGA COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2585000 OWGSTGWEKXDMCM-RPPGKUMJSA-N 477.731 5.639 50 50 JKGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 4230336 QPEJJYQZFUAQCX-OJPXDDBDSA-N 472.928 5.630 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1cccc(OCc2cccc3ccccc23)c1 622887 VGTWRVMYYGFPDN-AREMUKBSSA-N 470.532 6.027 50 50 JKGA N#CC1=C(N)OC2=C(CCC/C2=C/c2cccc(Cl)c2Cl)[C@H]1c1cccc(Cl)c1Cl 2783212 MQUVHUDLROVACQ-QTJNJRLBSA-N 478.206 7.629 50 50 JKGA CO[C@H](C(=O)N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1)c1ccccc1 4229723 AQQIPLXDBARKJV-QYJQOTDOSA-N 478.957 5.612 50 50 JKGA Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)C3=C(CCCC3=O)N2)cc1Cl 13174743 UDYXZMNFKZZKQR-QHCPKHFHSA-N 481.980 5.589 50 50 JKGA Cc1ccc(O[Si](Oc2ccc(C)cc2)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1 169810644 QVRHUEBADCVHJB-UHFFFAOYSA-N 456.614 6.972 50 50 JKGA COC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cnc2cc(CO[Si](C)(C)C(C)(C)C)oc2c1 169942636 WACXTLNTNYCVSK-PKTZIBPZSA-N 480.681 5.738 50 50 JKGA CC(=O)C1=C(C)NC(SCc2cccc([N+](=O)[O-])c2)=C(C#N)[C@H]1c1ccc(Br)cc1 1199469 HEWBLJNVPJWBNE-OAQYLSRUSA-N 484.375 5.576 50 50 JKGA N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@H]1c1c(F)c(F)c(F)c(F)c1F 2753920 LRFBOJZLPLUVKE-AWEZNQCLSA-N 465.809 5.340 50 50 JKGA Cc1ccc(C)c([C@@H](C)NC(=O)/C(C#N)=C/c2cccn2Cc2ccc(Cl)cc2Cl)c1 20356971 OPFWJFXXRFMWHA-BAOGCXAUSA-N 452.385 6.244 50 50 JKGA CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)C[C@H](c1ccccc1)C2 1440789 VBWITZSAPVJGSN-UZUQRXQVSA-N 478.687 5.393 50 50 JKGA COc1ccc(Cl)cc1NC(=S)NNC(=O)[C@H](Sc1ccccc1)c1ccccc1 2855754 OMVSNPFGVDRLDN-HXUWFJFHSA-N 458.008 5.200 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1)C(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 1057068 XRPAAEULWKOIJN-OAQYLSRUSA-N 493.361 5.298 50 50 JKGA COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2584794 QEXAKAVKJRKTBP-RPPGKUMJSA-N 477.731 5.639 50 50 JKGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 4230230 LVYZMVDLJVTEKG-FKBXNUFCSA-N 478.548 5.799 50 50 JKGA C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 4259637 GBAONKPSLWWORV-MAZFOTSLSA-N 488.543 6.130 50 50 JKGA CSc1ccc([C@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)C3CCN4CC3)C3=C2C(=O)CCC3)cc1 12371894 ZOYWLLKIWRHEED-QFIPXVFZSA-N 499.665 5.344 50 50 JKGA O=C(N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl)c1cc(Cl)ccc1O 13321830 RJYCMKLDQBFWHK-NSKAYECMSA-N 467.711 5.834 50 50 JKGA COc1ccc(/C(C)=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 13583486 AQECZRQDYDBPLG-LPYMAVHISA-N 479.052 5.125 50 50 JKGA O=C(N/N=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc(Br)cc1 32606210 NGJUCHBCGNHEOM-YUMHPJSZSA-N 473.326 5.585 50 50 JKGA N#C/C(=C/C=C/c1ccccc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2493938 MDHBKRRAUPLKQD-QSJINSDNSA-N 461.340 6.299 50 50 JKGA CCCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCCC)cc3)cc2)cc1 4259058 NTXLITKNWULPHE-ZTKZIYFRSA-N 474.557 5.637 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2)=C(C#N)[C@@H]1c1c[nH]c2ccccc12 9968503 YGCMOMWGVOHKQW-XMMPIXPASA-N 461.974 5.722 50 50 JKGA CC(C)(C)C(=O)N1CCOc2nc(CCCO[Si](C)(C)C(C)(C)C)c(Br)cc21 169794258 ULEGZPIBYWCLAM-UHFFFAOYSA-N 471.512 5.570 50 50 JKGA in-vitro C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1Br 1772491349 PVLBSRDKJDPJQU-MDWZMJQESA-N 450.119 5.314 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(n1cccc1)=C(C#N)[C@H]2c1ccc2c(c1)OCO2 1432026 RJQTVVMBVKQREV-AREMUKBSSA-N 499.517 6.134 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1ccc(Cl)c(Cl)c1 2584970 BLYLTPGOMSNBPS-BRJLIKDPSA-N 492.156 5.739 50 50 JKGA O=C(N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1)c1ccc2c(c1)OCO2 4209865 HBCSZBBOEMWGLU-RPPGKUMJSA-N 478.913 5.267 50 50 JKGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1 4210478 HELMZHBEKBFQGC-LKXDQBMJSA-N 460.942 5.937 50 50 JKGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccccc2C)cc1 4261236 KJBCYEZCVILCQV-RDRPBHBLSA-N 468.557 5.166 50 50 JKGA N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1nc(O)c2ccccc2n1 16293574 FGBPFZIEYMMELH-NBVRZTHBSA-N 494.352 6.015 50 50 JKGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)[C@](C)(c2ccccc2)CC(C)(C)N4)cc1 1857526091 JPGVZALWTUMGQV-WNJJXGMVSA-N 451.570 5.814 50 50 JKGA O=C(N/N=C/C=C/c1ccccc1)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)[nH]n1 9360201 OVUKDJUJTBWEFV-BCPKMMRNSA-N 456.933 5.738 50 50 JKGA Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccc3ccccc3c2)c1 19800609 AZNTTXGPPMTRHK-UXHLAJHPSA-N 460.537 5.530 50 50 JKGA O=C/C(=C\Nc1ccc(Br)cc1)[C@H](Nc1ccc(Br)cc1)c1ccco1 25781871 IIYGNVYPDSEHOW-PKHIPVCBSA-N 476.168 6.153 50 50 JKGA c1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(N3CCCCC3)o2)cc1 97949764 XJQCYOPAITWQBW-UHFFFAOYSA-N 489.579 5.951 50 50 JKGA N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)c1ccc(F)cc1 1068853 LPBDBKDEOWLPKB-PDGQHHTCSA-N 451.295 5.670 50 50 JKGA CCc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CC(C)(C)C3)s1 1171938 SJUOYOLWNXUNGO-NRFANRHFSA-N 471.548 6.270 50 50 JKGA COc1ccccc1OCC(=O)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 4282793 XEEFAJVWFIIOIK-MUFRIFMGSA-N 458.489 5.096 50 50 JKGA CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C1C(=O)CC(C)(C)C2 27550694 NZEHQKOAJJRIOU-HXUWFJFHSA-N 480.615 5.628 50 50 JKGA CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 101134211 VTUXNRKFFGSUAE-XMMPIXPASA-N 492.528 5.215 50 50 JKGA O=C(Nc1ccc(Br)cc1)[C@@H](Br)[C@H](Br)c1ccccc1 1737977 XFDWMSWRUOGPKM-KGLIPLIRSA-N 461.979 5.287 50 50 JKGA N#C/C(=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Br)cc2)cs1 13027835 DYPBWDMEIUMRSL-KGENOOAVSA-N 473.395 7.216 50 50 JKGA C/C(=N/NC(=O)c1ccoc1C)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c1 20568554 BRTGKNIVVRXRIO-COXSBDCDSA-N 453.926 5.110 50 50 JKGA Cc1cc([C@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3Cl)C3=C2C(=O)CC(C)(C)C3)c(C)s1 25782573 RQMDCKCURGSECL-NRFANRHFSA-N 482.993 5.867 50 50 JKGA C=CCc1ccc(OCC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)c(OC)c1 2530494 CEOKEPJVIPDZNX-LQKURTRISA-N 464.949 5.185 50 50 JKGA O=C(COc1ccc(F)cc1)N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12 2532154 MFFOWDYOIPQDDE-WKULSOCRSA-N 476.891 5.381 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1 2573764 NROWTAPXIQBCAQ-QHCPKHFHSA-N 489.044 6.093 50 50 JKGA CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 2774516 COWGPVLJXIXWTL-UVHMKAGCSA-N 477.775 6.388 50 50 JKGA Cc1ccc(N2C3=C(C(=O)CCC3)[C@H](c3ccc(C)s3)C(C#N)=C2n2cccc2)c([N+](=O)[O-])c1 12447345 OICLTBOSDPDUKW-DEOSSOPVSA-N 470.554 6.078 50 50 JKGA COc1cccc(-c2n[nH]c3c2[C@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)c1 20418642 PBYWIABEISHUDP-XMMPIXPASA-N 464.525 5.191 50 50 JKGA Cc1ccccc1COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)cc4)c32)c1 20418647 PWYKLJOZEBTIQS-HSZRJFAPSA-N 468.944 5.836 50 50 JKGA N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1ccc(F)c(F)c1 1775976226 PLWPTWSAHNMHLR-VWLOTQADSA-N 454.432 5.555 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1F)C(N)=C(C#N)[C@@H]2c1ccc(F)cc1 707318 GBWMJYVRGSDXTM-NRFANRHFSA-N 484.344 5.668 50 50 JKGA CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CC(C)(C)C2 2520949 WQETWAQDWAJDNY-HXUWFJFHSA-N 470.063 6.454 50 50 JKGA O=C(NNC(=S)Nc1cccc2ccccc12)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)F 2792330 BVASGBSIUWNVST-SFTDATJTSA-N 492.555 5.031 50 50 JKGA COc1cc([C@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O 19770403 VUUSIJZLBUZBKI-QRQCRPRQSA-N 465.347 5.048 50 50 JKGA N#C/C(=C\c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)C(=O)NCc1ccc2c(c1)OCO2 20457148 BPMVJWWUEWZFJB-UFWORHAWSA-N 481.335 5.524 50 50 JKGA CC(C)(C)[C@H]1CCc2c(C(=O)N/N=C\c3cn(Cc4ccccc4)c4ccccc34)csc2C1 32573502 GNKJTAIDPKPGPC-GWPKRETCSA-N 469.654 6.666 50 50 JKGA CC(C)CCC[C@H](C)CCOc1cc(CCl)c(OCC[C@@H](C)CCCC(C)C)cc1CCl 100652858 PVLQKAUCHQKDLW-ZEQRLZLVSA-N 487.596 9.627 50 50 JKGA O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1F)N2 229865838 OCDBIIVGALZXKN-IGCYBFCNSA-N 498.963 6.471 50 50 JKGA N#CC1=C(n2cccc2)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@@H]1c1ccsc1 1432892 RDSOHNGGPXHKSM-JOCHJYFZSA-N 465.500 6.572 50 50 JKGA O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 4232049 RLTWLUHAVQLTON-WYMPLXKRSA-N 482.776 5.212 50 50 JKGA CCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2C)cc1 102288422 UPDIYGXMKGFIEB-JJKYIXSRSA-N 464.650 7.365 50 50 JKGA C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 169748395 LQMPINNWAPYALU-ZHRRBRCNSA-N 455.627 5.389 50 50 JKGA in-vitro CC1=C(C#N)[C@H](c2ccccc2Br)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 659089 XULQZEZCUXXSPD-NYHFZMIOSA-N 453.767 5.988 50 50 JKGA O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(OCc2ccccc2)cc1 2543134 BYYHMHAKFLDQHI-UXHLAJHPSA-N 484.939 5.902 50 50 JKGA CCOC(=O)/C=C/c1cccnc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1 8382277 LQRBVSTWBCOVEW-QZQOTICOSA-N 452.494 5.467 50 50 JKGA CC(C)[Si](O[C@@H]1CO[C@@]2(CCCC2=O)C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C 169833970 GXDXWRLDBWNLRK-SLQPCKNISA-N 498.897 8.020 50 50 JKGA COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1cc2ccccc2oc1=O 1808361 DHVDFWCWCWIGJF-XDHOZWIPSA-N 457.869 5.738 50 50 JKGA CC1(C)CC(=O)C2=C(C1)N(c1c(F)cccc1F)C(N)=C(C#N)[C@@H]2c1cccc(Cl)c1Cl 2192623 PBGBAZHXZPLTLH-IBGZPJMESA-N 474.338 6.212 50 50 JKGA O=[N+]([O-])c1cc(-c2ccccc2)ccc1SSc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 2277733 QATCJAOJNJYQPM-UHFFFAOYSA-N 460.536 7.636 50 50 JKGA COc1ccc2nc3cc(Cl)ccc3c(N[C@@H](C)CCCN(CCCl)CCCl)c2c1 4404007 UKOBAUFLOGFCMV-INIZCTEOSA-N 468.856 6.410 50 50 JKGA in-vivo N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1cccc(OCc2cccc(Cl)c2)c1 20437322 LPPKPFKBBLNJCH-JOCHJYFZSA-N 489.362 6.181 50 50 JKGA C/C(=N/NC(=O)c1ccoc1C)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1 20568556 BRTGKNIVVRXRIO-IZGWQLHLSA-N 453.926 5.110 50 50 JKGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 43190670 RGUWDZMAXZTPRX-KVSWJAHQSA-N 490.774 5.106 50 50 JKGA CCOC(=O)N/N=C1/C=C2CC[C@@H]3[C@@H]4C[C@@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 253503802 ZGBFIPQSPKDRKC-MLQKJAGXSA-N 454.655 6.427 50 50 JKGA biogenic,in-vitro COc1ccc(OC)c(-c2c([C@H]3c4ccccc4C(=O)N3CCCCl)c3ccccc3n2C)c1 334162582 AYEQHTFNJGCTEO-HHHXNRCGSA-N 474.988 6.037 50 50 JKGA O=C(Oc1ccc(Br)cc1/C=N/NC(=O)C1CCCCC1)c1ccc(Cl)cc1 2531296 AIOJKQPEISTIOB-ZMOGYAJESA-N 463.759 5.352 50 50 JKGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 4260537 QOXBBASJVFMUDW-OCSSWDANSA-N 485.515 5.045 50 50 JKGA COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccccc1C#N 16195740 CCJOJOCFGUBUPQ-FBHDLOMBSA-N 489.325 5.671 50 50 JKGA CCSc1sc(-c2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95749434 CKGCCCVVEBIXDF-UHFFFAOYSA-N 482.634 6.542 50 50 JKGA COc1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2)cc1COc1ccc([N+](=O)[O-])c(C)c1 2089878 WLPHLDHZXWZBHD-MUFRIFMGSA-N 499.523 5.173 50 50 JKGA COc1ccc2cccc(-c3cc(C(=O)N/N=C(\C)c4ccc(Br)cc4)[nH]n3)c2c1 5297423 ZIVSSGJRLRBVRT-AFUMVMLFSA-N 463.335 5.155 50 50 JKGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(Oc2ccccc2)c1 102288378 SKROOXZYWYCHCN-UQRQXUALSA-N 479.665 6.746 50 50 JKGA CC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)cc(C)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 1113094 HADGMNCUVXPYGG-DEOSSOPVSA-N 466.006 5.614 50 50 JKGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(F)cc3)nnc2-c2ccc(Cl)cc2)cc1 1753631 LABWCLUGHPGSQN-MZJWZYIUSA-N 479.968 5.278 50 50 JKGA CC(/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)=C\c1ccccc1 2341706 WHWUHVYMNWEUJE-WUSAKTFYSA-N 467.598 5.540 50 50 JKGA CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Oc1ccc([N+](=O)[O-])cc1 2391044 MVEIXSDKRRSDPM-VWLOTQADSA-N 474.513 5.454 50 50 JKGA in-vitro Cc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)c1 2530382 HHUUMASJZIANGP-NDZAJKAJSA-N 478.504 5.197 50 50 JKGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc(OCc4ccccc4)cc3)c2)cc1 2542724 ZTZAOHSIEMFMNU-NDZAJKAJSA-N 480.520 5.257 50 50 JKGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cccc(C)c2)cc1 4259489 LXKMQIHPDSZPMJ-AFUMVMLFSA-N 451.320 5.049 50 50 JKGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 4259880 NNSBMYZVVBTGOR-BIZUNTBRSA-N 490.538 6.021 50 50 JKGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(-c4ccccc4)cc3)cc2)cc1 4261040 NEXYQVKVYBLYSR-NDZAJKAJSA-N 480.520 5.111 50 50 JKGA N#C/C(=C\c1ccc(I)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 16511473 ZHNHWLNCCUAGIG-NTEUORMPSA-N 459.268 5.387 50 50 JKGA CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(Br)cc2)s1 5919313 PADJFBBQRVLODI-NTEUORMPSA-N 499.390 5.185 50 50 JKGA Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C(\C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1875363353 UBFMUOBOFDOHSN-XYOKQWHBSA-N 499.707 6.705 50 50 JKGA COc1cc(C(=O)N/N=C/c2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc(OC)c1OC 2531095 DDIHYFPDIPEFAJ-OCSSWDANSA-N 498.535 5.157 50 50 JKGA Cc1ccc(OCC(=O)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc23)cc1 2543100 KCFBALICLQIZOB-MUFRIFMGSA-N 472.928 5.550 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1ccccc1Cl 5350307 QPQLPAFKWMFDEF-MTDXEUNCSA-N 463.006 5.679 50 50 JKGA O=C(N/N=C/[C@@H]1C[C@H]2C[C@H]1[C@]1(F)C(F)(F)C(F)(F)[C@@]21F)c1sc2ccccc2c1Cl 252320600 CQBOJQYDZLICJW-TYZYBJEASA-N 466.834 5.627 50 50 JKGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2cc(Br)cs2)C2=C1CCCC2=O 713566 OKDUDEQFLMUBGP-IBGZPJMESA-N 474.811 5.777 50 50 JKGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@@H](C)Oc2cccc3cccnc23)cc1 2080232 DJSJUNHMSSLRND-XRDWFJMKSA-N 475.552 5.314 50 50 JKGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc(F)cc2)cc1 2530611 URYBXOHEDITDDT-MUFRIFMGSA-N 456.473 5.036 50 50 JKGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 5352543 ADZMCMUOQKJCHG-JVWAILMASA-N 493.976 5.279 50 50 JKGA Cc1ccc(-c2cc(C(=O)NNC(=S)Nc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)c(C)c1 16346235 YVSPLOZPFMYXRA-UHFFFAOYSA-N 471.542 5.058 50 50 JKGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 20457928 JOQTUYAPJZTTOF-QFIPXVFZSA-N 489.362 6.181 50 50 JKGA C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 230208625 MDEVGSRYRLSVOE-GBUWCPSESA-N 465.553 5.193 50 50 JKGA CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 2318266 IDMVVCBKMJCWDP-JVWAILMASA-N 492.004 5.229 50 50 JKGA COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 4372642 PJOLDFJRAWJWAP-LGJNPRDNSA-N 459.329 5.110 50 50 JKGA CC/C(=N/NC(=O)c1cc(-c2ccc(CC)cc2)nc2c(Cl)cccc12)c1ccc(C)s1 20572535 WPMHUNXUUGQUAH-IADYIPOJSA-N 462.018 7.032 50 50 JKGA C/C(=C\C[C@@]1(C)CCC[C@H](C)C1=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169832064 NRWJAFXZCMUZQQ-QSDMLLENSA-N 476.777 7.075 50 50 JKGA COc1ccc(OC)c(-c2cc(C(=O)N/N=C/c3ccc(C(C)C)cc3)c3ccccc3n2)c1 2090859 QCNREQWTLWHNDM-STBIYBPSSA-N 453.542 5.806 50 50 JKGA CCCCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 4283606 LUMSZWCRKVHMCF-STBIYBPSSA-N 480.992 5.799 50 50 JKGA CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(CC)cc3)c3cc(C)ccc3n2)cc1 20192058 SHYDLVJMYRGEBP-AJBULDERSA-N 451.570 6.325 50 50 JKGA N#C/C(=C\c1ccccc1OCc1c(Cl)cccc1Cl)C(=O)Nc1sccc1C#N 20494437 VYWIJVLDHIMMED-MHWRWJLKSA-N 454.338 6.051 50 50 JKGA CC(C)c1cc(C(=O)N/N=C/c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)cs1 20550122 NDFLICDPZQYWGZ-LUOAPIJWSA-N 453.970 6.431 50 50 JKGA CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)c1cc3n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N3)C2 245239065 FBMLHCJNVNTSAR-UWKBYBNDSA-N 477.506 5.615 50 50 JKGA