smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc2ccccc2[nH]1 4342259 PFOJYWNAZJUWLQ-QGOAFFKASA-N 385.854 5.859 50 50 GKGA N#C/C(=C/Nc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 16662119 VZZLRTVPJXRVBO-KAMYIIQDSA-N 382.286 5.549 50 50 GKGA Cc1ccc(-c2cc(C(=O)N/N=C/[C@@H]3C[C@H]4C=C[C@H]3C4)c3ccccc3n2)cc1 101126983 MIMQTSZUPNOIGL-IOOZRYRCSA-N 381.479 5.138 50 50 GKGA N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1)c1ccc(Cl)cc1 12364165 XSOZJXOYJXMDRJ-XGICHPGQSA-N 382.630 5.174 50 50 GKGA CC(=C/c1ccccc1)/C=N/NC(=O)c1ccc(OCc2ccc(C)cc2)cc1 6275065 LPXSAKKHXUHFAV-YGCGRPBFSA-N 384.479 5.393 50 50 GKGA Cc1ccc(-c2cc3nc(C(Cl)Cl)nc(-c4ccccc4C)n3n2)cc1 1857798529 LXWZBYCVVSLPOB-UHFFFAOYSA-N 383.282 5.551 50 50 GKGA Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)c(OCc3ccccn3)c(C)c2)c1 206628653 XURXMECXFPNUTG-STZFKDTASA-N 397.478 5.132 50 50 GKGA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@H](Cl)[C@H](C(C)=O)[C@@]4(C)CC[C@H]32)C1 253500049 VEIABLNKNSOQQY-QIRQPCKNSA-N 392.967 5.303 50 50 GKGA biogenic O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1cc2ccccc2cc1O 1946258 CRRRFSDJOYQTTQ-ZMOGYAJESA-N 390.826 5.223 50 50 GKGA O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1Cl 2584778 RJRBWFJLDOMYQA-ZMOGYAJESA-N 399.277 5.336 50 50 GKGA CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2C)cc1 15685448 VMRXXZMZVMWZEZ-JCMHNJIXSA-N 383.495 5.511 50 50 GKGA CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(-c2cccc(Cl)c2)o1 100195499 KTPXKMUYZFIIJN-MFOYZWKCSA-N 398.853 5.609 50 50 GKGA C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](Cl)CC[C@]4(C)[C@@H]3CC[C@@]12C 257358937 XLDYIGVDJXJPCC-UYJAJFTRSA-N 395.027 6.754 50 50 GKGA Cc1c(Cl)ccc2c(C(=O)Cl)cc(-c3ccc(Cl)c(Cl)c3)nc12 6254490 RMWMYSDXPMUYOB-UHFFFAOYSA-N 385.077 6.549 50 50 GKGA CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(Cl)cc3)n2)cc1 4903492 XIXWZCZYJMPSIV-CPNJWEJPSA-N 378.928 6.870 50 50 GKGA CC1(C)/C2=C/C[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@H]3C(=O)C[C@H]1CC2 169832831 PPYJLHCURJXXBS-WHMLGXLNSA-N 376.657 6.519 50 50 GKGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccc(Cl)c(Cl)c1 4347337 OBUOBZCBUQSOBU-ZMOGYAJESA-N 399.277 5.336 50 50 GKGA O=C(Cl)c1cc(Br)ccc1OCc1c(Cl)cccc1Cl 40451510 JOFSYGRQRDAGOT-UHFFFAOYSA-N 394.479 5.714 50 50 GKGA CCCCCCCCCCCCCC(=O)N/N=C/c1ccc(O)c(OCC)c1 102283213 LPJHSNYKICHMLW-LYBHJNIJSA-N 390.568 5.942 50 50 GKGA C=C1C[C@@H]2[C@@H](C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C2(C)C 169838080 GREDLYAZTYXYPM-WXFUMESZSA-N 390.643 5.554 50 50 GKGA COc1ccccc1/C=C/C=N/NC(=O)CCn1c2ccccc2c2ccccc21 1824340 FXFFDLLFZSSOEH-INVZISBRSA-N 397.478 5.009 50 50 GKGA N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)c1nc2ccccc2s1 4537196 VLXOWXVKAOKYGP-ZRDIBKRKSA-N 397.286 6.927 50 50 GKGA Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3sccc3C#N)cc2)c1 17081704 UVSYVXHVXADVQO-NDENLUEZSA-N 399.475 5.053 50 50 GKGA C(=C\P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1 6844357 NCKJIJSEWKIXAT-DQRAZIAOSA-N 396.410 5.723 50 50 GKGA N#C/C(=C\c1ccccc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)ccc2s1 5041932 FBCRQCJBNPZHMB-YRNVUSSQSA-N 375.331 5.287 50 50 GKGA CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2[C@H]([C@H]3[C@@H](C1)C3(Cl)Cl)C2(Cl)Cl 257347060 QEKNNVGSMWNWRH-IYKVGLELSA-N 390.254 6.010 50 50 GKGA CC1(C)C2=CC[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@H]3C(=O)C[C@H]1CC2 1501069140 PPYJLHCURJXXBS-ANTGDGSKSA-N 376.657 6.519 50 50 GKGA CCC[C@@H](C)/C=N\NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12 17077666 XZJWMJVEBGMZKW-CPISYKEBSA-N 379.891 5.707 50 50 GKGA N#C/C(=C\c1cccc(OCc2c(F)cccc2Cl)c1)C(=O)c1ccccc1 2325809596 MQDUVGBTMJCZMU-LDADJPATSA-N 391.829 5.848 50 50 GKGA N#C/C(=C\c1ccc(-c2ccccc2C(F)(F)F)o1)c1nc2ccccc2[nH]1 4997665 WACAODCDIQFUDJ-ACCUITESSA-N 379.341 5.906 50 50 GKGA N#C/C(=C\Nc1cccc(F)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 5008869 YHZXALZDEKLCOU-FMIVXFBMSA-N 390.270 6.233 50 50 GKGA CC(/C=N/NC(=O)CCn1c2ccccc2c2ccccc21)=C\c1ccccc1 19880750 OANCDDYAAWGOCN-ZKQKEKEQSA-N 381.479 5.390 50 50 GKGA N#C/C(=C(/O)c1ccc([N+](=O)[O-])cc1)c1nc2cc(C(F)(F)F)ccc2s1 101018187 ORJKHTDUYCXQDO-QINSGFPZSA-N 391.330 5.173 50 50 GKGA CCCCCCCCCCCCCCCC(=O)N/N=C/c1cccc(Cl)c1 102290968 HPOWVOFNRWZZMW-LKUDQCMESA-N 393.015 7.271 50 50 GKGA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@H](Cl)[C@@H](C(C)=O)[C@@]4(C)CC[C@H]32)C1 253500050 VEIABLNKNSOQQY-SESXCDJTSA-N 392.967 5.303 50 50 GKGA biogenic CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1O 4996019 BORDWKFHQNZVIO-OQLLNIDSSA-N 382.872 5.632 50 50 GKGA Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)c2C)cc1 12363871 OMBCKNDMVBTYPR-CPNJWEJPSA-N 389.886 5.602 50 50 GKGA CC(C)=C1CC[C@H]2CCC3=CC(=O)[C@H](C)C[C@@]3(C1)[C@H]2O[Si](C)(C)C(C)(C)C 169829594 DNPHHNHRYIWEKM-WPOIJDHESA-N 388.668 6.829 50 50 GKGA N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)c1nc2ccccc2[nH]1 4678138 ANFALTATYFVHBS-LDADJPATSA-N 385.854 5.859 50 50 GKGA CCc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1 17078515 NDSCTZUYRUYLCY-UDWIEESQSA-N 384.483 5.110 50 50 GKGA BrCC1=C(CBr)C2c3ccccc3C1c1ccccc12 101010232 IEQCYKXWMDPHCO-UHFFFAOYSA-N 390.118 5.364 50 50 GKGA C[C@H](CO)[C@@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C 169836262 MSSDMAPKLQHVCC-QZTJIDSGSA-N 390.757 6.197 50 50 GKGA Cc1cc2nc(/C(C#N)=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[nH]c2cc1C 4867304 SWFBZJVHQIPARB-LFIBNONCSA-N 384.395 5.412 50 50 GKGA CC(/C=C/c1ccccc1)=N\NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 4950295 LRMAWKPGXNFKNT-CIBYYNBWSA-N 380.491 5.198 50 50 GKGA CS[C@@H]1CC[C@@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1 170594548 SMBLUNKIXCLZLV-GHMZBOCLSA-N 376.416 5.750 50 50 GKGA Cc1cc(/C=C(\C#N)c2ccccc2Cl)c(C)n1-c1ccc([N+](=O)[O-])cc1 1122722 ZXURBEQCLIDVDD-SFQUDFHCSA-N 377.831 5.720 50 50 GKGA O=C(NN=C1CCCC1)c1[nH]c2ccc(Br)cc2c1-c1ccccc1 1230741 AUSKZVRLAMRTAR-UHFFFAOYSA-N 396.288 5.257 50 50 GKGA O=C(N/N=C/c1ccccc1OCc1ccccc1)c1cccc2ccccc12 2820888 TWHGYWRQZSKWDH-YZSQISJMSA-N 380.447 5.183 50 50 GKGA CCCCOc1ccc(-c2cc(C(=O)Cl)c3ccc(Cl)c(C)c3n2)cc1 6042731 APUUSQMYFCWRLO-UHFFFAOYSA-N 388.294 6.422 50 50 GKGA C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC/C2=N/NC(=O)c1ccncc1 1772491776 NWHPXJRIVOPQQQ-QNBBBSCBSA-N 393.575 5.600 50 50 GKGA Cc1ccc(-c2cc3nc(C(Cl)Cl)nc(-c4ccccc4F)n3n2)cc1 1857798695 YNWKOSMZHMZEBS-UHFFFAOYSA-N 387.245 5.382 50 50 GKGA FS(F)(F)(F)(F)c1ccc(NCc2csc(-c3ccsc3)n2)cc1 170616001 NPOUFCGVNBQJTQ-UHFFFAOYSA-N 398.447 7.141 50 50 GKGA COc1ccc(-c2csc(/C(C#N)=C/c3ccc(Cl)cc3Cl)n2)cc1 3997366 OIWPFZGXYNKNOV-RIYZIHGNSA-N 387.291 6.190 50 50 GKGA C(#CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1 1640386 FOWZHJNBFVLJGP-UHFFFAOYSA-N 394.394 5.171 50 50 GKGA C[Si](C)(CC[C@@H]1CC[C@@H]2O[C@@H]2C1)O[Si](C)(C)CC[C@@H]1CC[C@H]2O[C@@H]2C1 169992053 UQOXIKVRXYCUMT-IPJCAIGPSA-N 382.693 5.328 50 50 GKGA in-vitro CC1=C(C#N)[C@H](c2ccc(-c3ccccc3Cl)o2)C2=C(CC(C)(C)CC2=O)N1 629437 WVYFTMXSUKJKGV-OAQYLSRUSA-N 392.886 5.728 50 50 GKGA N#C/C(=C\C=C\c1ccccc1)c1ccc(/C(C#N)=C/C=C/c2ccccc2)cc1 2549204 NXURYECVZQGPRL-UWSNULGSSA-N 384.482 6.927 50 50 GKGA CC(C)C[C@H](NC(=O)CCCC[C@H]1CCSS1)c1nc2ccccc2[nH]1 217689412 XRDXMZAROCJAHL-YJBOKZPZSA-N 391.606 5.480 50 50 GKGA biogenic COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1 1188503 KVYVWKSDSZVNET-KGENOOAVSA-N 399.494 5.265 50 50 GKGA CCOc1ccc([C@H]2CC(=O)NC(SCc3ccccc3Cl)=C2C#N)cc1 2836465 ISMWLYNWUIQQRH-QGZVFWFLSA-N 398.915 5.011 50 50 GKGA O=C1c2ccccc2CC[C@@]1(Br)[C@@H](Br)c1ccccc1 1744911 IXNZDXYMRGOCOZ-DOTOQJQBSA-N 394.106 5.085 50 50 GKGA C=CCOc1ccc(Br)cc1/C=C(/C#N)c1nc2ccc(C)cc2[nH]1 6628500 WRVBRKBWDACPDI-GDNBJRDFSA-N 394.272 5.263 50 50 GKGA COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccccc1 16195730 OSFOXZQOSHNECB-GRSHGNNSSA-N 393.845 6.131 50 50 GKGA Cc1ccc(-c2cc(C(=O)Oc3ccc([N+](=O)[O-])cc3)c3cc(C)ccc3n2)cc1 2577071 DZEONIOYBIUKSD-UHFFFAOYSA-N 398.418 5.646 50 50 GKGA N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1cccc(Cl)c1 1220869 SSOOHTPJTVHSJY-GXDHUFHOSA-N 383.234 5.799 50 50 GKGA CCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(Cl)cc1 102287656 QWEXEIVPURWGQD-LKUDQCMESA-N 393.015 7.271 50 50 GKGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1csc2ccccc12 2089982 BNWGWWCOWYOCBE-ZVHZXABRSA-N 386.476 5.244 50 50 GKGA Cc1cccc(C2CC3(CCN(C(=O)Oc4ccc([N+](=O)[O-])cc4)CC3)C2)c1 100010140 ORGGXELYDKDENI-UHFFFAOYSA-N 380.444 5.062 50 50 GKGA N#C/C(=C\c1ccccc1F)c1nc(-c2ccc(Br)cc2)cs1 4010712 DHIZIRCEXIZOFJ-NTEUORMPSA-N 385.261 5.776 50 50 GKGA Cc1cc(C)c(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)c1 4982585 JJMAJYSPTNHQTB-GZTJUZNOSA-N 379.916 6.365 50 50 GKGA COc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 12952506 FFIZDSPVCQQFTA-OQLLNIDSSA-N 382.872 5.545 50 50 GKGA Cc1cc(C)cc([C@H](Br)[C@@H](Br)c2cc(C)cc(C)c2)c1 3122047 WANIZVCEDNZKEI-ROUUACIJSA-N 396.166 6.492 50 50 GKGA N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(C(=O)O)cc1 4867520 JYSWXDZFGWQQGE-OQLLNIDSSA-N 384.218 6.016 50 50 GKGA CCOc1ccc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 5008818 WZYVZFPHZPAWPZ-MHWRWJLKSA-N 377.425 5.181 50 50 GKGA Cc1ccc2nc(Cl)c(/C=C(\C#N)c3nc(-c4cccs4)cs3)cc2c1 4991744 VKJGXMRKGOKBGE-OQLLNIDSSA-N 393.924 6.446 50 50 GKGA CCCCCCCCCCCCCC(=O)N/N=C/c1ccc(C(=O)OC)cc1 102316258 GSXGZHGSWDEKRQ-LYBHJNIJSA-N 388.552 5.624 50 50 GKGA CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 4991620 VZJYSNKZRDSVLL-XMHGGMMESA-N 390.508 6.062 50 50 GKGA CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC 44201930 NWADXBLMWHFGGU-UHFFFAOYSA-N 382.629 7.898 50 50 GKGA biogenic,in-vitro Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1 1191838 QRWQJGRRWZMCGY-LDADJPATSA-N 375.859 5.293 50 50 GKGA N#C/C(=C\c1cccc(F)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 4020434 DXFQDCKNDYXLPU-AWNIVKPZSA-N 375.255 6.320 50 50 GKGA CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C\CC/C(C)=N/NC(N)=O 245256746 SFOCYFZQHHWIRZ-HQPWQNDLSA-N 387.612 6.336 50 50 GKGA Cc1ccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 3997461 AQVVZCSIAULVQX-MHWRWJLKSA-N 381.298 5.945 50 50 GKGA CC(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)cc1 5297045 UGXDQWQSJWWGHJ-MFKUBSTISA-N 382.467 5.117 50 50 GKGA Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccccc1Cl 4759694 VJEALEATSVNIFU-UNOMPAQXSA-N 376.843 5.510 50 50 GKGA COc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(C)c3)n2)cc1OC 100302574 ICCPIPQMKRTDKP-FOWTUZBSSA-N 377.469 5.112 50 50 GKGA Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3Cl)o2)cc1C 953066247 FQKRLBFLYZXGMH-FOWTUZBSSA-N 376.843 5.763 50 50 GKGA N#C/C(=C\Nc1cccc2ccccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 17201168 HEMZGCMDJQUVDX-GHRIWEEISA-N 398.447 5.848 50 50 GKGA Clc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 95713890 APCNUVQAZQVSLQ-UHFFFAOYSA-N 387.870 5.834 50 50 GKGA in-vitro COc1cc(/C=C(\C#N)c2ccccc2)ccc1OCc1cccc(C(=O)O)c1 4701760 IYLLKGRPQGCANM-CIAFOILYSA-N 385.419 5.037 50 50 GKGA CC(/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12)=C\c1ccccc1 27520415 INTNGDNMYQMERC-UHABJUFRSA-N 391.474 5.721 50 50 GKGA O=C(Cl)c1cc(Br)ccc1OCc1c(F)cccc1Cl 40451527 YGNWXNWKASOEQO-UHFFFAOYSA-N 378.024 5.200 50 50 GKGA CC(C)(C)[Si](C)(C)O[C@H]1CCC[C@]12C[C@@H](Sc1ccccc1)C(=O)O2 169836783 JYIYMGYGYIYDPT-UWVAXJGDSA-N 378.610 5.407 50 50 GKGA COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc(OC)c1OC 4524234 XYFWQKFBSXZYSQ-OVCLIPMQSA-N 396.443 5.039 50 50 GKGA Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3[N+](=O)[O-])n2)c(C)c1 4331986 NMBJKJYAXKAWQZ-RVDMUPIBSA-N 376.441 5.312 50 50 GKGA COc1ccc(-c2csc(/C(C#N)=C/C(C)=C/c3ccccc3)n2)cc1OC 4856159 JKBDAUDFAYSVNE-XZUNHOGQSA-N 388.492 5.838 50 50 GKGA C[C@@H]([C]1[CH][CH][CH][C]1[P@H](=O)C(C)(C)C)P(c1ccccc1)c1ccccc1 103623782 CUSHGPHEMGBHOC-SFHVURJKSA-N 381.416 5.599 50 50 GKGA CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(B(O)O)cc21 169983169 WWASBXIXSWJVJW-UHFFFAOYSA-N 378.365 5.574 50 50 GKGA in-vitro CCSC1=C(C#N)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N1 1229069 YAPVNSAZOYUOLW-IBGZPJMESA-N 395.553 5.144 50 50 GKGA CC(=O)C1=C(C)NC(SCSc2ccccc2)=C(C#N)[C@H]1c1cccs1 5020194 AUTSXRMXTOIXFG-IBGZPJMESA-N 398.578 5.516 50 50 GKGA CCCCSC1=C(C#N)[C@@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N1 20171595 KZCKONRUUDLMFJ-HXUWFJFHSA-N 396.556 5.294 50 50 GKGA CC(/C=C\c1ccccc1)=NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 252679832 RVSSFADLPULGQQ-KJIIFZOVSA-N 391.474 5.721 50 50 GKGA N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)c1ccc(Br)cc1 16275852 QKEVJZPOPOGDSZ-VBKFSLOCSA-N 393.240 5.002 50 50 GKGA CCc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 16513218 WEGLVABHSCJVEP-SXGWCWSVSA-N 385.319 6.743 50 50 GKGA CCCc1cc(C(=O)N/N=C/c2cc(Cl)ccc2OCCC(C)C)cs1 17080318 VREHLYPAADJIQT-WSDLNYQXSA-N 392.952 5.543 50 50 GKGA CC(C)[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1nc2ccccc2n1C 409412996 AMFGVCMUYZFOQQ-HNAYVOBHSA-N 391.606 5.101 50 50 GKGA N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccc([N+](=O)[O-])cc1 2848312 MLSLNNSMTANGOQ-KAMYIIQDSA-N 388.408 5.279 50 50 GKGA CCCCC[C@H]1c2ccccc2C(O)=C(C(=O)N/N=C/c2ccccc2F)[C@H]1C 5792648 IZSIJVJPMUPACO-AYLVGEDFSA-N 394.490 5.559 50 50 GKGA CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3)cs2)cc1 17079151 SBEWHQWWFLAARN-QGOAFFKASA-N 387.508 5.653 50 50 GKGA Cc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1 17081212 HWZGBGOZTKEHMG-RIYZIHGNSA-N 397.265 5.238 50 50 GKGA CCCSC1=C(C#N)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N1 17479851 IAYIXYXGGFTARK-IBGZPJMESA-N 395.553 5.226 50 50 GKGA Cn1cc(CNc2ccc(S(F)(F)(F)(F)F)cc2)c(-c2ccccc2)n1 170616000 NGIMHNRUDGKAMU-UHFFFAOYSA-N 389.393 6.357 50 50 GKGA C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](Cl)CC[C@]4(C)[C@@H]3CC[C@@]12C 257358938 XLDYIGVDJXJPCC-WYBHBDPUSA-N 395.027 6.754 50 50 GKGA Cc1ccc(-c2cc3nc(C(Cl)Cl)nc(-c4ccc(C)cc4)n3n2)cc1 1775975107 DRVIJYFXBRQGHF-UHFFFAOYSA-N 383.282 5.551 50 50 GKGA Cn1c(C(C#N)=Cc2cccc(OCc3ccccc3F)c2)nc2ccccc21 1857797409 UBDWPRMZRLKIIA-UHFFFAOYSA-N 383.426 5.356 50 50 GKGA COc1cc(Br)cc(/C=C(/C#N)c2ccc(Cl)cc2)c1OC 16319927 DRDKYUQCXBPEJN-QPEQYQDCSA-N 378.653 5.184 50 50 GKGA Cc1cc(C)cc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2C)c1 1189569 CBMKLISSNFTSGM-DEDYPNTBSA-N 387.458 5.396 50 50 GKGA N#C/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1cccc(F)c1 2873693 LJIFTACTDFWUAU-UNOMPAQXSA-N 397.409 5.801 50 50 GKGA N#C/C(=C/c1ccccc1OCc1ccccc1Cl)c1ccc(C(=O)O)cc1 2887730 UDCBOTXFYZJNRW-MOSHPQCFSA-N 389.838 5.681 50 50 GKGA O=C1c2ccccc2[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1CCCl 334163531 VZHVKADJQAIVEF-QHCPKHFHSA-N 386.882 5.619 50 50 GKGA c1ccc(CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 100018373 YEWDWCMFWXAKLL-UHFFFAOYSA-N 381.479 5.613 50 50 GKGA N#C/C(=C\c1cccc2ccccc12)c1nc(-c2ccc3c(c2)OCO3)cs1 5008819 JMBBYTKPEKPNOI-VCHYOVAHSA-N 382.444 5.756 50 50 GKGA O=C(Cl)c1cc(-c2ccc(Br)cc2)nc2c(Cl)cccc12 6335039 AKHRBXDHFXQPGM-UHFFFAOYSA-N 381.056 5.697 50 50 GKGA CCC/C(=N\NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 17078384 CSTRWYALLQDUIT-OQKWZONESA-N 383.706 5.510 50 50 GKGA CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2[C@@H]([C@H]3[C@@H](C1)C3(Cl)Cl)C2(Cl)Cl 257347061 QEKNNVGSMWNWRH-NMZKHRHQSA-N 390.254 6.010 50 50 GKGA CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(Br)cc1O 12363001 BBVYEVZXTIABCR-QPEQYQDCSA-N 378.653 5.271 50 50 GKGA Clc1c(Cl)c(C(Cl)Cl)c(Cl)c(Cl)c1C(Cl)Cl 2169888 ZKNMSFSDCQDMAU-UHFFFAOYSA-N 381.728 7.253 50 50 GKGA biogenic N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1nc2ccccc2[nH]1 4978920 WWZFGYPVXLVMGT-QGOAFFKASA-N 396.406 5.114 50 50 GKGA N#C/C(=C/c1cn(Cc2ccccc2F)c2ccccc12)c1ccc([N+](=O)[O-])cc1 15799429 HQBUIUUSJHZARX-UYRXBGFRSA-N 397.409 5.801 50 50 GKGA N#C/C(=C/c1cn(Cc2ccccc2C#N)c2ccccc12)c1ccc(Cl)cc1 2849061 PGAKPYYDESQCNC-BKUYFWCQSA-N 393.877 6.279 50 50 GKGA c1ccc(COC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 100858581 IJUHRUYUDWBVBI-UHFFFAOYSA-N 383.451 5.155 50 50 GKGA CC(C)=CC[C@@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccccc1 169831303 KFRVADJSFRYHLW-QUCCMNQESA-N 396.669 5.843 50 50 GKGA O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1cccc2ccccc12 941052 GJLJAQVKILZFKN-OVVQPSECSA-N 391.474 5.488 50 50 GKGA COc1cccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c1 4021009 RFYTXOSKZGMPAA-OQLLNIDSSA-N 397.297 5.645 50 50 GKGA N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1nc2ccccc2[nH]1 4149617 APFPNZUYGYATPB-ZRDIBKRKSA-N 380.234 6.194 50 50 GKGA Cc1ccc(-c2cc(C(=O)N/N=C/c3sccc3C)c3ccccc3n2)cc1 5683860 FLEUKIPLKNDHPH-ZVHZXABRSA-N 385.492 5.344 50 50 GKGA O=C(N/N=C/c1cccc(Br)c1)c1sc2ccccc2c1Cl 2068831 ZTJJTOVCEWCMKJ-DJKKODMXSA-N 393.693 5.081 50 50 GKGA COC1CCC(N(C)Cc2cnc([C@@H](C)O[Si](C)(C)C(C)(C)C)s2)CC1 242191358 XEYHVNNEHQXFKT-KLAILNCOSA-N 398.689 5.615 50 50 GKGA C=C(C)C(=O)O[C@]1(C#CC(C)(C)OOC(C)(C)CC)C[C@H]2C[C@H]1[C@@H](C)C2(C)C 252693843 GAFQCQFVIRUOEG-FLFXDLLNSA-N 390.564 5.465 50 50 GKGA biogenic Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)c2nc3ccccc3s2)o1 4557962 OCJSBYMKWMAMMN-GXDHUFHOSA-N 387.420 5.837 50 50 GKGA CCCCC[C@@H](Br)C(=O)c1ccc(-c2ccc(CCC)cc2)cc1 65335461 GQJZIJQYSMHJPH-OAQYLSRUSA-N 387.361 6.833 50 50 GKGA CCCCCCCCCCCCCCCC(=O)N/N=C/C=C/c1ccccc1 102290296 ZPPYZOLMFFUHCU-YQUCNLMKSA-N 384.608 7.283 50 50 GKGA N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1cccc2ncccc12 943069 RTNNRXDXOBKMKE-FYWRMAATSA-N 399.837 5.694 50 50 GKGA ClCCN(CCCl)C(c1ccccc1)(c1ccccc1)c1ccccc1 97950564 CZSHLHINHXKKRU-UHFFFAOYSA-N 384.350 5.758 50 50 GKGA N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cccc2ncccc12 1220923 RINIKNCKOKAPGE-DTQAZKPQSA-N 399.837 5.694 50 50 GKGA Cc1c(F)c(F)c(NNC(=O)Nc2ccc(Cl)c(Cl)c2)c(F)c1F 2550186 IKPJDCPKMDCEQU-UHFFFAOYSA-N 382.144 5.007 50 50 GKGA CC(C)=CC[C@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccccc1 169831302 KFRVADJSFRYHLW-UYAOXDASSA-N 396.669 5.843 50 50 GKGA Cl[C@H](SS[C@@H](Cl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 100438284 SAPVRZJHCTUGIW-JCYAYHJZSA-N 397.818 6.238 50 50 GKGA CC1(C)O[C@]12[C@H]1c3c(F)c(F)c(F)c(F)c3[C@H]2[C@H]2[C@H](Cl)C=C[C@@H](Cl)[C@H]21 257346931 FXYSLPGYEHXPHE-SBUUCXSVSA-N 393.207 5.002 50 50 GKGA CCCCOc1cccc(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)c1 4982539 RZCMGQWJHKASCP-OBGWFSINSA-N 375.497 5.966 50 50 GKGA CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc4ccccc4n3C)o2)cc1 16735681 LFUDSONOIMHHOF-NBVRZTHBSA-N 397.434 5.074 50 50 GKGA COCO[C@@H]1C(=O)[C@@]2(C)C=C[C@H]1[C@H]([C@H](CO[Si](C)(C)C(C)(C)C)C(C)C)C2 169833245 XSOBTSRWHANKDM-TZDBLYRBSA-N 396.644 5.051 50 50 GKGA N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc(Cl)cc1 1194816 LJNRSDCGOLHMHR-SDNWHVSQSA-N 393.786 5.054 50 50 GKGA Cc1ccc(N(C)C(=S)SSC(=S)N(C)c2ccc(C)cc2)cc1 71766966 CMVMLDYXNZMPDT-UHFFFAOYSA-N 392.640 5.827 50 50 GKGA CC(C)c1ccc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)cc1 1827862 KLJJHYLUAJOFAY-YZSQISJMSA-N 383.495 5.458 50 50 GKGA CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)cc3)o2)c1 5059256 FZRDTSJFUGQKSG-VBKFSLOCSA-N 376.387 5.030 50 50 GKGA CCCOC(=O)c1c(NC(=O)CCl)sc(C)c1-c1ccc(CCC)cc1 2767769 XYMPMTCAHVNVAG-UHFFFAOYSA-N 393.936 5.420 50 50 GKGA CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C/CC/C(C)=N\NC(N)=O 4956508 SFOCYFZQHHWIRZ-UALDYWSESA-N 387.612 6.336 50 50 GKGA CCOc1ccc(/C(C)=N/NC(=O)CCn2c3ccccc3c3ccccc32)cc1 5568819 WNNDTIKYPZWSRS-NLRVBDNBSA-N 399.494 5.124 50 50 GKGA Cc1ccnc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c1 6795323 UZNDPMAQPRLWSG-GXDHUFHOSA-N 397.301 5.253 50 50 GKGA CCc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)s1 17078616 SWAMUEAUAYGCKY-JXMROGBWSA-N 384.810 5.528 50 50 GKGA N#CC1=C(n2cccc2)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 4751374 RASBYVAWECNCEF-GOSISDBHSA-N 384.357 5.020 50 50 GKGA O=C=Nc1ccc(C(c2ccc(N=C=O)cc2)(C(F)(F)F)C(F)(F)F)cc1 2512301 QIPLQPPNURSGKC-UHFFFAOYSA-N 386.251 5.032 50 50 GKGA in-vitro CC(C)(C)c1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1 2790446 DMERGUBDNVFLGW-YZSQISJMSA-N 386.495 5.327 50 50 GKGA Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1 5698460 PPRVCFDYIPBVID-WGOQTCKBSA-N 379.463 5.283 50 50 GKGA CCCSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1 19337783 OAFVKBLGGORCIZ-OAQYLSRUSA-N 389.524 5.164 50 50 GKGA N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1cccc2cccnc12 943061 XPCOAVYCHRMBET-DTQAZKPQSA-N 399.837 5.694 50 50 GKGA C/C(=N\NC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccccc1 4989932 UPQSDHXEHQEUPP-YZSQISJMSA-N 394.559 5.460 50 50 GKGA N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ccccc1Cl 2669573 CAVNNZXENQKOBQ-ACCUITESSA-N 383.234 5.799 50 50 GKGA C/C(=N\NC(=O)c1cc(-c2ccc(CC(C)C)cc2)n[nH]1)c1ccccc1Cl 9089238 PYVYEKAPQAZTLK-BUVRLJJBSA-N 394.906 5.083 50 50 GKGA O=C(Cl)c1cc(Br)ccc1OCc1ccc(F)cc1Cl 40451489 ZILLAFWWGOGTHV-UHFFFAOYSA-N 378.024 5.200 50 50 GKGA O=C(Cl)Oc1ccc(C2(c3ccc(OC(=O)Cl)cc3)CCCCC2)cc1 100652410 JBBVUMYPDFKNDK-UHFFFAOYSA-N 393.266 6.412 50 50 GKGA N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1ccc(C(=O)O)cc1 4820906 WQXDJCZMCPCNOA-LFIBNONCSA-N 394.224 5.471 50 50 GKGA COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-c2ccccc2)cc1 1959283 IGKNGGYVNFAQNB-YZSQISJMSA-N 380.447 5.279 50 50 GKGA N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1ccc(Cl)cc1 1195205 UFWKZPCTZZXSCX-ACCUITESSA-N 393.786 5.054 50 50 GKGA CC/C(=N\NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1)c1ccc(CC)cc1 5351378 KUWXRIOYTRWAQC-XTCLZLMSSA-N 396.494 5.336 50 50 GKGA Cc1cc(C)c(P(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1 59681405 IDXDWPWXHTXJMZ-UHFFFAOYSA-N 388.535 6.221 50 50 GKGA CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CC/C(C)=N\NC(N)=O 4956512 SFOCYFZQHHWIRZ-QYSTYFAESA-N 387.612 6.336 50 50 GKGA Cc1cc2nc(/C(C#N)=C\c3c[nH]c4ccc(Br)cc34)[nH]c2cc1C 4811209 SDSVZBGVCNKBBD-QPEQYQDCSA-N 391.272 5.488 50 50 GKGA C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1 2898218 QKMZXIBVJQDGNB-DTVDJLOLSA-N 394.858 5.050 50 50 GKGA CCCN(CCC)c1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc1 17079993 JGCJHBTVBUEIFY-CAPFRKAQSA-N 391.515 5.176 50 50 GKGA O=C(N/N=C/c1ccccc1Br)c1sc2ccccc2c1Cl 3012052 RQCWWRIEVRBZQM-DJKKODMXSA-N 393.693 5.081 50 50 GKGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(F)cc3)c3ccccc3n2)c(C)c1 2089674 WKFDCGWABSVKRD-JFLMPSFJSA-N 397.453 5.422 50 50 GKGA C/C(=N\NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1)c1ccc(C)cc1 5354276 YQNOUPWJVOGAEC-NLRVBDNBSA-N 394.478 5.206 50 50 GKGA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@H](Cl)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 253500047 VEIABLNKNSOQQY-AYNVCCPXSA-N 392.967 5.303 50 50 GKGA biogenic CCOc1ccccc1/C=C(\C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1 5008805 WQFWNOXNRSPPJM-GZTJUZNOSA-N 392.480 5.290 50 50 GKGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc2ccccc12 752433 SDOFUWGGNPWURO-HOYKHHGWSA-N 392.458 5.048 50 50 GKGA C=C(CCOCOC)[C@]1(O[Si](C)(C)C(C)(C)C)C[C@@]2(C)CC[C@H]1C(=O)C2 169832046 NKQHQJQECJTQGI-DZFGPLHGSA-N 382.617 5.093 50 50 GKGA N#C/C(=C\c1ccc([N+](=O)[O-])o1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 4020463 RUPIZXYOTZYOQH-LDADJPATSA-N 399.431 6.042 50 50 GKGA Cc1c(Cl)ccc2c(C(=O)Cl)cc(-c3cccc(OCC(C)C)c3)nc12 6254507 SOGDIYYKGXGILL-UHFFFAOYSA-N 388.294 6.277 50 50 GKGA O=P(O[C@@H](c1ccc(F)cc1)C(F)(F)F)(c1ccccc1)c1ccccc1 2473154 CROLSFSRTGJEEP-IBGZPJMESA-N 394.304 5.375 50 50 GKGA CC(C)(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)cc1 5125834 AKCLURHYXXLUBE-WGOQTCKBSA-N 396.494 5.291 50 50 GKGA C/C(=N\NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(C)cc1 5753288 BIWFJDXHDKTAGR-TURZUDJPSA-N 393.490 5.673 50 50 GKGA Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(Br)cc3)n2)c(C)c1 3997716 GDWSIBRGIDFWDX-MHWRWJLKSA-N 395.325 6.254 50 50 GKGA C[Si](C)(CC[C@@H]1CC[C@H]2O[C@H]2C1)O[Si](C)(C)CC[C@@H]1CC[C@@H]2O[C@@H]2C1 250860222 UQOXIKVRXYCUMT-KYRVCDIISA-N 382.693 5.328 50 50 GKGA in-vitro CCCC/C(=N\NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccccc1 15636362 BIDRUTJBAYJPOF-HELSZXIZSA-N 396.534 5.703 50 50 GKGA O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1cccc(Cl)c1 2513479 QZIAMFXEBDBOCU-ZMOGYAJESA-N 399.277 5.336 50 50 GKGA CC1(C)C(C(=O)c2cn(CCCCCBr)c3ccccc23)C1(C)C 95705044 HEWSXAZQMCDEMO-UHFFFAOYSA-N 390.365 6.071 50 50 GKGA in-vitro CC(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 2227783 JLPQWPFGPMGNEP-WPWMEQJKSA-N 393.490 5.789 50 50 GKGA C[C@@H](Sc1ccc(Cl)cc1)C(=O)NN=C(c1ccccc1)c1ccccc1 5722765 CQFDWUITFVSAEW-MRXNPFEDSA-N 394.927 5.389 50 50 GKGA N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1nc2ccccc2s1 32653806 XDOQOCNKQWIKEV-BENRWUELSA-N 397.286 6.927 50 50 GKGA COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)cc1 1190212 QRIDPMPTAHWCGL-XMHGGMMESA-N 377.488 5.164 50 50 GKGA O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2cccs2)nc2ccccc12 3110214 PJVQUNGEKQYDCO-AFUMVMLFSA-N 396.475 5.209 50 50 GKGA Cc1c(Cl)ccc2c(C(=O)Cl)cc(-c3cc(Cl)ccc3Cl)nc12 6254488 ANHBKJMQVHQUIR-UHFFFAOYSA-N 385.077 6.549 50 50 GKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccccc1 53296655 UURXMXQBILMTIB-WNAAXNPUSA-N 386.624 7.398 50 50 GKGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 4210171 RVSZWOCRIGDUJF-FSJBWODESA-N 386.282 5.165 50 50 GKGA CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccco3)cs2)cc1OC 4538968 BDKWOCKLPQBCCE-LFIBNONCSA-N 380.469 5.655 50 50 GKGA Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2)c1C 4710614 AUWUMWRZNRGJEX-UNOMPAQXSA-N 389.886 5.602 50 50 GKGA FS(F)(F)(F)(F)c1ccc2[nH]c(-c3cccc(Br)c3)nc2c1 103860919 SSVFWVJLKHCVQG-UHFFFAOYSA-N 399.182 6.650 50 50 GKGA C=C(C)C(=O)O[C@@]1(C#CC(C)(C)OOC(C)(C)CC)C[C@H]2CC[C@@]1(C)C2(C)C 229698243 LSQKTLIPGPORGO-DKLXNKCPSA-N 390.564 5.610 50 50 GKGA N#C/C(=C\C=C\c1ccco1)c1nc(-c2ccc(Br)cc2)cs1 2862074 RVXLUBNVRVOQCQ-ITPRVWRUSA-N 383.270 5.786 50 50 GKGA Cc1c(CBr)c(C)c(CBr)c(C)c1CBr 2557091 BHIFXIATEXVOQA-UHFFFAOYSA-N 398.964 5.297 50 50 GKGA in-vitro COc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 4843818 TULUIKMPSMZBGH-RIYZIHGNSA-N 387.291 6.190 50 50 GKGA N#C/C(=C/c1ccc(-c2ccccc2C#N)o1)c1ccc(Br)cc1 2879515 PTOIXRBSKMMBPF-WJDWOHSUSA-N 375.225 5.645 50 50 GKGA COC1CCC(N(C)Cc2cnc([C@H](C)O[Si](C)(C)C(C)(C)C)s2)CC1 242191357 XEYHVNNEHQXFKT-GTPINHCMSA-N 398.689 5.615 50 50 GKGA CN1/C(=C\C=C(/C#N)C(=O)Nc2cccc3ccccc23)C(C)(C)c2ccccc21 17994816 NDNSNAXGBUDDFN-FYRADKBESA-N 393.490 5.540 50 50 GKGA CCCCCCCCCCCCCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 100647696 PEZNXZJEZYWNQC-RELWKKBWSA-N 375.513 5.746 50 50 GKGA Cc1ccc([C@@H]2C(C#N)=C(SCc3ccccc3)NC3=C2C(=O)CCC3)cc1 1144461 KDKPIUYQYKQFPY-JOCHJYFZSA-N 386.520 5.358 50 50 GKGA CCOc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)c(OCC)c1 22343308 IQRHGAKLITZYIT-PDGQHHTCSA-N 376.481 5.672 50 50 GKGA CC1=C(C#N)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)C2=C(CC(C)(C)CC2=O)N1 628554 JQFMLDPXKIMQRF-OAQYLSRUSA-N 392.886 5.728 50 50 GKGA CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2ccc(Cl)cc2)cc1OC 12364195 XZLOPKRPJRZLFQ-LWLPBDFMSA-N 376.283 6.243 50 50 GKGA C/C(=N\NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1)c1ccc(Cl)cc1 12689700 QHRHLXDYZHJHLH-ZVHZXABRSA-N 388.858 5.037 50 50 GKGA Cc1ccc(NC=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1Cl 2049286338 ZVMVAAHFNKRHEC-UHFFFAOYSA-N 395.871 5.477 50 50 GKGA Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2C)c1 15012320 XCDNRLHPGDNKGZ-HMAPJEAMSA-N 383.495 5.565 50 50 GKGA N#C/C(=C\c1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2ccco2)cs1 4539911 LFWPSMBRUNEOJU-GZTJUZNOSA-N 395.443 6.275 50 50 GKGA C[Si](C)(C)C1([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1 169829297 QALDZDGEECLFLN-UHFFFAOYSA-N 375.548 5.391 50 50 GKGA C/C(=N\NC(=O)c1csc2ccccc12)c1cccc(NC(=O)C(C)(C)C)c1 4646320 SATCCSNULFFWHA-ZVHZXABRSA-N 393.512 5.040 50 50 GKGA CC(C)(C)[Si](C)(C)OCc1cccc(CO[Si](C)(C)C(C)(C)C)c1N 224154957 YWHWAPAZSNXWNW-UHFFFAOYSA-N 381.709 6.312 50 50 GKGA CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]3C[C@@H](Cl)[C@H]2C(C)=O)C1 257358575 VEIABLNKNSOQQY-TYTCJDMUSA-N 392.967 5.303 50 50 GKGA N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(C(=O)O)cc1 4820762 NUGKNBLOBAGAPK-ZROIWOOFSA-N 394.770 5.271 50 50 GKGA C#CCOc1c(CC=C)cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1OCC 4739793 NFHOOOIQFLTSLH-ZHZULCJRSA-N 397.478 5.075 50 50 GKGA Cc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(Br)c3)n2)cc1 17051809 VSAJTTIUBROQKA-RVDMUPIBSA-N 396.313 5.858 50 50 GKGA Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2C)cc1C 1189521 INOWMUUAPHCBCM-DEDYPNTBSA-N 387.458 5.396 50 50 GKGA CC(C)c1cc(/C=C(\C#N)C(=O)NCCCc2ccccc2)cc(C(C)C)c1O 2507485 JANPYFTYAGTSIN-FYJGNVAPSA-N 390.527 5.295 50 50 GKGA in-vitro C=CCSC1=C(C#N)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N1 4150136 UQZJNTIDSBGIKO-IBGZPJMESA-N 393.537 5.002 50 50 GKGA C[C@]12CCC[C@@H]1[C@H]1CC=C3C[C@@H](OC(=O)CBr)CC[C@]3(C)[C@@H]1CC2 254611241 VJRJIJYWEUTVEU-IJJWSBNOSA-N 395.381 5.646 50 50 GKGA CCCCSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)CC(=O)N1 9089072 WSTJDYGVNDGDQB-FQEVSTJZSA-N 392.524 5.138 50 50 GKGA N#CC1=C(SCc2cccc3ccccc23)NC(=O)C[C@H]1c1ccc(F)cc1 9014827 ONAGODJJEXHVDU-FQEVSTJZSA-N 388.467 5.251 50 50 GKGA CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 4006047 CNDLMANPSDSIFB-QGOAFFKASA-N 394.927 6.707 50 50 GKGA CCCCCCCCCCCCCC[C@@H](Br)C(=O)c1ccccc1 101014091 KFUMLDZCBFQWJP-OAQYLSRUSA-N 395.425 7.724 50 50 GKGA N#C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2cc(C(F)(F)F)ccc2s1 96585360 QKLQGLAJVLUCPN-XFFZJAGNSA-N 375.331 5.287 50 50 GKGA C/C(=N\NC(=O)c1c(-c2ccccc2)noc1C)c1cc(Cl)sc1Cl 5697047 VYJCZFIOGXCDMJ-AWQFTUOYSA-N 394.283 5.172 50 50 GKGA CCC(=NNC(=O)[C@@H](CC)Sc1nc2ccccc2s1)c1ccccc1 245239233 GSRKZWPPKBOZEB-QGZVFWFLSA-N 383.542 5.098 50 50 GKGA CC1=C(C#N)[C@H](c2cc(-c3ccc(C)cc3)cs2)C2=C(CC(C)(C)CC2=O)N1 25694747 WFYQWGWKZGBWDM-JOCHJYFZSA-N 388.536 5.851 50 50 GKGA CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC 59190947 YIVJZNGAASQVEM-UHFFFAOYSA-N 398.628 7.830 50 50 GKGA in-vitro N#C/C(=C\c1ccc(-c2ccccc2)o1)c1nc2cc(Br)cnc2[nH]1 334163525 VUAZKHQUCKSSTH-MDWZMJQESA-N 391.228 5.045 50 50 GKGA N#C/C(=C/c1ccc(Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 212592767 FOYAVMHONJCTDR-WQLSENKSSA-N 395.178 5.014 50 50 GKGA CCCC/C(=N/NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(OCCC)cc1 17078645 AHZZSEIPXDLIJA-PSRBBBRCSA-N 385.335 5.070 50 50 GKGA C[C@@H](O[Si](C)(C)C(C)(C)C)c1ncc(CNC[C@H](O)c2ccccc2)s1 225660570 DVJZDTPLEUPPDF-QAPCUYQASA-N 392.641 5.049 50 50 GKGA C[C@@H]1C[C@@]23CC=CC[C@@H](CCC2=CC(=O)C1(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C 169830970 LETSATSVHZASIY-FSENYNONSA-N 388.668 6.685 50 50 GKGA N#C/C(=C\c1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 5008885 SXHHVMOIGIQMHS-WUXMJOGZSA-N 391.710 6.834 50 50 GKGA CC(C)c1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 12382912 NWPRBJVFIDSFDI-CXUHLZMHSA-N 399.346 7.304 50 50 GKGA CC1=C(C#N)[C@H](c2cc(-c3ccc(F)cc3)cs2)C2=C(CC(C)(C)CC2=O)N1 25694711 XQLVELLDDRRMTI-OAQYLSRUSA-N 392.499 5.682 50 50 GKGA O=C(N/N=C/c1cccc(Cl)c1)c1ccccc1OCc1ccc(Cl)cc1 4360650 QYRRZQKONICAPW-ZMOGYAJESA-N 399.277 5.336 50 50 GKGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(F)cc3)c3ccccc3n2)cc1 5753301 VOIFXSLYLMACNG-CVKSISIWSA-N 383.426 5.113 50 50 GKGA Cc1ccc2[nH]c(/C(C#N)=C\c3c[nH]c4ccc(Br)cc34)nc2c1 5028045 SZXMQJVDQNXDNT-GHXNOFRVSA-N 377.245 5.179 50 50 GKGA C/C(=N\NC(=O)C1c2ccccc2Oc2ccccc21)c1cc2ccccc2o1 5516913 DXSATTKZZWAYCW-MFKUBSTISA-N 382.419 5.211 50 50 GKGA CC[C@H](Sc1nc2ccccc2s1)C(=O)NN=C(C)/C=C/c1ccccc1 245239864 MTRYHVBRSOHNQA-GNZYDWDISA-N 395.553 5.373 50 50 GKGA CCC(=NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 253394035 RFCARSAMNZTYMX-UHFFFAOYSA-N 379.463 5.446 50 50 GKGA CCCCCCCCCCCCCCCC(=O)N/N=C/c1c[nH]c2ccccc12 102316022 IYLSLFLLKZBIQF-SZXQPVLSSA-N 397.607 7.099 50 50 GKGA N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)N1CCCCC1 1221175 RMBKOPJGQHIIOV-GXDHUFHOSA-N 375.255 5.173 50 50 GKGA CCCCCCCCCCCCCC[C@H](Br)C(=O)c1ccccc1 101014090 KFUMLDZCBFQWJP-NRFANRHFSA-N 395.425 7.724 50 50 GKGA N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1ccccc1 1188690 ZKDOOXHGNBOPFA-XMHGGMMESA-N 395.437 5.374 50 50 GKGA Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C 1195824 PDIZGZAHPIWAIH-CPNJWEJPSA-N 389.886 5.602 50 50 GKGA Cn1nc(-c2ccccc2)c(CCl)c1Sc1ccc(Br)cc1 2243940 DXRARBIEUPJWKK-UHFFFAOYSA-N 393.737 5.740 50 50 GKGA C[C@H](Nc1cccc2ccccc12)C(=O)N/N=C/c1ccc(Cl)cc1Cl 2926774 OUNHSWYPAUQNKY-ZXCVBSDHSA-N 386.282 5.097 50 50 GKGA Cc1cc(C)cc(C(O[Si](C)(C)C)(c2cc(C)cc(C)c2)[C@H]2CCCN2)c1 170026418 JQCAWHIRAPRAPR-HSZRJFAPSA-N 381.636 5.767 50 50 GKGA COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)cc(Cl)c2Cl)cc1 4722950 MUQIQENMIQBCRH-WDZFZDKYSA-N 381.646 5.201 50 50 GKGA COc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1OCc1ccccc1 16319964 ZQFBNMFKHHJPCH-MOSHPQCFSA-N 375.855 5.992 50 50 GKGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1sc2ccccc2c1Cl 1090801 PBENNUZIOXHXQB-SSDVNMTOSA-N 380.856 5.177 50 50 GKGA COc1cccc(-c2cc(C(=O)Cl)c3cc(Br)ccc3n2)c1 6248593 WKIYLPODYAJLFB-UHFFFAOYSA-N 376.637 5.052 50 50 GKGA CCOC(=O)Nc1ccccc1SSc1ccccc1NC(=O)OCC 2141682 CRMCWJULKKHYSJ-UHFFFAOYSA-N 392.502 5.623 50 50 GKGA CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc([N+](=O)[O-])cc3)n2)cc1 4329489 MYASPDLICMVAON-NTCAYCPXSA-N 392.440 5.094 50 50 GKGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1csc2c1CC[C@H](C(C)(C)C)C2 655396 ZMYCYBCGZGJTJX-ZWGXDWAISA-N 393.556 5.453 50 50 GKGA Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N/N=C/c5cccs5)(C4)C2)C3)cc1 100648720 JJIONWMUAWUMNI-LSDNQJEYSA-N 378.541 5.045 50 50 GKGA N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(Cl)cc1 756481 XXUVVLCIKCJTEM-SDNWHVSQSA-N 393.786 5.054 50 50 GKGA Cc1ccc(/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)s1 4071219 HTTGYAMMQNMQRD-JYRVWZFOSA-N 387.327 6.007 50 50 GKGA CC(C)C[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1nc2ccccc2[nH]1 217689493 XRDXMZAROCJAHL-QAPCUYQASA-N 391.606 5.480 50 50 GKGA biogenic COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 1189641 ZDIFDXDYHANINF-KGENOOAVSA-N 399.494 5.265 50 50 GKGA COc1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 100810743 QEHNPDUTCUWDKR-UHFFFAOYSA-N 383.431 5.504 50 50 GKGA CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C(=O)C[C@@]3(C)O)C(C=O)=CC[C@@H]12 2332918240 PLWMYIADTRHIMY-GGHBYBEPSA-N 386.576 5.277 50 50 GKGA CC(=O)C1=C(C)NC(SCSc2ccccc2)=C(C#N)[C@@H]1c1ccco1 22034493 AFCYZTXYLMWFJN-LJQANCHMSA-N 382.510 5.048 50 50 GKGA FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(Br)cc3)nc2c1 103861047 SRPJPBHUYXDYAO-UHFFFAOYSA-N 399.182 6.650 50 50 GKGA CC1=C(O[Si](C)(C)C)C=C[C@@H]([C@H](CO[Si](C)(C)C(C)(C)C)C(C)C)C1 169833231 MPHFIACFTOJSII-RTBURBONSA-N 382.737 6.982 50 50 GKGA CC(C)Oc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1Br 4997653 GCLNLFXNEDEKPX-ZROIWOOFSA-N 382.261 5.177 50 50 GKGA CCN(CC)c1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(OC(C)C)c1 13130753 CHSZSBKIAWWNAY-UYRXBGFRSA-N 388.515 5.569 50 50 GKGA N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1 2846942 BDHAJIJIYJPKJX-UYRXBGFRSA-N 390.826 5.891 50 50 GKGA Cc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c(C)n1-c1ccc([N+](=O)[O-])cc1 2849034 PESNKYFLGOOWBE-LDADJPATSA-N 377.831 5.720 50 50 GKGA N#C/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1ccc(F)cc1 5050468 MHZMBMVANQWBRE-UYRXBGFRSA-N 397.409 5.801 50 50 GKGA C[Si](C)(C)CCOC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 170155023 JLIYSVNQZBDVAP-UHFFFAOYSA-N 393.563 5.293 50 50 GKGA in-vitro N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Cl)cc1Cl 5063898 JCCDTUAXBWCAEG-UKTHLTGXSA-N 385.206 6.226 50 50 GKGA CC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(CC(C)(C)CC2=O)N1 632359 WUWUJEIIHGYCCU-DEOSSOPVSA-N 398.506 5.393 50 50 GKGA Cc1ccc(/C(C#N)=C\c2ccccc2Oc2ccc(Cl)cc2Cl)cc1 6922744 WUGIVHSWHNEUDJ-PDGQHHTCSA-N 380.274 7.158 50 50 GKGA Cc1ccc(COc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2)cc1 4347233 PWCAZYBVRREZKD-WPWMEQJKSA-N 394.474 5.491 50 50 GKGA CC(C)=CCC[C@H](C)[C@H]1CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)C(C=O)=CC[C@@H]12 38496341 PLWMYIADTRHIMY-WKICABRMSA-N 386.576 5.277 50 50 GKGA biogenic,in-vitro C=C1C[C@@H]2[C@H](C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C2(C)C 169838078 GREDLYAZTYXYPM-TZRRMPRUSA-N 390.643 5.554 50 50 GKGA CCn1c2ccccc2c2cc(/C=C(\C#N)S(=O)(=O)c3ccccc3)ccc21 2854611 OJDWVRRHPZTKIO-XMHGGMMESA-N 386.476 5.153 50 50 GKGA CC1=C(C#N)[C@@H](c2cccc(OCc3ccccc3)c2)C2=C(CC(C)(C)CC2=O)N1 627003 GPQKWEWSBKWYNA-XMMPIXPASA-N 398.506 5.393 50 50 GKGA CCCN(CCC)c1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1 2898168 WGPRLUSPHQRQAX-LGUFXXKBSA-N 387.527 5.159 50 50 GKGA CCCNC(=O)/C(C#N)=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 17079441 ZXILZVXYVYQGEQ-CXUHLZMHSA-N 389.282 5.006 50 50 GKGA CC(C)[C@H]1CCC(CSc2ccccc2)=C1CO[Si](C)(C)C(C)(C)C 169828840 SIMPIUWLJZUKDG-HXUWFJFHSA-N 376.682 7.163 50 50 GKGA C=C(C)C(=O)O[C@@]1(C#CC(C)(C)OOC(C)(C)CC)C[C@H]2C[C@H]1[C@@H](C)C2(C)C 252693844 GAFQCQFVIRUOEG-FVJVTNMWSA-N 390.564 5.465 50 50 GKGA biogenic O=C(Cl)c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 40451526 BCBWFQFTABESPU-UHFFFAOYSA-N 394.479 5.714 50 50 GKGA COc1ccc(C2=C(C=O)[C@@H](c3ccccc3C)c3ccccc3O2)cc1OC 1216315 BNULJCAUAVYODA-DEOSSOPVSA-N 386.447 5.147 50 50 GKGA CCCCn1cc(/C=C(C#N)/C(O)=N/c2ccccc2[N+](=O)[O-])c2ccccc21 17079279 YMFBODOOKYDOJY-DTQAZKPQSA-N 388.427 5.545 50 50 GKGA C=C1[C@H]2C[C@@](C)(C(=O)OC)C[C@H]2C[C@]2(C)CC[C@]12O[Si](C)(C)C(C)(C)C 169830596 ILTKXTOSMRAQRJ-OHJZQYHNSA-N 378.629 5.713 50 50 GKGA C1=C(C2=N[C@H](c3ccccc3)CO2)[C@H](P(c2ccccc2)c2ccccc2)CC1 1857524002 BCVFPCKWOCFXFQ-LOSJGSFVSA-N 397.458 5.378 50 50 GKGA Cc1ccc2cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c(Cl)nc2c1 5795851 TZRQLNXRUOAQPJ-LSFURLLWSA-N 392.673 5.267 50 50 GKGA C=C[C@@H]1O[C@@H](OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 169836864 XEKJNTIXHLSSLN-YLFCFFPRSA-N 388.697 5.325 50 50 GKGA CCCCCCCCCCCCCCCCCCCC[P@](=O)(F)OC 44387581 IRQAGEYFWAZZPI-RUZDIDTESA-N 378.553 8.837 50 50 GKGA in-vivo C[C@H](C[Si](C)(C)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 169807278 OUHUPLDRIGJJSW-OAQYLSRUSA-N 377.564 5.707 50 50 GKGA CC[C@H]1[C@@H]2[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]3C(=O)[C@H](C=O)C[C@@H]3[C@H]2C[C@H]1C 169830680 RGLARZROLVVNGQ-OSHATUJSSA-N 378.629 5.099 50 50 GKGA CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@](C)(CO)[C@H]3CC[C@]12C 215808454 FUNLLIJOYNVIFA-FFQNJLDPSA-N 380.645 5.181 50 50 GKGA N#C/C(=C\C=C\c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2197316 ZJDAXVJCZOJZPD-DUEVJXGLSA-N 383.303 6.737 50 50 GKGA CSc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 2229235 MDSLGDALKCZLRV-PCLIKHOPSA-N 397.503 5.388 50 50 GKGA N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)cc1 2874556 LXLZPIFVDDFQEK-PTNGSMBKSA-N 395.212 5.681 50 50 GKGA CCCCCOc1cnc(SSc2ncc(OCCCCC)cn2)nc1 5502977 YLZUNJFLBMYNPB-UHFFFAOYSA-N 394.566 5.204 50 50 GKGA C=CCCC[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@@H](C)C(CCC(=C)C)=C1C 169834714 IHJVCYKKCDPBPW-HYBUGGRVSA-N 376.701 8.206 50 50 GKGA C=CCCC[C@]1(O[Si](C)(C)C(C)(C)C)CC[C@H](C)C(CCC(=C)C)=C1C 169834721 IHJVCYKKCDPBPW-RDPSFJRHSA-N 376.701 8.206 50 50 GKGA COc1ccc(-c2csc(/C(C#N)=C\c3ccc(Br)cc3)n2)cc1 4855243 NKNSHORUTCIQTC-GDNBJRDFSA-N 397.297 5.645 50 50 GKGA CC(C)(C)OC(=O)Nc1cnc2cc(CO[Si](C)(C)C(C)(C)C)oc2c1 169794226 TXWQHLHPCRNXFF-UHFFFAOYSA-N 378.545 5.697 50 50 GKGA in-vitro CC(C)c1ccc(/C=N/NC(=O)c2cccc(N3Cc4ccccc4C3)c2)cc1 2892622 YTWFCXWKILPMDV-CVKSISIWSA-N 383.495 5.094 50 50 GKGA Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(Cl)cc3Cl)n2)c(C)c1 4010465 CVHLJHCNGPTXTI-OVCLIPMQSA-N 385.319 6.798 50 50 GKGA CCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(C)cc2)cc1 102307266 VTPNFJVOJLWEFZ-XIEYBQDHSA-N 394.515 5.415 50 50 GKGA C[Si](C)(C)O[Si](C)(C)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 169816918 VDVKKPZBPGECOU-UHFFFAOYSA-N 396.677 6.217 50 50 GKGA CC(=O)C1=C(C)NC(SCSc2ccccc2)=C(C#N)[C@@H]1c1cccs1 5020197 AUTSXRMXTOIXFG-LJQANCHMSA-N 398.578 5.516 50 50 GKGA CCCCOc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1 5615081 DSUHTCKUORFPKR-LPYMAVHISA-N 386.904 5.498 50 50 GKGA CC(/C=C/c1ccccc1)=N\NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 4950290 LRMAWKPGXNFKNT-ZWZLLFPBSA-N 380.491 5.198 50 50 GKGA COC(=O)C1=C(C)CCC[C@@]1(C)CCC1=CCC[C@@H]1O[Si](C)(C)C(C)(C)C 169829890 IDQQECRJGBNFGJ-CVDCTZTESA-N 392.656 6.557 50 50 GKGA COc1ccc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 13027749 DYOKRHCVSMHSKZ-PXLXIMEGSA-N 394.499 6.550 50 50 GKGA O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C/c1cccc2ccccc12 1469458 HSJQAUJVHCASDA-OVVQPSECSA-N 395.506 5.214 50 50 GKGA N#C/C(=C\c1ccc(O)c(O)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 5008897 ZZWVBNJHUBQWCQ-VZUCSPMQSA-N 389.263 5.592 50 50 GKGA CCCCCCCCCCCCCC(=O)N/N=C/c1cc(OC)ccc1O 102290230 IKSGDNPSKAOADL-PTGBLXJZSA-N 376.541 5.552 50 50 GKGA C[C@@]12CCC[C@@H]1[C@H]1CC=C3C[C@H](OC(=O)CBr)CC[C@]3(C)[C@@H]1CC2 254611242 VJRJIJYWEUTVEU-TWYNJABESA-N 395.381 5.646 50 50 GKGA CC(=O)Nc1sc(/C(C#N)=C/c2sccc2C)nc1-c1ccc(C)cc1 4833759 HSKDWJZTLDZWRH-MHWRWJLKSA-N 379.510 5.511 50 50 GKGA Cc1ccc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)nc2c1 4739786 RLZABVZPMZONHV-ZDLGFXPLSA-N 396.450 5.072 50 50 GKGA Cc1ccc(Cn2cc(/C=C(/C#N)c3nc4ccccc4[nH]3)c3ccccc32)cc1 5042176 WISYUZUETJBECJ-ZHZULCJRSA-N 388.474 5.939 50 50 GKGA CCOc1cccc(-c2cc(C(=O)Cl)c3cc(Br)ccc3n2)c1 6048433 UPILLIVDCMEAHE-UHFFFAOYSA-N 390.664 5.442 50 50 GKGA N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1nc2ccccc2[nH]1 3998142 IRYOEHQLCPHPCU-FMIVXFBMSA-N 380.234 6.194 50 50 GKGA CC(C)(C)c1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1O 12363428 VIVZNFLVLKUPNY-BOPFTXTBSA-N 378.472 5.960 50 50 GKGA COc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCCC(C)C 4473540 NSYRFMDFIKXJNI-LDADJPATSA-N 375.472 5.369 50 50 GKGA N#C/C(=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12)c1cccc(F)c1 2876579 PBKPWHIAGCUYPC-UYRXBGFRSA-N 395.437 5.483 50 50 GKGA COc1ccc2c(Cl)c(C(=O)N/N=C/c3cccc4ccccc34)sc2c1 5676265 XXNJMGNIZSTZGV-FSJBWODESA-N 394.883 5.480 50 50 GKGA O=C(N/N=C/c1cc2ccccc2cc1O)c1sc2ccccc2c1Cl 725512 MSGUZNKXJMPJKJ-SSDVNMTOSA-N 380.856 5.177 50 50 GKGA Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c1 4723655 GFPGNTHLBXEBKY-WJDWOHSUSA-N 387.395 5.017 50 50 GKGA C/C(=N\NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1)c1ccc(F)cc1 5354321 OORGOBFAPZFUCO-WGOQTCKBSA-N 398.441 5.037 50 50 GKGA COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)c2ccc(Cl)cc2)o1 16319931 BPTLLEFFUSNIQM-UVTDQMKNSA-N 380.787 5.581 50 50 GKGA CC/C(=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(O)cc1 71776064 NOBUKXAGIWQAMU-HPNDGRJYSA-N 395.462 5.152 50 50 GKGA CC1=C(C#N)[C@@H](c2ccccc2OC(C)C)C2=C(C[C@H](c3ccccc3)CC2=O)N1 19770374 CERIFGDJDRSVNA-UQBPGWFLSA-N 398.506 5.359 50 50 GKGA N#C/C(=C/C=C/c1ccccc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 13615828 RVCIGHSIYYNVHY-OBJYXWAWSA-N 390.511 7.097 50 50 GKGA N#C/C(=C/c1ccccc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)ccc2s1 33667623 FBCRQCJBNPZHMB-XFFZJAGNSA-N 375.331 5.287 50 50 GKGA C=C[C@@]12CC[C@@H](C[C@]1(O)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)CCC1)C2(C)C 257356023 FHDSLSJYUUVTNU-ZZTDLJEGSA-N 376.657 6.231 50 50 GKGA Cc1ccc([C@H]2C(C#N)=C(SCc3ccccc3)NC3=C2C(=O)CCC3)cc1 1144459 KDKPIUYQYKQFPY-QFIPXVFZSA-N 386.520 5.358 50 50 GKGA N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)c1cccc(Br)c1 4756111 VMRBATIHDRFQQZ-VBKFSLOCSA-N 393.240 5.002 50 50 GKGA CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCCCl)c1ccccc1CC2 22340974 NTDCXYYRNZJFIE-UHFFFAOYSA-N 386.879 5.037 50 50 GKGA CCCCCCCCCCCCCC(=O)N/N=C/c1ccc(O)c(OC)c1 102289019 TVKDIAIYXFGLLD-PTGBLXJZSA-N 376.541 5.552 50 50 GKGA N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1cccc(C#N)c1 2882954 HSQNSRBETHLJOT-CPNJWEJPSA-N 378.460 5.537 50 50 GKGA O=C(CCCCl)Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 2567127 MBPREUYVDYBMEL-UHFFFAOYSA-N 393.192 5.504 50 50 GKGA O=C1c2ccccc2CC[C@]1(Br)[C@@H](Br)c1ccccc1 1744908 IXNZDXYMRGOCOZ-RDJZCZTQSA-N 394.106 5.085 50 50 GKGA O=C(N/N=C/c1ccsc1)c1sc2cc(Br)ccc2c1Cl 2782974 LKSCJFZJLLFHPQ-UBKPWBPPSA-N 399.722 5.143 50 50 GKGA C/C(=N\NC(=O)CCn1c2c(c3ccccc31)CCCC2)c1ccc(Cl)cc1 33340696 AJPRZQYILJOQGP-PCLIKHOPSA-N 393.918 5.104 50 50 GKGA N#C/C(=C\c1ccccc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 4071217 HRUAGGWJTDMWMP-KGENOOAVSA-N 398.918 7.195 50 50 GKGA CCCCCCCCCN1C=C/C(=C\C=C(/C#N)C(=O)OC)c2ccccc21 100522530 RHUOXUYNNCGFKA-OZNQKUEASA-N 378.516 5.777 50 50 GKGA CS[C@H]1CC[C@@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1 170594549 SMBLUNKIXCLZLV-MNOVXSKESA-N 376.416 5.750 50 50 GKGA N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc2ccccc2s1 4801916 BHMINWATBQCYAR-KAMYIIQDSA-N 396.393 6.639 50 50 GKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@@H]3CC[C@H](Cl)CC3=CC[C@@H]12 253499692 QGKAISHZHFSWHC-KYGIZPKFSA-N 377.056 7.855 50 50 GKGA Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 1190961 NVHFQZFKEFERRV-ATVHPVEESA-N 393.849 5.432 50 50 GKGA CC1(C)O[C@]12[C@H]1c3c(F)c(F)c(F)c(F)c3[C@H]2[C@H]2[C@H]1[C@H](Cl)C=C[C@@H]2Cl 257346930 FXYSLPGYEHXPHE-PZVQKHQWSA-N 393.207 5.002 50 50 GKGA O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc2ccccc2c1O 1877986 YNZBZQXQMKTSRW-ZMOGYAJESA-N 390.826 5.223 50 50 GKGA CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C/CC/C(C)=N\NC(N)=O 35400434 SFOCYFZQHHWIRZ-DHMMMAIESA-N 387.612 6.336 50 50 GKGA CC(C)(C)[Si](C)(C)O[C@@H]1CCc2c1ccc1ccc(Br)cc21 169838421 HORGSUNDNWZUJQ-GOSISDBHSA-N 377.398 6.611 50 50 GKGA N#CC1=C(n2cccc2)OC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)c(Cl)c1 4751886 XRWWGRMORYXSPA-SFHVURJKSA-N 385.250 5.308 50 50 GKGA CCc1ccc(/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 4838232 DLLLTAUPYQGFKR-BOPFTXTBSA-N 395.325 6.199 50 50 GKGA N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1cccs1 2546509 VFHYGYMWOSGKCO-DHZHZOJOSA-N 379.790 6.744 50 50 GKGA C[C@@H](Nc1cccc2ccccc12)C(=O)N/N=C/c1ccc(Cl)cc1Cl 2926777 OUNHSWYPAUQNKY-GHONEHJGSA-N 386.282 5.097 50 50 GKGA CC1(C)CC(=O)C2=C(C1)NC(S[C@@H]1C=CCCC1)=C(C#N)[C@H]2c1ccccc1 3196555 XRCIRNSHKKYZJO-DYESRHJHSA-N 390.552 5.594 50 50 GKGA N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 4809714 AHCNDRDZYDYKMQ-BKUYFWCQSA-N 381.391 5.110 50 50 GKGA N#C/C(=C/c1ccco1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 4839067 CTLPRAUTZBRCPC-GDNBJRDFSA-N 396.427 5.727 50 50 GKGA CC(/C=N/NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1)=C\c1ccccc1 12342809 BVRCMAWEUCGZMB-AXLHGZCXSA-N 380.451 5.049 50 50 GKGA Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cccc(Oc3ccccc3)c2)cc1 1967089 FOLFFQKLINFKIW-PXLXIMEGSA-N 375.449 5.126 50 50 GKGA Cc1c(Cl)ccc2c(C(=O)Cl)cc(-c3ccc(OCC(C)C)cc3)nc12 6254499 BFLXAMOKJJGBIK-UHFFFAOYSA-N 388.294 6.277 50 50 GKGA CCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(F)cc1 102290096 ZBUVCUZIQWFEHO-LKUDQCMESA-N 376.560 6.757 50 50 GKGA Cc1ccc(C(=O)c2cn(CCCCCCl)c3ccccc23)c2ccccc12 95726634 MGKPPIQCXPTZFK-UHFFFAOYSA-N 389.926 6.743 50 50 GKGA in-vitro Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Oc1ccc([N+](=O)[O-])cc1 2308306 GWJRLZBVALVHKS-UHFFFAOYSA-N 384.391 5.338 50 50 GKGA aggregator Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(Br)cc3)n2)cc1 4991032 HURATLJWBCKOPC-YBEGLDIGSA-N 381.298 5.945 50 50 GKGA CCN(CC)c1ccc(/N=N/c2cccc(S(F)(F)(F)(F)F)c2)cc1 258839963 YMGNFSFRFJXCMY-GHVJWSGMSA-N 379.398 7.606 50 50 GKGA CCOC(=O)/C(C#N)=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1OC 253388093 CJBBYIZWJIUETC-SILNSSARSA-N 398.462 5.635 50 50 GKGA COc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 4155059 AOXXFXNYKVHPIE-MDWZMJQESA-N 387.291 6.190 50 50 GKGA CC(=O)Nc1sc(/C(C#N)=C\c2cccc(Cl)c2)nc1-c1ccc(C)cc1 31875859 WUOTXVCAEYQIGW-YVLHZVERSA-N 393.899 5.795 50 50 GKGA CC#CCC[C@H]1C=CC[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169833782 GMPRIVNINBBSBM-WIOPSUGQSA-N 388.627 5.311 50 50 GKGA O=C(Nc1cccc2ccccc12)c1cn(CCCCCCl)c2ccccc12 299817296 SAZREAASVMJYTK-UHFFFAOYSA-N 390.914 6.456 50 50 GKGA in-vitro CC1=C(O[Si](C)(C)C)C=C[C@H]([C@H](CO[Si](C)(C)C(C)(C)C)C(C)C)C1 169833229 MPHFIACFTOJSII-RBUKOAKNSA-N 382.737 6.982 50 50 GKGA Cc1ccsc1/C=C(/C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 4309306 UFSLNMPNADEEAM-MOSHPQCFSA-N 384.529 6.911 50 50 GKGA CC1(C)CC(=O)C2=C(C1)OC(n1cccc1)=C(C#N)[C@H]2c1c(F)cccc1Cl 4751363 XUIYISMMAGIXFV-SFHVURJKSA-N 396.849 5.430 50 50 GKGA C/C(=N\NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1ccc(-c2ccccc2)cc1 6780439 CBAQNVJWLKAEPC-WGOQTCKBSA-N 398.441 5.037 50 50 GKGA Cc1ccc(-c2csc(/C(C#N)=C\C=C\c3ccccc3[N+](=O)[O-])n2)c(C)c1 16513897 VFXLRUIWKWNTCD-FJJFEQPVSA-N 387.464 5.956 50 50 GKGA CCO[C@@H]([Si](C)(C)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 170024339 HLXMMICKMSLJAI-XMMPIXPASA-N 393.563 5.221 50 50 GKGA N#C/C(=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 5059488 CVKHRNPFSNOPAJ-UNOMPAQXSA-N 390.826 5.891 50 50 GKGA CCCCCCCCCCCCCCCC(=O)N/N=C(C)/C=C/c1ccccc1 102316881 BLEHUJGANSNDPM-RIPLDZIISA-N 398.635 7.673 50 50 GKGA CC1(C)C2=CC[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]3(C)C(=O)C[C@H]1CC2 1501069152 UNWZZEOWPXFPSL-ZBNTXBBCSA-N 390.684 6.909 50 50 GKGA Cc1c(Cl)ccc2c(C(=O)Cl)cc(-c3cccc(Br)c3)nc12 6254503 GBPZWRUOADBDKQ-UHFFFAOYSA-N 395.083 6.005 50 50 GKGA O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1cccc(Cl)c1 2568883 RWCMOQXRYIMZMF-ZMOGYAJESA-N 399.277 5.336 50 50 GKGA CC(C)(C)[C@@H]1CCc2c(C(=O)N/N=C\c3ccc(Cl)s3)csc2C1 4652256 LQSBLXIOBMGBAD-ISZXUTBVSA-N 380.966 5.378 50 50 GKGA Cc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc(C(F)(F)F)cc3)sc2c1 2761871 UXTYMURKVFLWPN-NUGSKGIGSA-N 396.821 5.646 50 50 GKGA N#C/C(=C\c1ccc(Br)o1)c1nc(-c2ccc(Cl)cc2)cs1 4991309 PBQQXRUJVBNBRP-YRNVUSSQSA-N 391.677 5.883 50 50 GKGA C[C@H](/C=C\C(=O)N(c1ccccc1)c1ccccc1)O[Si](C)(C)C(C)(C)C 606303027 FFYIODYJFXUZLG-SPSXULPESA-N 381.592 6.318 50 50 GKGA Cc1cccc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c1C 2286424 FNEUXUSMYBMWCM-ATVHPVEESA-N 399.475 5.510 50 50 GKGA CCCCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 253470568 GYVMIYAGOXCRBF-LFVJCYFKSA-N 386.923 5.730 50 50 GKGA C/C(=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(Cl)cc1 5621057 NIBHQGNTSXEUMB-JVWAILMASA-N 399.881 5.709 50 50 GKGA CC1=C(C#N)[C@@H](c2cc(-c3ccc(F)cc3)cs2)C2=C(CC(C)(C)CC2=O)N1 25694708 XQLVELLDDRRMTI-NRFANRHFSA-N 392.499 5.682 50 50 GKGA Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(C(C)C)cc1 1190376 OVRQIDQEXNDHCF-PXLXIMEGSA-N 383.495 5.763 50 50 GKGA CC1=C(C#N)[C@@H](c2ccc(-c3ccccc3Cl)o2)C2=C(CC(C)(C)CC2=O)N1 629434 WVYFTMXSUKJKGV-NRFANRHFSA-N 392.886 5.728 50 50 GKGA C[C@@H](C[Si](C)(C)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 169807277 OUHUPLDRIGJJSW-NRFANRHFSA-N 377.564 5.707 50 50 GKGA O=C(N/N=C/c1cccc2ccccc12)[C@H]1CC1(c1ccccc1)c1ccccc1 2839345 ZQYVWFUYZABSRA-GQUZIAHASA-N 390.486 5.296 50 50 GKGA Cc1ccsc1/C=C(\C#N)c1nc(-c2cccc(Br)c2)cs1 15686657 RDQQDEXSRGETAX-MDWZMJQESA-N 387.327 6.007 50 50 GKGA N#C/C(=C\c1ccc(Cl)cc1Cl)c1nc(-c2cccc(Cl)c2)cs1 4839071 KDRWFCMKTHFJLV-AWNIVKPZSA-N 391.710 6.834 50 50 GKGA N#C/C(=C\c1c(Cl)ccc(Cl)c1Cl)c1nc(O)c2ccccc2n1 3945060 HKFBXGCTNICFFM-VQHVLOKHSA-N 376.630 5.360 50 50 GKGA CC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(CC(C)(C)CC2=O)N1 632353 WUWUJEIIHGYCCU-XMMPIXPASA-N 398.506 5.393 50 50 GKGA CC(C)(C)OC(=O)n1c([N+](=O)[O-])cc2cc(O[Si](C)(C)C(C)(C)C)ccc21 261493464 BRNNSEHLQNSUSU-UHFFFAOYSA-N 392.528 5.717 50 50 GKGA N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1nc2ccccc2[nH]1 16192373 LCWLSDNORFXRPI-QBFSEMIESA-N 393.924 6.493 50 50 GKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@@H]3CC[C@@H](Cl)CC3=CC[C@@H]12 253499694 QGKAISHZHFSWHC-LJSAOBCZSA-N 377.056 7.855 50 50 GKGA N#CC(C(=O)[C@@H](Sc1ccccc1)c1ccccc1)=C1Nc2ccccc2N1 5729588 KAOYZSDERMYFOM-QFIPXVFZSA-N 383.476 5.362 50 50 GKGA CCCCCCCCCCCCc1ccc(NC(=O)[C@@H](Cl)C(C)=O)cc1 100818412 JLOFSNBCJVCHGI-NRFANRHFSA-N 379.972 6.285 50 50 GKGA N#C/C(=C\c1ccc(-c2ccccc2)o1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 4539906 OLLGQCXUFXKODG-SFQUDFHCSA-N 399.431 6.042 50 50 GKGA N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(C#N)cc1 16394019 SBDOPBIHJYCOJX-BKUYFWCQSA-N 381.391 5.110 50 50 GKGA CCc1c(C)sc(NC(=O)/C(C#N)=C/c2cn(CC)c3ccccc23)c1C#N 17079359 VIDTWBZCQGREFE-XNTDXEJSSA-N 388.496 5.011 50 50 GKGA Cc1ccc(/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)s1 4795692 SZSNTCKNELVDMD-MOSHPQCFSA-N 384.529 6.911 50 50 GKGA N#C/C(=C\c1ccc(-c2ccc(C(F)(F)F)cn2)cc1)c1ccc(Cl)cc1 263639817 KFQGFPOMDIMWEA-GZTJUZNOSA-N 384.788 6.485 50 50 GKGA O=C(Cl)c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 40451557 LZFBYQHZGSGRRP-UHFFFAOYSA-N 394.479 5.714 50 50 GKGA CC1=C(C#N)[C@H](c2ccccc2OC(C)C)C2=C(C[C@H](c3ccccc3)CC2=O)N1 19770375 CERIFGDJDRSVNA-DFBJGRDBSA-N 398.506 5.359 50 50 GKGA CCCCn1cc(/C=C(\C#N)C(=O)NCc2ccc(Cl)cc2)c2ccccc21 17080048 FSSFUPBQSADEPC-QGOAFFKASA-N 391.902 5.318 50 50 GKGA ClC1=C(Cl)[C@@]2(Cl)[C@@H](CBr)C[C@@]1(Cl)C2(Cl)Cl 100091912 DAASOABUJRMZAD-ORVGVNGYSA-N 393.750 5.233 50 50 GKGA in-man CC1=C(O[Si](C)(C)C)C=C[C@@H]([C@@H](CO[Si](C)(C)C(C)(C)C)C(C)C)C1 169833227 MPHFIACFTOJSII-MOPGFXCFSA-N 382.737 6.982 50 50 GKGA Cc1cc2nc(/C(C#N)=C/c3cccn3Cc3ccccc3[N+](=O)[O-])[nH]c2cc1C 4810802 VNYORROJWXPREO-LDADJPATSA-N 397.438 5.002 50 50 GKGA COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)c2cccc(F)c2)c1C 16426088 KYRWTPVXKAPRSR-ZDLGFXPLSA-N 391.402 5.214 50 50 GKGA N#C/C(=C/c1cccc2ccccc12)c1nc2cc(C(F)(F)F)ccc2s1 33457823 WYOQUZZTZWIWPR-GDNBJRDFSA-N 380.394 6.532 50 50 GKGA CC(C)(C)[Si](C)(C)O[C@H]1CCC[C@@]12C[C@H](Sc1ccccc1)C(=O)O2 169836775 JYIYMGYGYIYDPT-ABSDTBQOSA-N 378.610 5.407 50 50 GKGA CC[C@@H](Sc1nc2ccccc2s1)C(=O)NN=C(C)/C=C/c1ccccc1 245239865 MTRYHVBRSOHNQA-JYDVDXSISA-N 395.553 5.373 50 50 GKGA CC(C)(C)OC(=O)CCCCCOCCCCCOCCCCCCCl 1623300324 BCFCLXINSZPNKH-UHFFFAOYSA-N 393.008 5.891 50 50 GKGA CC(C)(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 2109316 MWYSITQHNCYFIZ-WGOQTCKBSA-N 397.478 5.556 50 50 GKGA Cc1cc(C)c(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c(C)c1 2894916 RCLFTQLYVDPQSP-VNSNFZHPSA-N 382.507 5.068 50 50 GKGA CC(C)(C)[Si](C)(C)O[C@H]1CCC[C@@]12C[C@@H](Sc1ccccc1)C(=O)O2 169836780 JYIYMGYGYIYDPT-FUHIMQAGSA-N 378.610 5.407 50 50 GKGA COC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc4ccccc4s3)o2)cc1 5103040 HADUHXUDRGHBCF-FOWTUZBSSA-N 386.432 5.407 50 50 GKGA CCCCCCCCCCCCCCOc1ccc(C(=O)CSC#N)cc1 101022765 NEENCGYFQGQYKB-UHFFFAOYSA-N 389.605 7.163 50 50 GKGA N#C/C(=C/c1cn(Cc2ccccc2C#N)c2ccccc12)c1cccc(F)c1 1064039 IAJNGSNMYCGYJA-MTJSOVHGSA-N 377.422 5.765 50 50 GKGA COc1cc(C)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1C(C)C 1196319 XNFDOOKFJZUHDR-LICLKQGHSA-N 382.891 5.635 50 50 GKGA C/C(=N\NC(=O)CCn1c2c(c3ccccc31)CCCC2)c1ccc(Cl)s1 6720107 VPKATQWFZFVTGE-OEAKJJBVSA-N 399.947 5.166 50 50 GKGA N#C/C(=C\c1ccc(O)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 4006069 ABOWILHEYHYDIN-KGENOOAVSA-N 380.472 6.247 50 50 GKGA CC1(C)/C(=N\NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)[C@]2(C)CC[C@H]1C2 100299779 OSRULRYXFGZPJZ-HOAIVTQBSA-N 386.539 5.311 50 50 GKGA Cc1ccc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1C 100590593 SASONVDJYSKCTF-ATVHPVEESA-N 399.475 5.510 50 50 GKGA ClC1=C(Cl)[C@@]2(Cl)[C@H](CBr)C[C@@]1(Cl)C2(Cl)Cl 100091916 DAASOABUJRMZAD-ZIMNBKJVSA-N 393.750 5.233 50 50 GKGA in-man O=C(N/N=C/C=C/c1ccccc1)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1 5126183 UFKHQVYUUPRKSX-LGFPMUJSSA-N 392.462 5.173 50 50 GKGA C1=CC(=C/C=C/C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C=CC1 102314907 XLCQUVOMQLCGPL-BUHFOSPRSA-N 393.490 5.979 50 50 GKGA CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]3C[C@@H](Cl)[C@H]2C(C)=O)C1 257358576 VEIABLNKNSOQQY-YQSHVWEHSA-N 392.967 5.303 50 50 GKGA C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccc2ccccc2c1 5034112 JDAPYFKZZHWILE-ZVHZXABRSA-N 388.858 5.037 50 50 GKGA CCCCSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)CC(=O)N1 9089073 WSTJDYGVNDGDQB-HXUWFJFHSA-N 392.524 5.138 50 50 GKGA C=C(C)C(=O)O[C@@]1(C#CC(C)(C)OOC(C)(C)C)C[C@H]2C[C@H]1[C@@H](C)C2(C)C 252694667 OBEDIMGIHQHZOK-ZHSNQQFMSA-N 376.537 5.075 50 50 GKGA biogenic CC(C)(C)[Si](C)(C)O[C@@H]1CC(=CCO)C[C@@H](O[Si](C)(C)C(C)(C)C)C1 195939666 YDSSQNPZARKZPC-QZTJIDSGSA-N 386.725 5.870 50 50 GKGA in-vitro CC(C)Oc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1Br 12364185 XCIYULOJPTUCED-DHDCSXOGSA-N 376.681 5.954 50 50 GKGA O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccccc2)cc1 2902124 BIGMIHPCRWJUCL-OVVQPSECSA-N 394.474 5.112 50 50 GKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccncc1 102313993 KEESGKUNBWNFAX-XTCLZLMSSA-N 387.612 6.793 50 50 GKGA N#C/C(=C\c1c[nH]nc1-c1ccccc1F)c1ncc(C(F)(F)F)cc1Cl 221853376 KBVXVFKWZUXMMR-BJMVGYQFSA-N 392.743 5.347 50 50 GKGA CC1=C(C#N)[C@@H](c2ccc(OCc3ccc(C)cc3)cc2)C2=C(CCCC2=O)N1 627404 YXJLXTORTKLNPD-XMMPIXPASA-N 384.479 5.066 50 50 GKGA Cn1c(/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)nc2ccccc21 3947285 ALHTWAQXDSJZMA-XMHGGMMESA-N 399.881 5.870 50 50 GKGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc2ccccc2c1 752504 PJWXRSJKBBPSHZ-GBXCKJPGSA-N 392.458 5.048 50 50 GKGA FC(F)(C(Br)Br)C12CC3C[C@](F)(C1)C[C@@](F)(C3)C2 3121411 PPQUHFBVNFDQPN-UHYONSCGSA-N 394.044 5.138 50 50 GKGA COc1ccc(-c2csc(/C(C#N)=C/c3ccc(Cl)cc3)n2)cc1OC 4784928 QNXUEBGKSZSAGN-OQLLNIDSSA-N 382.872 5.545 50 50 GKGA C[C@@]12CCC[C@@H]1[C@H]1CC=C3C[C@@H](OC(=O)CBr)CC[C@]3(C)[C@@H]1CC2 254611243 VJRJIJYWEUTVEU-ZBGUWCLVSA-N 395.381 5.646 50 50 GKGA COc1ccc(-c2csc(C(C#N)=CNc3c(C)cc(C)cc3C)n2)cc1 2049286264 KOTHFYLRTJQUSY-UHFFFAOYSA-N 375.497 5.721 50 50 GKGA COc1ccc(-c2csc(/C(C#N)=C/Nc3cccc4ccccc34)n2)cc1 1191112 LNURLKKEZBDQED-NBVRZTHBSA-N 383.476 5.948 50 50 GKGA CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(Br)c2)CC1 230554315 CIHCQKKWQHOJRS-UHFFFAOYSA-N 388.397 5.579 50 50 GKGA N#C/C(=C\c1ccccc1OCCOc1ccccc1)c1nc2ccccc2[nH]1 4678371 ROGTWXXNNWGDNI-KNTRCKAVSA-N 381.435 5.085 50 50 GKGA COc1cc([N+](=O)[O-])ccc1N/C=C(\C#N)c1nc(-c2ccc(C)cc2)cs1 4982547 NUIHREOIWCDRRG-RVDMUPIBSA-N 392.440 5.012 50 50 GKGA N#C/C(=C(/O)c1ccc(-c2ccccc2Cl)o1)c1nc2ccccc2s1 100892966 LNQDRUYDVHVSGA-UYRXBGFRSA-N 378.840 6.160 50 50 GKGA O=C(NC12CC3CC(CC(C3)C1)C2)c1nn(CCCCCCl)c2ccccc12 575415306 LGENBCKWDLSPTD-UHFFFAOYSA-N 399.966 5.144 50 50 GKGA in-vitro COc1ccc2nc(/C(C#N)=C/c3ccccc3Sc3ccccc3)[nH]c2c1 4739829 IZCMGOWBRJNFPL-GHRIWEEISA-N 383.476 5.787 50 50 GKGA C/C(=N\NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1)c1ccccc1Cl 5354019 MORHHSPIHIQKPL-ZVHZXABRSA-N 388.858 5.037 50 50 GKGA ClC(Cl)=C(Cl)[C@@H](Cl)C#C[C@@H](Cl)C(Cl)=C(Cl)Cl 101021283 SYOMTFHHGDWQAC-ZXZARUISSA-N 381.728 5.976 50 50 GKGA CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccccc1 3947286 WCMXUSDIVODOQH-XSFVSMFZSA-N 395.462 5.605 50 50 GKGA Cc1oc(-n2c(C)cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c2C)c(C#N)c1C 16268249 IEXSTHDNCQSKFS-GRSHGNNSSA-N 386.411 5.148 50 50 GKGA CCN(CC)c1ccc2cc(-c3ccc(CBr)cc3)c(=O)oc2c1 71771912 WTCCANMBFQWZMY-UHFFFAOYSA-N 386.289 5.201 50 50 GKGA C/C(Cc1ccccc1)=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 5073805 XSIWYCDXYRCOQH-IMRQLAEWSA-N 379.463 5.250 50 50 GKGA CCn1nc(C)c(/C=C(/C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1C 390834984 ZYCGAAKGBCKJPX-UWVJOHFNSA-N 392.572 5.508 50 50 GKGA Cc1cc(C)cc([C@H](Br)[C@H](Br)c2cc(C)cc(C)c2)c1 3122045 WANIZVCEDNZKEI-HDICACEKSA-N 396.166 6.492 50 50 GKGA CC(/C=C/c1ccccc1)=N\NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 4372601 CXGZYBXBDQUGRU-TXYZWMKHSA-N 384.479 5.326 50 50 GKGA Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 5682407 CCPAVSRUTNWYRQ-CVKSISIWSA-N 399.881 5.628 50 50 GKGA CCCCc1ccc(-c2csc(/C(C#N)=C\c3ccc(C(C)C)cc3)n2)cc1 13739348 PNZZASFSAJZFIX-HAHDFKILSA-N 386.564 7.340 50 50 GKGA Cc1ccccc1-c1cc(C(=O)N/N=C/c2cccc(F)c2)c2ccccc2n1 2759915 OOARDCHVGQTGQZ-CVKSISIWSA-N 383.426 5.113 50 50 GKGA COc1ccccc1/C=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1 4020347 PFFVGQHAPWUGLI-XNTDXEJSSA-N 397.297 5.645 50 50 GKGA CC(C)(C)[Si](C)(C)O[C@H]1CCc2c1ccc1ccc(Br)cc21 169838424 HORGSUNDNWZUJQ-SFHVURJKSA-N 377.398 6.611 50 50 GKGA CCN(CCCl)c1ccc(C=CC2=[N+](C)c3ccccc3C2(C)C)c(C)c1 4365584 HSEVJGUFKSTHMH-UHFFFAOYSA-N 381.971 5.780 50 50 GKGA CC(C)C(=O)Nc1cc(Br)ccc1CO[Si](C)(C)C(C)(C)C 170606070 ITOFVKPRPGHHLX-UHFFFAOYSA-N 386.406 5.565 50 50 GKGA C[C@@H](c1ccc(Br)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1 230542421 ZGMZEHJDDMDFKR-HNNXBMFYSA-N 398.461 5.996 50 50 GKGA C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](Cl)CC[C@]4(C)[C@@H]3CC[C@]12C 257358935 XLDYIGVDJXJPCC-CVVQGQCQSA-N 395.027 6.754 50 50 GKGA O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1c(F)cccc1Cl 1299847 VBVKMIRTEFNVJR-AFUMVMLFSA-N 393.849 5.127 50 50 GKGA C=CCOc1cc(Br)c(/C=C(/C#N)c2ccccc2F)cc1OC 16384025 RRTKFONYHJOVPN-ZROIWOOFSA-N 388.236 5.226 50 50 GKGA c1ccc(SC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 72400330 WYGHCXYTLGIJRQ-UHFFFAOYSA-N 385.492 5.730 50 50 GKGA in-vitro CC(C)(C)c1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc(C(C)(C)C)c1O 1780933 LNIQJGQOUWKUOW-LDADJPATSA-N 397.540 5.326 50 50 GKGA N#CC1=C(n2cccc2)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 4751887 XRWWGRMORYXSPA-GOSISDBHSA-N 385.250 5.308 50 50 GKGA CCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc(C)cc2)cs1 1176959 IBYJXACYUXCJGI-LGMDPLHJSA-N 389.480 5.272 50 50 GKGA CC(C)[C@H](NC(=O)CCCC[C@H]1CCSS1)c1nc2ccccc2n1C 217645773 AMFGVCMUYZFOQQ-KXBFYZLASA-N 391.606 5.101 50 50 GKGA biogenic C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(C#N)O[Si](C)(C)C 253370881 XNDQYNDBLGVEDE-GOMYTPFNSA-N 385.624 5.632 50 50 GKGA O=C(N/N=C/c1ccccc1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 4060366 OLGQIFYUVAMDLC-ZMOGYAJESA-N 399.277 5.336 50 50 GKGA CCCCCCCCCCCCCC(=O)N/N=C/c1c(O)ccc2ccccc12 102290408 VGLFOSRABVPODV-LHLOQNFPSA-N 396.575 6.697 50 50 GKGA CC1(C)/C2=C/C[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]3(C)C(=O)C[C@H]1CC2 169833921 UNWZZEOWPXFPSL-NFVVAELNSA-N 390.684 6.909 50 50 GKGA Cc1ccc2nc(Cl)c(/C=C(\C#N)c3nc(-c4ccccc4)cs3)cc2c1 4991195 QTVIGIRASAGMSI-WOJGMQOQSA-N 387.895 6.384 50 50 GKGA N#C/C(=C\c1ccc(-c2ccccc2Br)o1)c1nc2ccccc2[nH]1 4978980 CLJSXPYRCNLHGK-ACCUITESSA-N 390.240 5.650 50 50 GKGA N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccc([N+](=O)[O-])c1 16384092 VVRMGNGKGAEAPD-PTNGSMBKSA-N 384.313 5.938 50 50 GKGA O=C(Cl)c1cc(-c2ccccc2Cl)nc2ccc(Br)cc12 6337061 WGEQRLRNODGVIC-UHFFFAOYSA-N 381.056 5.697 50 50 GKGA N#CC1=C(SCc2cccc3ccccc23)NC(=O)C[C@@H]1c1ccc(F)cc1 9013820 ONAGODJJEXHVDU-HXUWFJFHSA-N 388.467 5.251 50 50 GKGA CO[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](CBr)CC[C@H]32)C1 257346849 BPLVWHHOFCJYCY-IVECGHKRSA-N 381.398 5.975 50 50 GKGA COc1ccc(OC)c(-c2cc(C(=O)Cl)c3ccc(Cl)c(C)c3n2)c1 6254489 ZHZQGDADAPWDBG-UHFFFAOYSA-N 376.239 5.260 50 50 GKGA CN(C)[C@H]([C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)c1ccccc1 100134720 XGEPNGYYHLHUEJ-SANMLTNESA-N 382.467 5.155 50 50 GKGA CCCCCCCCCCCCCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 100647694 VWPRBZVZCYTFLE-RELWKKBWSA-N 375.513 5.746 50 50 GKGA CCCCCCCCCCCCCCCC(=O)N/N=C/c1cccc(OC)c1 102291289 LAQXYLZLXJOWEA-NJNXFGOHSA-N 388.596 6.627 50 50 GKGA Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 4711274 ADXKXONFMVHCGZ-UNOMPAQXSA-N 389.886 5.602 50 50 GKGA Cc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(F)cc2)c2ccccc2n1 2760002 XPFQUXSJWWNQFZ-CVKSISIWSA-N 383.426 5.113 50 50 GKGA O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(Cl)c(Cl)c1 2897881 JTDGCWKENOZITJ-DNTJNYDQSA-N 387.719 5.030 50 50 GKGA N[C@@H](c1ccccc1)[C@H](c1ccccc1)P(c1ccccc1)c1ccccc1 100005743 MIPGTOGPLXZBQX-UIOOFZCWSA-N 381.459 5.561 50 50 GKGA O=[N+]([O-])c1ccccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1 100911322 HTSFZNJWVHYJFV-UHFFFAOYSA-N 398.402 5.404 50 50 GKGA CCc1ccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n[nH]2)cc1 5050138 MUDSIZRVGWHWHX-YZSQISJMSA-N 394.478 5.070 50 50 GKGA CC(/C=N/NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1)=C\c1ccccc1 12465665 DOIXXDSBZYPPHG-HKGZSDAISA-N 380.451 5.049 50 50 GKGA COc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 95682174 IOGDVRIMASORTR-UHFFFAOYSA-N 383.451 5.189 50 50 GKGA in-vitro N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 2849218 YXDWCIOGUJPBPQ-UYRXBGFRSA-N 390.826 5.891 50 50 GKGA CC(C)(C)OC(=O)CCCCCCCCCCCCCCBr 114085523 RLCMGTZVFCCFHP-UHFFFAOYSA-N 377.407 6.794 50 50 GKGA COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)cc3)n2)cc1OC 1190543 AVVUKULKADRGRX-SDNWHVSQSA-N 397.887 5.457 50 50 GKGA O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1Cl 2513485 SOICGVUTPYBCOI-ZMOGYAJESA-N 399.277 5.336 50 50 GKGA N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)c1ccc(Cl)cc1 4739673 WDOGTOVUVLUALS-ZROIWOOFSA-N 384.218 6.016 50 50 GKGA Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1-c1ccccn1 16319415 HRCOTWRMIMSRTA-WQRHYEAKSA-N 378.273 5.316 50 50 GKGA N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 16382978 CWKZNAKAJQYLFX-BKUYFWCQSA-N 381.391 5.110 50 50 GKGA COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCCC(C)C 4755934 GIQTVOBSEMBJBC-SFQUDFHCSA-N 378.497 5.794 50 50 GKGA CC1(C)CC(O)=C/C(=N/NC(=O)c2cccc3cc(-c4cccs4)[nH]c23)C1 100428674 NRYDRYXYQNYXEZ-UCQKPKSFSA-N 379.485 5.244 50 50 GKGA CCOc1ccc(N/C=C(/C#N)c2nc(-c3cccc(OC)c3)cs2)cc1 2289987 NUVGSOKFYMVFGT-SSZFMOIBSA-N 377.469 5.194 50 50 GKGA CC1=C(C#N)C(c2cccc(OCc3ccc(Cl)cc3)c2)C(C#N)=C(C)N1 25694994 WAKDVBJCDNVZTB-UHFFFAOYSA-N 375.859 5.201 50 50 GKGA CCCCCCCCCCCOc1ccc([N+](=O)[O-])cc1CBr 101016033 AVNYOPFSLRDULL-UHFFFAOYSA-N 386.330 6.399 50 50 GKGA Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(Sc2ccccc2)o1 5074093 UASDTSCOTKEVPK-QINSGFPZSA-N 394.883 5.938 50 50 GKGA CCCCCCCCCCCCCCCC(=O)N/N=C/c1ccccc1Cl 53226670 HOAXMTDKGUHSQZ-LKUDQCMESA-N 393.015 7.271 50 50 GKGA Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Br)cc3)n2)cc1 1191292 OFLPQXISSFQBDN-RVDMUPIBSA-N 396.313 5.858 50 50 GKGA Brc1ccc(SSc2ccc(Br)cc2)cc1 1587757 VZQVHIINDXJOQK-UHFFFAOYSA-N 376.138 6.011 50 50 GKGA in-vitro O=C(N/N=C/c1cccc(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12 2317365 FKDVBRSUKGIESW-MFKUBSTISA-N 385.854 5.319 50 50 GKGA CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c1 2854888 VARQACGBXMPVFX-KGENOOAVSA-N 399.494 5.347 50 50 GKGA Cc1ccc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)nc2c1 5028014 RAZZVOHLOUOWNK-WQRHYEAKSA-N 397.438 5.251 50 50 GKGA C[C@H](Sc1ccc(Cl)cc1)C(=O)NN=C(c1ccccc1)c1ccccc1 5721554 CQFDWUITFVSAEW-INIZCTEOSA-N 394.927 5.389 50 50 GKGA COc1c(Cl)cc(/C=C(/C#N)c2ccc(Cl)cc2)cc1Br 12364162 XMMRJKUCAQRQKY-SDQBBNPISA-N 383.072 5.829 50 50 GKGA COc1ccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1 2820674 AZAJCJKQWKCYGN-KAMYIIQDSA-N 397.887 5.457 50 50 GKGA CCCCCCCCCCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 100689827 ILHKFIKUYLLMTN-RELWKKBWSA-N 375.513 5.746 50 50 GKGA CC(C)=C1[C@H]2c3c(F)c(F)c(F)c(F)c3[C@H]1[C@@H]1[C@H]2[C@H](Cl)C=C[C@@H]1Cl 257346865 CCWKSRTXLNRHSM-KKRNQZGFSA-N 377.208 5.791 50 50 GKGA O=C(COc1ccc(Cl)cc1Cl)NN(c1ccccc1)c1ccccc1 1230490 ZWZVBVJHCKGBKP-UHFFFAOYSA-N 387.266 5.242 50 50 GKGA O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 2573406 CACOHRWDUHAAGU-ZMOGYAJESA-N 399.277 5.336 50 50 GKGA BrCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 60272408 YLEXRTHICRYWDL-UHFFFAOYSA-N 398.304 5.156 50 50 GKGA N#C/C(=C/c1ccc(-c2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 4011264 LZIAFMJREFDLCF-STZFKDTASA-N 398.918 7.195 50 50 GKGA CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 2790437 ZKDJQCQGPWBUSR-YZSQISJMSA-N 386.495 5.327 50 50 GKGA CCCCCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1O 100647724 RTUXYPKTIUIZHE-RCCKNPSSSA-N 397.357 5.526 50 50 GKGA COCO[C@@H]1C(=O)[C@@]2(C)C=C[C@H]1[C@@H]([C@H](CO[Si](C)(C)C(C)(C)C)C(C)C)C2 169833248 XSOBTSRWHANKDM-QUXXCFOZSA-N 396.644 5.051 50 50 GKGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3cccc4ccccc34)cc2)cc1 4360621 BWERJKYTMZTXTD-WPWMEQJKSA-N 394.474 5.491 50 50 GKGA COc1ccc2nc(/C(C#N)=C\c3cc(C)n(Cc4ccccc4)c3C)[nH]c2c1 4739832 QONGEIIOPQCQAV-NDENLUEZSA-N 382.467 5.102 50 50 GKGA CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OC 12363430 GCHCMGGFXVDYSZ-WPBJZHHJSA-N 386.835 5.498 50 50 GKGA COc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc4ccccc4c3)sc2c1 5676260 IWPVZNQKFLJJIZ-FSJBWODESA-N 394.883 5.480 50 50 GKGA CCOc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 95731256 QCMHSYZNHGLMAU-UHFFFAOYSA-N 397.478 5.579 50 50 GKGA COC(=O)c1ccc(/C=C(/C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 33710529 IETQVAMHKIJCFG-JYRVWZFOSA-N 388.370 5.166 50 50 GKGA CCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)o1 4976584 RGZHUTXJHBETLD-ZHZULCJRSA-N 398.487 6.533 50 50 GKGA Cc1c(Cl)ccc2c(C(=O)Cl)cc(-c3ccc(Br)cc3)nc12 6254492 UMXFDUWIHQMFNI-UHFFFAOYSA-N 395.083 6.005 50 50 GKGA CCOc1ccc(-c2cc(C(=O)Cl)c3cc(Br)ccc3n2)cc1 6048250 BOYXSUWGRWUIGZ-UHFFFAOYSA-N 390.664 5.442 50 50 GKGA CC(=O)C1=C(C)NC(SCc2ccccc2)=C(C#N)[C@H]1c1sccc1C 1199477 RMPLBQFFNDXNNE-LJQANCHMSA-N 380.538 5.275 50 50 GKGA CCCCCCCCCCCCCCCCCCI 6920368 ZNJOCVLVYVOUGB-UHFFFAOYSA-N 380.398 7.683 50 50 GKGA in-vitro CCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(O)cc1O 102316225 HURPGMYPCQGFKI-LYBHJNIJSA-N 390.568 6.029 50 50 GKGA CC(C)Oc1ccc(/C=C(/C#N)c2ccccc2Cl)cc1Br 4739694 NSNGWSDTWMXMSV-ZROIWOOFSA-N 376.681 5.954 50 50 GKGA CCCCCCCCCCCC(=O)N/N=C/c1cc2ccccc2nc1Cl 102310244 XBTBFPVSFXDKNM-JJIBRWJFSA-N 387.955 6.259 50 50 GKGA C=CCCCCCCCCC(=O)N/N=C(\c1ccccc1)c1ccc(Cl)cc1 25691148 LCWMQHCDLBGWQQ-SOYKGTTHSA-N 396.962 6.515 50 50 GKGA N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cccc(Oc2ccc(Cl)cc2)c1 1029258 SFGWETQOPNTTFC-NRFANRHFSA-N 390.826 5.056 50 50 GKGA COc1cccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c1OCc1ccccc1 4755740 GPQWWQYWDMABTO-RGEXLXHISA-N 381.435 5.215 50 50 GKGA N#C/C(=C\c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 16400163 OUKRXASNFWBCKA-KPKJPENVSA-N 391.710 6.834 50 50 GKGA N#C/C(=C/Nc1cccc(C(F)(F)F)c1)c1nc(-c2ccc(F)cc2)cs1 100412068 GHQQVGIFHBVEDI-RAXLEYEMSA-N 389.377 5.945 50 50 GKGA COc1c(Cl)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Br 16319656 AIBXYTDBUVEMBE-SDQBBNPISA-N 393.624 5.083 50 50 GKGA O=C(N/N=C/c1ccccc1Oc1ccccc1)c1ccc(C(F)(F)F)cc1 4085007 XVAXGUVLGOTIAD-AFUMVMLFSA-N 384.357 5.262 50 50 GKGA CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC)c(OC)c3)n2)cc1 5125538 VGVIDEUWSWGHAB-GZTJUZNOSA-N 392.480 5.290 50 50 GKGA N#C/C(=C/C=C/c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 2314792 CFZZADXOWRFQHZ-GUSDSWBTSA-N 393.309 6.193 50 50 GKGA CCC(=O)Nc1sc(/C(C#N)=C/c2ccc(OC)cc2)nc1-c1ccccc1 4833488 DUMPSBVWNSNKDT-GHRIWEEISA-N 389.480 5.231 50 50 GKGA Cc1ccc2nc(-c3ccccc3)cc(C(=O)Oc3ccc([N+](=O)[O-])cc3)c2c1 2338252 WQQWNYKUODARLN-UHFFFAOYSA-N 384.391 5.338 50 50 GKGA CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1 3997773 RJYSDZOIHKZSFU-XSFVSMFZSA-N 388.536 6.670 50 50 GKGA CCOc1ccc(-c2csc(/C(C#N)=C/c3cccc4ccccc34)n2)cc1 4020450 MIXZZMMNNHSUHW-XSFVSMFZSA-N 382.488 6.426 50 50 GKGA COc1ccc2[nH]c(/C(C#N)=C\c3ccccc3OCc3ccccc3F)nc2c1 5028300 WUIXAFMLKRAEBW-PDGQHHTCSA-N 399.425 5.354 50 50 GKGA ClC[C@@H]1[C@@H](CCl)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 113158303 FUZORIOHZSVKAW-DDHWAKIPSA-N 397.771 5.542 50 50 GKGA in-vitro CCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)c(OCC)c1 4147102 HNSCUAIYAIHUON-XDHOZWIPSA-N 390.508 5.980 50 50 GKGA N#C/C(=C/c1cccc(Oc2ccccc2)c1)S(=O)(=O)c1ccc(Cl)cc1 29764203 OFZCDYGHNINGMO-STZFKDTASA-N 395.867 5.471 50 50 GKGA CCCCCC(=O)N/N=C(/C)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 5020701 ULYZXHIIASTBPA-IWIPYMOSSA-N 385.895 5.013 50 50 GKGA O=C(N/N=C/c1cccs1)c1sc2cc(Br)ccc2c1Cl 2789044 WQCNSUJVSKALAW-REZTVBANSA-N 399.722 5.143 50 50 GKGA Cn1c(C(=O)C(Cl)(Cl)Cl)ccc1/C(C#N)=C/c1ccc(Cl)cc1 4001956 OOOXFPUZRDCKOH-DHZHZOJOSA-N 388.081 5.296 50 50 GKGA CC1(C)/C(=N\NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)[C@]2(C)CC[C@H]1C2 252498081 OSRULRYXFGZPJZ-UFGPELQJSA-N 386.539 5.311 50 50 GKGA N#C/C(=C\c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 3998035 ZRTQNVQWQCHKCI-NTUHNPAUSA-N 391.710 6.834 50 50 GKGA O=C(CCCC[C@@H]1CCSS1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 253407781 KEEREJHDSGVIDW-CRAIPNDOSA-N 389.590 5.331 50 50 GKGA biogenic CCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 102301595 WQCHJCDLOWCWLA-NCELDCMTSA-N 394.515 5.497 50 50 GKGA CC(C)(C)OC(=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1 32098887 KNXPVXCUELYHDM-UHFFFAOYSA-N 377.424 5.099 50 50 GKGA in-vitro COc1ccc(OC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 101092945 HONGAGCFPMJEAE-UHFFFAOYSA-N 399.450 5.026 50 50 GKGA C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(C#N)O[Si](C)(C)C 169832487 XNDQYNDBLGVEDE-DTILQVPTSA-N 385.624 5.632 50 50 GKGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 245226821 MUGMYCBDMMTNKL-PSOYFCNASA-N 391.298 5.530 50 50 GKGA c1ccc([P+](Cc2nc3ccccc3[nH]2)(c2ccccc2)c2ccccc2)cc1 95671052 MZSIXDLTHTWYGL-UHFFFAOYSA-N 393.450 5.057 50 50 GKGA COc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)cc1OCc1ccccc1 13027796 DTBBAVPWVGNHGK-YBFXNURJSA-N 388.492 5.672 50 50 GKGA N#C/C(=C\Nc1cccc2ccccc12)c1nc(-c2ccc3c(c2)OCO3)cs1 17201169 CUOYHHRUQJNPDO-SFQUDFHCSA-N 397.459 5.669 50 50 GKGA CC(C)/C(=N\NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccccc1 14920498 DWJAQAQJXSMMCQ-ZQULZTDNSA-N 382.507 5.169 50 50 GKGA CCCCCCCCCCCCCCCC(=O)N/N=C/C(C)=C\c1ccccc1 102284670 VBIWFDFFBXIRMZ-PBXSKZCKSA-N 398.635 7.673 50 50 GKGA N#C/C(=C/c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12)c1cccc(F)c1 16424840 UDPBKDZYJISKOT-NDENLUEZSA-N 396.421 5.591 50 50 GKGA CC(C)(C)[C@H]1CCc2c(C(=O)N/N=C\c3ccc(Cl)s3)csc2C1 4652257 LQSBLXIOBMGBAD-NUSHWZLESA-N 380.966 5.378 50 50 GKGA Cc1ccc(-c2cc3nc(C(Cl)Cl)nc(-c4cccs4)n3n2)cc1 1775976780 UTIRLDDGIKZMLD-UHFFFAOYSA-N 375.284 5.304 50 50 GKGA CCOc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(OC)c3)n2)cc1 1190952 NWEXTFSUIPVJQK-DTQAZKPQSA-N 377.469 5.194 50 50 GKGA CCOc1cc(/C=C(\C#N)C(=O)C(C)(C)C)c(Br)cc1OC(C)C 13322272 SWMAKDYATGZFGN-RIYZIHGNSA-N 394.309 5.157 50 50 GKGA C=C[C@@]12CC[C@@H](C[C@]1(O)C1=C[C@H](O[Si](C)(C)C(C)(C)C)CCC1)C2(C)C 257356022 FHDSLSJYUUVTNU-YDLSIGKMSA-N 376.657 6.231 50 50 GKGA O=[N+]([O-])c1cc(SSc2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl 1646851 ULMDSBDEJOBOLB-UHFFFAOYSA-N 377.230 5.609 50 50 GKGA O=P(Cl)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl 6844299 ZHHCWQGVXYGWCW-UHFFFAOYSA-N 379.218 5.107 50 50 GKGA in-vitro Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(C)c2C)c1C 15012321 YBGRHQDCUFBVIC-HMAPJEAMSA-N 383.495 5.565 50 50 GKGA Cc1ccc(/C=C(\C#N)c2ccc(/C(C#N)=C/c3ccc(C)cc3C)cc2)c(C)c1 2549189 NKDJGGSVKQDFDI-DPCVLPDWSA-N 388.514 7.049 50 50 GKGA N#C/C(=C\c1ccccc1Cl)c1nc(-c2cc3ccccc3oc2=O)cs1 3995819 UCAOJAMFOAUZOM-OQLLNIDSSA-N 390.851 5.634 50 50 GKGA COc1cc(N/C=C(/C#N)c2nc(-c3ccccc3)cs2)c(OC)cc1Cl 2280647 CBCQKKWLAGUASP-KAMYIIQDSA-N 397.887 5.457 50 50 GKGA N#C/C(=C\c1cccc(OCCOc2ccccc2)c1)c1nc2ccccc2[nH]1 4978855 PTXXWEXSUCMNRH-XDJHFCHBSA-N 381.435 5.085 50 50 GKGA Cc1csc(/C(C#N)=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)n1 5064784 DCSXIBZXRSSUDQ-IZZDOVSWSA-N 394.805 6.448 50 50 GKGA CCc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3)c2C)cc1 1188374 UVRZFTRQELUCEE-RCCKNPSSSA-N 399.494 5.211 50 50 GKGA Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2C)cc1C 16362909 UQLXGSCTCMQHII-HMAPJEAMSA-N 383.495 5.565 50 50 GKGA CCCCCCCCCCCCCC(=O)N/N=C/c1coc2ccccc2c1=O 102316242 NQJVZQKETAWIHX-XIEYBQDHSA-N 398.547 5.944 50 50 GKGA CC1(C)/C2=C\C[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@H]3C(=O)C[C@H]1CC2 169837587 PPYJLHCURJXXBS-DXICZVNESA-N 376.657 6.519 50 50 GKGA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)c2ccc(Cl)cc2)o1 12364155 NHTNPMQWLHHSOM-UVTDQMKNSA-N 380.787 5.581 50 50 GKGA N#C/C(=C/c1ccc(F)cc1)c1nc(-c2ccc(Br)cc2)cs1 13452418 HCVMAWRZUMTPCH-ZROIWOOFSA-N 385.261 5.776 50 50 GKGA CC1=C(C#N)[C@@H](c2cc(-c3ccc(C)cc3)cs2)C2=C(CC(C)(C)CC2=O)N1 25694744 WFYQWGWKZGBWDM-QFIPXVFZSA-N 388.536 5.851 50 50 GKGA CC(C)(C)c1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1O 2846768 VIVZNFLVLKUPNY-GZTJUZNOSA-N 378.472 5.960 50 50 GKGA CCOc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCC)n2)cc1 3997799 QXPWISPTKTXCPT-QGOAFFKASA-N 376.481 5.672 50 50 GKGA C[C@@H](Br)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 60272471 VWCMRQMDEQHCRL-LJQANCHMSA-N 398.304 5.154 50 50 GKGA COc1ccc(-c2onc3ccc(S(F)(F)(F)(F)F)cc23)cc1OC 103862457 YMYMQXDSJREIHZ-UHFFFAOYSA-N 381.322 6.169 50 50 GKGA C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](Cl)CC[C@]4(C)[C@@H]3CC[C@]12C 257358936 XLDYIGVDJXJPCC-IPYNYELDSA-N 395.027 6.754 50 50 GKGA N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc([N+](=O)[O-])c1 4739783 AUHJILWGNRHBES-NTEUORMPSA-N 385.206 6.226 50 50 GKGA C(=C/P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1 43260122 NCKJIJSEWKIXAT-QURGRASLSA-N 396.410 5.723 50 50 GKGA in-vitro N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(C(=O)O)cc1 2883141 OLOACEHRZDHXTE-MOSHPQCFSA-N 396.421 5.591 50 50 GKGA C/C(=N\NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(O)cc1 4919871 TUCHSJBEFVVCTM-WPWMEQJKSA-N 395.462 5.070 50 50 GKGA CCCCCCCCCCCCCC(=O)N/N=C/c1ccc(Cl)cc1Cl 100036088 KCWYSEMRHMOLHK-JJIBRWJFSA-N 399.406 7.145 50 50 GKGA CCOc1ccc2ccc(OCC)c(/C=C(/C#N)c3nc4ccccc4[nH]3)c2c1 15769531 PUDVJPRUPSHFQX-LGMDPLHJSA-N 383.451 5.578 50 50 GKGA CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C(=O)C[C@@]3(C)O)C(C=O)=CC[C@H]12 2332918241 PLWMYIADTRHIMY-JNNKLBEBSA-N 386.576 5.277 50 50 GKGA Cc1ccc(C)c(-c2cc(C(=O)N/N=C/c3ccc(F)cc3)c3ccccc3n2)c1 2090034 XABVRHJRIZRBAW-JFLMPSFJSA-N 397.453 5.422 50 50 GKGA COc1ccc(C2=C(C=O)[C@H](c3ccc(C)cc3)c3ccccc3O2)cc1OC 708606 ZFHVHESNMNPVCS-XMMPIXPASA-N 386.447 5.147 50 50 GKGA N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccccc1O 1191871 PCIZMCDVDRJLOA-FMIVXFBMSA-N 399.233 5.505 50 50 GKGA N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1nc2ccccc2[nH]1 4748725 KZUSDQBZRIHLBL-DTQAZKPQSA-N 393.475 5.541 50 50 GKGA COc1cc(OC)c(/C=C(/C#N)Sc2nc3ccccc3s2)cc1Cl 4820674 IOBPUGFNKVMDNX-GHXNOFRVSA-N 388.901 5.624 50 50 GKGA O=C(N/N=C/c1ccccc1C(F)(F)F)c1sc2ccccc2c1Cl 2100127 KROHICIHCRHVQK-LSFURLLWSA-N 382.794 5.337 50 50 GKGA CCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OC)c(OC)c1 102287902 JAOGMKAGIGUPRG-LYBHJNIJSA-N 390.568 5.855 50 50 GKGA COc1ccc(C2=C(C=O)[C@@H](c3ccc(C)cc3)c3ccccc3O2)cc1OC 708605 ZFHVHESNMNPVCS-DEOSSOPVSA-N 386.447 5.147 50 50 GKGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1sc2ccccc2c1Cl 2150933 KVKKZKVJMDOPAZ-DNTJNYDQSA-N 383.687 5.625 50 50 GKGA COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)c2nc3ccccc3s2)o1 5090932 IRIJAPDJFBZHJL-OWBHPGMISA-N 386.432 5.407 50 50 GKGA Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2C)c1 15012356 ZPDIRRXOMSHAAG-UYRXBGFRSA-N 389.886 5.602 50 50 GKGA Nc1cc(C(F)(F)F)ccc1SSc1ccc(C(F)(F)F)cc1N 95215249 HXDWRMYKQPNWEP-UHFFFAOYSA-N 384.370 5.688 50 50 GKGA in-vitro CC[P+](c1cccc(Cl)c1)(c1cccc(Cl)c1)c1cccc(Cl)c1 100854019 WCKWCOUZVALQFU-UHFFFAOYSA-N 394.689 5.961 50 50 GKGA Cc1cccc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c1 100146706 CAYHMVHLUPFFBY-FOWTUZBSSA-N 385.448 5.202 50 50 GKGA CC1(C)OC12[C@H]1c3c(F)c(F)c(F)c(F)c3[C@H]2[C@@H]2[C@H](Cl)C=C[C@@H](Cl)[C@H]21 101049839 FXYSLPGYEHXPHE-IMCAPHPOSA-N 393.207 5.002 50 50 GKGA O=C(N/N=C/c1ccccc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 5772492 GWZMYSPICSUKHJ-MFKUBSTISA-N 385.854 5.319 50 50 GKGA O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1c[nH]nc1-c1cccs1 5297661 PSPRFVMNPPETMI-DHRITJCHSA-N 396.475 5.209 50 50 GKGA Cc1ccsc1/C=C(/C#N)c1nc(-c2cc3ccccc3oc2=O)cs1 4070466 QAYSYKZJIHVGAK-ZROIWOOFSA-N 376.462 5.351 50 50 GKGA C[C@H](O[Si](C)(C)C(C)(C)C)c1ncc(CNC[C@@H](O)c2ccccc2)s1 225660601 DVJZDTPLEUPPDF-MAUKXSAKSA-N 392.641 5.049 50 50 GKGA COc1cc(OC)c(/C=C(/C#N)c2ccc(Br)cc2)cc1Cl 16194720 GSBPGDQNHTVOOL-QPEQYQDCSA-N 378.653 5.184 50 50 GKGA COCc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1 100694373 TZJRCZRDZDPQCE-UHFFFAOYSA-N 397.478 5.327 50 50 GKGA CC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc4cc(C)c(C)cc4[nH]3)o2)cc1 4820595 VZXWNTYBDWDEDO-XDHOZWIPSA-N 381.435 5.707 50 50 GKGA O=C(Cl)c1cc(-c2cccc(Br)c2)nc2ccc(Cl)cc12 6330690 WNEQKEQZIFMUAB-UHFFFAOYSA-N 381.056 5.697 50 50 GKGA C/C(=N\NC(=O)CCn1c2c(c3ccccc31)CCCC2)c1ccccc1Cl 12465142 CJNDCLTXDTUXCD-PCLIKHOPSA-N 393.918 5.104 50 50 GKGA COc1ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc1COc1ccc(F)cc1F 17078665 SOWPGVHITVGYGP-OQLLNIDSSA-N 385.410 5.075 50 50 GKGA Clc1ccc2c(SSc3ccnc4cc(Cl)ccc34)ccnc2c1 4687231 MSZBKTAJGGWGDX-UHFFFAOYSA-N 389.332 6.889 50 50 GKGA C[C@@H]1CCCC/C1=N\NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12 17080046 DIHFLHYYNIKRGR-VDTAOSLHSA-N 391.902 5.851 50 50 GKGA ClC[C@H]1[C@H](CCl)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 1673619 FUZORIOHZSVKAW-GXZSMAFLSA-N 397.771 5.542 50 50 GKGA CCCCP(=O)(CCCC)CP(=O)(c1ccccc1)c1ccccc1 3105907 QNHIGNLRUSRXHO-UHFFFAOYSA-N 376.417 5.921 50 50 GKGA N#C/C(=C/c1ccc(-n2cc(C=O)c3ccccc32)cc1)c1ccc2c(c1)OCO2 12961259 HWWDICZMATUALW-ODLFYWEKSA-N 392.414 5.236 50 50 GKGA N#C/C(=C/c1cccc(F)c1)c1nc(-c2ccc(Br)cc2)cs1 16511881 HSGVGRGVZBXLTQ-ZSOIEALJSA-N 385.261 5.776 50 50 GKGA O=C(Nc1ccc(Cl)cc1)Nc1ccccc1OC(F)(F)[C@@H](F)Cl 771842 YSWBBMPYHGQAHD-CYBMUJFWSA-N 379.165 5.490 50 50 GKGA N#C/C(=C/c1cccc(OC(=O)c2cccs2)c1)c1nc2ccccc2s1 32654843 VNOWDQBQSHXHFV-PTNGSMBKSA-N 388.473 5.641 50 50 GKGA CCCCN(CCCC)CCCP(=O)(c1ccc(C)cc1)c1ccc(C)cc1 2904146 NPQGNKXIVRTTJX-UHFFFAOYSA-N 399.559 5.910 50 50 GKGA C[C@H]1CCC[C@]2(C1)C(C#N)=C(SCC(=O)Nc1ccccc1)NC1=C2CCC1 1218526 PYGIGQXNGKWUKF-QMHKHESXSA-N 393.556 5.331 50 50 GKGA Cc1ccc(/C=C/c2ccc3c(c2)Cc2ccccc2[C@H]3Br)cc1 2025470 MILGNMDQSODPNA-BREAQWACSA-N 375.309 6.554 50 50 GKGA O=[N+]([O-])c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 33355033 ZFMVEZFICPFPQL-UHFFFAOYSA-N 398.422 5.089 50 50 GKGA biogenic FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(Br)cc3)cc2c1 103861056 AKKMASJEPSGJHM-UHFFFAOYSA-N 398.194 7.255 50 50 GKGA C=CCCC[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H](C)C(CCC(=C)C)=C1C 169834717 IHJVCYKKCDPBPW-GBXCKJPGSA-N 376.701 8.206 50 50 GKGA C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC=CC[C@@]43C)[C@H]1CC/C2=N/NC(=O)c1ccncc1 252694617 NJHIQSIODLRTDP-YCYBKVRFSA-N 391.559 5.376 50 50 GKGA biogenic N#C/C(=C(/C#N)c1ccc(Br)cc1)c1ccc(Br)cc1 39319660 RWHQRUSYDYNSTI-FOCLMDBBSA-N 388.062 5.170 50 50 GKGA COc1ccc(-c2nc(C(Cl)Cl)nc3cc(-c4ccc(C)cc4)nn23)cc1 1775975195 FVFNBHQHZSTHOM-UHFFFAOYSA-N 399.281 5.252 50 50 GKGA CC(C)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C[C@@]2(C)C=C[C@H]1CC2=O 257356663 JOIRFIWAQVURBY-ZZLPTCMGSA-N 378.673 6.622 50 50 GKGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 245227025 WTHGNZFUARPIKT-MSIWHDFOSA-N 396.918 5.195 50 50 GKGA CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc4ccc(C)cc4[nH]3)o2)cc1 4700954 RDDFHTFRYWRJAD-QGOAFFKASA-N 397.434 5.372 50 50 GKGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc2ccccc12 752434 SDOFUWGGNPWURO-MHECFPHRSA-N 392.458 5.048 50 50 GKGA Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2C)c1C 1189958 VCQKEELEILDNNL-DEDYPNTBSA-N 387.458 5.396 50 50 GKGA CC1=C(C#N)[C@H](c2ccccc2OC(C)C)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 19770377 CERIFGDJDRSVNA-CLOONOSVSA-N 398.506 5.359 50 50 GKGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3Cl)c3ccccc3n2)cc1 5617905 XTKPOJKJALGRQP-CVKSISIWSA-N 399.881 5.628 50 50 GKGA Cc1c(Cl)ccc2c(C(=O)Cl)cc(-c3ccc(Cl)cc3Cl)nc12 6254500 OYAKSESCPGINML-UHFFFAOYSA-N 385.077 6.549 50 50 GKGA N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc(Cl)cc1 5014275 RLBWXOOQZVVUEH-LCYFTJDESA-N 385.206 6.226 50 50 GKGA N#CC1=C(SCc2cccc3ccccc23)N=C(O)[C@H](C#N)C12CCCCC2 715874 OEBGOQGPFBOGQX-IBGZPJMESA-N 387.508 5.869 50 50 GKGA Cc1ccc2[nH]c(/C(C#N)=C\c3cccc(OCc4ccc(F)cc4)c3)nc2c1 4739799 CXILOXRBVUQTIU-UNOMPAQXSA-N 383.426 5.654 50 50 GKGA COc1ccc(-c2ccc([C@H]3C(C#N)=C(C)NC4=C3C(=O)CC(C)(C)C4)o2)cc1 25694723 YJOCDOKNVKOLFW-JOCHJYFZSA-N 388.467 5.083 50 50 GKGA O=C(CCCC[C@@H]1CCSS1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 253407783 KEEREJHDSGVIDW-QAPCUYQASA-N 389.590 5.331 50 50 GKGA biogenic N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1nc2ccccc2[nH]1 4705560 BHFDXBKLIVWUOH-QBFSEMIESA-N 383.436 5.248 50 50 GKGA C=C[C@@]12CC[C@@H](C[C@@]1(O)C1=C[C@H](O[Si](C)(C)C(C)(C)C)CCC1)C2(C)C 169832882 FHDSLSJYUUVTNU-JFSTXAPLSA-N 376.657 6.231 50 50 GKGA COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCl 68603371 LYHIGZLXZKJTPS-UHFFFAOYSA-N 396.249 5.182 50 50 GKGA biogenic Cn1cc(CNc2ccc(S(F)(F)(F)(F)F)cc2)c(-c2ccncc2)n1 170616003 QTGNLDSHLKSIFS-UHFFFAOYSA-N 390.381 5.752 50 50 GKGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1c2ccccc2cc2ccccc12 728578 INEZMZGOJOCSIS-QHCPKHFHSA-N 394.474 5.444 50 50 GKGA CC1=C(O[Si](C)(C)C)C=C[C@H]([C@@H](CO[Si](C)(C)C(C)(C)C)C(C)C)C1 169833225 MPHFIACFTOJSII-OALUTQOASA-N 382.737 6.982 50 50 GKGA CCCCOc1ccc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 2898449 LWKDLPNVDBICRN-XIEYBQDHSA-N 388.467 5.422 50 50 GKGA COc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1nc(-c2ccccc2)cs1 4991660 WLEDHCZUGVAVHE-VGOFMYFVSA-N 387.291 6.190 50 50 GKGA N#C/C(=C/c1cccc(Cl)c1)c1nc(-c2cc3ccccc3oc2=O)cs1 4991044 DJANMNHRODCDIZ-NVNXTCNLSA-N 390.851 5.634 50 50 GKGA C/C(=N\NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccccc1 5753292 RHKORTPIMLFDRG-OVVQPSECSA-N 379.463 5.364 50 50 GKGA CCCCCCCCCC(=O)N/N=C/c1cccc(OCc2ccccc2)c1 100647596 RFBJLVZJVOTJLQ-NCELDCMTSA-N 380.532 5.856 50 50 GKGA N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1nc2ccccc2[nH]1 4149746 YEVARUSXZLMOCC-UKTHLTGXSA-N 389.798 5.239 50 50 GKGA CC(C)[C@@H]1CCC(CSc2ccccc2)=C1CO[Si](C)(C)C(C)(C)C 169828838 SIMPIUWLJZUKDG-FQEVSTJZSA-N 376.682 7.163 50 50 GKGA Cc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)cc1 222139092 HQQJKVLTOQMNKY-NTEUORMPSA-N 382.250 5.482 50 50 GKGA Cc1cc(C)cc(C(O[Si](C)(C)C)(c2cc(C)cc(C)c2)[C@@H]2CCCN2)c1 169982959 JQCAWHIRAPRAPR-QHCPKHFHSA-N 381.636 5.767 50 50 GKGA N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc2ccccc2[nH]1 4891427 QBVZGXUTVCTABJ-XFXZXTDPSA-N 380.234 6.194 50 50 GKGA CC(C)(C)[Si](C)(C)OC1CCN(C(=S)Nc2ccc(Cl)cc2)CC1 306145195 GYWQFBJNRXFCGC-UHFFFAOYSA-N 385.049 5.523 50 50 GKGA O=S(=O)(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccc(F)cc1 170593725 UHUZDZPOQAFMEL-UHFFFAOYSA-N 377.331 5.284 50 50 GKGA O=C(N/N=C/c1ccccc1Cl)c1cc(-c2ccccc2)nc2ccccc12 2702203 GFIUZXUCABIKFZ-MFKUBSTISA-N 385.854 5.319 50 50 GKGA COc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 4154850 FFIZDSPVCQQFTA-DHDCSXOGSA-N 382.872 5.545 50 50 GKGA Cc1ccc(Sc2nc3ccccc3cc2/C=N/NC(=O)c2ccco2)cc1 4997095 DZCXPDHNCFEFQE-OEAKJJBVSA-N 387.464 5.051 50 50 GKGA O=[N+]([O-])c1ccc(Cl)c(SSc2cc([N+](=O)[O-])ccc2Cl)c1 1646850 QQDYIOTXSJACKL-UHFFFAOYSA-N 377.230 5.609 50 50 GKGA CCOc1cc(/C=C(/C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1O 96585317 YZAWNSDHDCJSKW-GHXNOFRVSA-N 390.386 5.484 50 50 GKGA CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](CBr)CC[C@H]32)C1 257346852 BPLVWHHOFCJYCY-VBANPHMBSA-N 381.398 5.975 50 50 GKGA Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c1 4711265 ORMKGOSHHFOVGY-HMAPJEAMSA-N 383.495 5.565 50 50 GKGA COc1cc(Cl)c(/C=C(\C#N)c2ccc(Br)cc2)cc1OC 4831877 AHSSLPNMDNNZEB-NTUHNPAUSA-N 378.653 5.184 50 50 GKGA CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 100195491 KIRQZUHCUZIIKP-MFOYZWKCSA-N 398.853 5.609 50 50 GKGA CC(C)(C)[Si](C)(C)OC1C[C@@H]2[C@H]([C@H]3[C@@H](C1)C3(Cl)Cl)C2(Cl)Cl 169827103 QEKNNVGSMWNWRH-DDHJBXDOSA-N 390.254 6.010 50 50 GKGA Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1 1190077 HJIPQSLNEAJZNS-GZTJUZNOSA-N 393.849 5.432 50 50 GKGA COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OCc1ccccc1F 12362994 BTQYYYUOBDVIOF-UNOMPAQXSA-N 393.845 6.131 50 50 GKGA N#CC1=C(SCc2ccccc2)NC(=O)C[C@H]1c1ccc(Cl)cc1Cl 759146 UHNVFISHLURLOC-HNNXBMFYSA-N 389.307 5.265 50 50 GKGA COc1cccc(OC)c1-c1ccccc1P(c1ccccc1)c1ccccc1 100033102 SCPQRAVWOIURIW-UHFFFAOYSA-N 398.442 5.129 50 50 GKGA N#C/C(=C/C=C/c1ccccc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2493880 RXKYEGNDNJVPIV-QSJINSDNSA-N 383.303 6.737 50 50 GKGA N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1sccc1C#N 17077656 YMEFQQTWBQKSCN-UKTHLTGXSA-N 379.828 5.079 50 50 GKGA N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)c1nc2ccccc2s1 4091076 PGSAGUVWAKRRTP-XMHGGMMESA-N 391.499 6.363 50 50 GKGA COc1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1Br 4866914 UYZHJFGGEYECHO-RIYZIHGNSA-N 382.261 5.015 50 50 GKGA c1ccc(P(c2ccccc2)c2ccc3ccc4cccc5ccc2c3c45)cc1 64858311 DSYGKYCYNVHCNQ-UHFFFAOYSA-N 386.434 6.342 50 50 GKGA in-vitro C[C@@H](Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccc([S@](C)=O)cc1 225602723 JAHFIIVVFGTXAV-BGJPBQGDSA-N 385.423 6.255 50 50 GKGA COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)c2ccc(F)cc2)c1C 12364110 RSHJAHJBAGMORJ-WQRHYEAKSA-N 391.402 5.214 50 50 GKGA Cc1cc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccccc2n1 2318855 HKKJJWGUPAREKU-JVWAILMASA-N 389.458 5.614 50 50 GKGA CCOC(=O)c1cccc(-c2ccc(/C=C(\C#N)c3nc4ccc(C)cc4[nH]3)o2)c1 4678674 LEPJYRBJFGVNFF-QGOAFFKASA-N 397.434 5.372 50 50 GKGA CC(/C=C/c1ccccc1)=N\NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 4372600 CXGZYBXBDQUGRU-BVOGXMOESA-N 384.479 5.326 50 50 GKGA Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)c1 4711269 HBKOWKBOFHAAFT-HMAPJEAMSA-N 383.495 5.565 50 50 GKGA CC1=C(C#N)[C@H](c2cccc(OCc3ccccc3)c2)C2=C(CC(C)(C)CC2=O)N1 627009 GPQKWEWSBKWYNA-DEOSSOPVSA-N 398.506 5.393 50 50 GKGA c1ccc([C@H]2COC([C@H]3CCC[C@H]3P(c3ccccc3)c3ccccc3)=N2)cc1 1857523999 VOFZBWQJOJWJTC-ISJGIBHGSA-N 399.474 5.458 50 50 GKGA CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCC)cc3)n2)cc1 4843885 SDJBISOXZJFYSA-RCCKNPSSSA-N 388.536 6.616 50 50 GKGA CC(C)/C(=N\NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccccc1 14920495 DWJAQAQJXSMMCQ-DRSALWLGSA-N 382.507 5.169 50 50 GKGA CC(C)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C[C@@]2(C)C=C[C@H]1CC2=O 257356662 JOIRFIWAQVURBY-NNXSRULWSA-N 378.673 6.622 50 50 GKGA N#CC(C#N)=CNc1ccc(Sc2ncc(C(F)(F)F)cc2Cl)cc1 2562200 CEUWLTAREQRHGM-UHFFFAOYSA-N 380.782 5.248 50 50 GKGA Cc1occc1C(=O)N/N=C(/c1ccccc1)c1ccc(-c2ccccc2)cc1 5537181 MBAFWHHXMIRVCO-LCUIJRPUSA-N 380.447 5.437 50 50 GKGA Clc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1 100638260 BNKRLUXTZKADDZ-UHFFFAOYSA-N 387.870 5.834 50 50 GKGA Cc1ccc(CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 101011029 GONQPQQQUSDBAS-UHFFFAOYSA-N 381.479 5.532 50 50 GKGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc2ccccc2c1 752502 PJWXRSJKBBPSHZ-RDPSFJRHSA-N 392.458 5.048 50 50 GKGA O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cccc(Br)c1 1957796 DNYLFYAAYWLEFD-HYARGMPZSA-N 395.256 5.005 50 50 GKGA C1=CC(=C/C=C\C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C=CC1 102314909 XLCQUVOMQLCGPL-YPKPFQOOSA-N 393.490 5.979 50 50 GKGA Cc1ccc(/C=N/NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc23)cc1 2090949 FSFSMMDTZHTZJE-WGOQTCKBSA-N 379.463 5.283 50 50 GKGA N#C/C(=C\c1ccc(Cl)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 4832838 KASMHLVVFOQGML-KGENOOAVSA-N 398.918 7.195 50 50 GKGA CCOc1ccc([C@@H]2CC(=O)NC(SCc3ccccc3Cl)=C2C#N)cc1 2836466 ISMWLYNWUIQQRH-KRWDZBQOSA-N 398.915 5.011 50 50 GKGA N#C/C(=C\c1ccc(C(F)(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 5062909 RKLNKAFDAMERTN-YRNVUSSQSA-N 398.331 6.398 50 50 GKGA COc1ccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 13027820 WUZXDSMQXRGFDD-XNTDXEJSSA-N 397.297 5.645 50 50 GKGA C=CCOc1ccccc1/C=N/NC(=O)CCCCCCCCCCCCC 102290569 OLYBPVMRHQTOFD-NJNXFGOHSA-N 386.580 6.403 50 50 GKGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc2ccccc2c1 752501 PJWXRSJKBBPSHZ-YKSBVNFPSA-N 392.458 5.048 50 50 GKGA COc1ccccc1/C=C(\C#N)c1ccc(/C(C#N)=C/c2ccccc2OC)cc1 624530 KVYNWIIFLOLFEZ-DFEHQXHXSA-N 392.458 5.832 50 50 GKGA CCCCSC1=C(C#N)[C@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N1 20171597 KZCKONRUUDLMFJ-FQEVSTJZSA-N 396.556 5.294 50 50 GKGA N#C/C(=C/c1ccccc1OCc1cccc(Cl)c1)c1nc2ccccc2[nH]1 4748274 FJEDZDGXKBZVSB-AQTBWJFISA-N 385.854 5.859 50 50 GKGA CCCCCCCCCCCCc1ccc(NC(=O)[C@H](Cl)C(C)=O)cc1 100818411 JLOFSNBCJVCHGI-OAQYLSRUSA-N 379.972 6.285 50 50 GKGA CN(C)c1ccccc1-c1ccccc1P(c1ccccc1)c1ccccc1 95713310 JGFXUYLYPITYGR-UHFFFAOYSA-N 381.459 5.178 50 50 GKGA in-vitro C/C(=N\NC(=O)c1cc(-c2cccc3ccccc23)[nH]n1)c1ccccc1Cl 9110891 AVINOKJXPAOPNC-ZVHZXABRSA-N 388.858 5.037 50 50 GKGA CN(C)c1ccc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 3997817 RZVDFFDMRTUESQ-GZTJUZNOSA-N 399.475 5.047 50 50 GKGA N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(Br)c1 15745738 RBNYEMKWNVUIER-GHXNOFRVSA-N 395.178 5.014 50 50 GKGA CC(=O)C1=C(C)NC(SCc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccccc1 4786218 NBUGNYYQXYEAQO-NRFANRHFSA-N 394.927 5.558 50 50 GKGA N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)c1nc2ccccc2s1 4725594 YKZICZYLTOTYOI-NBVRZTHBSA-N 382.444 5.580 50 50 GKGA Cc1ccc2cc(/C=C(\C#N)c3nc(-c4ccccc4)cs3)c(Cl)nc2c1 4991102 SSMQTRHZEXGUEX-WOJGMQOQSA-N 387.895 6.384 50 50 GKGA C=C(C)C(=O)O[C@@]1(C#CC(C)(C)OOC(C)(C)C)C[C@H]2C[C@H]1[C@H](C)C2(C)C 252694666 OBEDIMGIHQHZOK-FXKZBUDASA-N 376.537 5.075 50 50 GKGA biogenic Fc1ccc(-c2cc3nc(C(Cl)Cl)nc(-c4cccs4)n3n2)cc1 1775975033 BLHKDUXNEHGTEU-UHFFFAOYSA-N 379.247 5.135 50 50 GKGA N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc([N+](=O)[O-])cc1 1119166 DFPRDXFPYGOTCM-GHRIWEEISA-N 398.447 5.573 50 50 GKGA Cc1ccc(-c2csc(/C(C#N)=C/c3cc4ccccc4nc3Cl)n2)cc1 4991750 APWWOHTZYCIHKO-WOJGMQOQSA-N 387.895 6.384 50 50 GKGA CC/C(=N\NC(=O)COc1ccc(C)cc1C)c1ccc(-c2ccccc2)cc1 22339979 UHPYTYMMWNFTQC-WNAAXNPUSA-N 386.495 5.280 50 50 GKGA C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 4613789 DKXFKHXSLSVIEY-YDZHTSKRSA-N 387.266 5.066 50 50 GKGA N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2cc(C(F)(F)F)ccc2s1 5041384 QKLQGLAJVLUCPN-YRNVUSSQSA-N 375.331 5.287 50 50 GKGA N#C/C(=C\c1c[nH]nc1-c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 5041707 CWWNKCCKSRAVAC-MHWRWJLKSA-N 388.883 5.918 50 50 GKGA CC(C)(C)/C(=N/SS/N=C(/c1ccccc1)C(C)(C)C)c1ccccc1 102298480 CNVHSGBUPBZTNG-KDMDJZHMSA-N 384.614 7.269 50 50 GKGA Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 4722904 UFPRRPGYLCNPIG-WJDWOHSUSA-N 387.395 5.017 50 50 GKGA CCCCC[C@@H]1c2ccccc2C(O)=C(C(=O)N/N=C/c2ccccc2F)[C@H]1C 5792623 IZSIJVJPMUPACO-OXHGKFDLSA-N 394.490 5.559 50 50 GKGA COc1ccccc1/C=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 16671827 IVSPMWDMVAEUBR-MDWZMJQESA-N 387.291 6.190 50 50 GKGA CCn1c2ccccc2c2cc(/C=N/NC(=O)[C@@H]3C[C@H]3c3ccccc3)ccc21 2186981 UBUJBWSZVKWEIS-QUDORQGISA-N 381.479 5.068 50 50 GKGA N#CC1=C(n2cccc2)OC2=C(C(=O)CCC2)[C@H]1c1ccc(C(F)(F)F)cc1 4751373 RASBYVAWECNCEF-SFHVURJKSA-N 384.357 5.020 50 50 GKGA Cc1cc2nc(/C(C#N)=C\c3ccc(OCc4ccc(F)cc4)cc3)[nH]c2cc1C 4821361 ZEOZNSNENDEEEL-MOSHPQCFSA-N 397.453 5.962 50 50 GKGA Cc1cc(NNC(=O)C(c2ccccc2)c2ccccc2)c2ccc(C)c(C)c2n1 3187016 ZKBJYZIPERAYHC-UHFFFAOYSA-N 395.506 5.435 50 50 GKGA CCCCCCCCCC(=O)N/N=C/c1ccccc1OCc1ccccc1 102301268 UCUNSOBTDFAHDX-NCELDCMTSA-N 380.532 5.856 50 50 GKGA CC(C)(C)[C@@H]1COC(C2=CCC[C@H]2P(c2ccccc2)c2ccccc2)=N1 1857777433 IUDQOQVENLTUIH-YADHBBJMSA-N 377.468 5.052 50 50 GKGA CCOc1cc(Br)c(/C=C(/C#N)c2ccc(F)cc2)cc1OC 16400142 OCEBAEQSSYTPGA-ZSOIEALJSA-N 376.225 5.060 50 50 GKGA O=C(Nc1cccc(Cl)c1)Nc1ccccc1OC(F)(F)[C@@H](F)Cl 754134 MJSCABNXYCQQHZ-CYBMUJFWSA-N 379.165 5.490 50 50 GKGA CC(C)c1ccc(NC(=O)NNC(=O)c2cc(C(C)C)cc(C(C)C)c2O)cc1 17081314 KORXONVNODOHAB-UHFFFAOYSA-N 397.519 5.229 50 50 GKGA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(C#N)O[Si](C)(C)C 253370880 XNDQYNDBLGVEDE-BSNLUDBSSA-N 385.624 5.632 50 50 GKGA CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(OCc2ccc(C)cc2)cc1 4360571 UNAIRQCNUUGLEB-NIMCYNAZSA-N 384.479 5.393 50 50 GKGA O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)cc2)cc1 43190678 KDZLUGLAUUVIHS-ZMOGYAJESA-N 399.277 5.336 50 50 GKGA C[C@@]12CCC[C@@H]1[C@H]1CC=C3C[C@@H](OC(=O)C(Cl)Cl)CC[C@]3(C)[C@@H]1CC2 254899157 WQWFFYCDRORWHD-GLDUVZCJSA-N 385.375 6.055 50 50 GKGA N#C/C(=C\c1ccccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 5008809 QDMTZOHOZFJHNP-KPKJPENVSA-N 391.710 6.834 50 50 GKGA N#C/C(=C/Nc1ccc(F)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 5194313 LHRHZLJHKIAUGI-KAMYIIQDSA-N 389.411 5.032 50 50 GKGA CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2[C@@H]([C@H]3[C@@H](C1)C3(Cl)Cl)C2(Cl)Cl 257347062 QEKNNVGSMWNWRH-PZWNZHSQSA-N 390.254 6.010 50 50 GKGA CCCCCCCCC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1 102288967 GDHJLCVBXUANBV-XIEYBQDHSA-N 380.532 5.775 50 50 GKGA CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3)c2C)c1 1195353 DWLBAVAYOGBZKY-XSFVSMFZSA-N 385.467 5.039 50 50 GKGA COc1ccc(Cl)cc1N/C=C(/C#N)c1nc(-c2ccc(F)cc2)cs1 2820686 KGQXXIPZDQOFTC-RAXLEYEMSA-N 385.851 5.588 50 50 GKGA O=C(N/N=C/c1cc2ccccc2cc1O)c1sc2cc(F)ccc2c1Cl 793933 CBWNLSUPEDFKNH-AUEPDCJTSA-N 398.846 5.317 50 50 GKGA N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)c1nc(O)c2cc(Cl)ccc2n1 4427072 JSRYSBIHFPQZCA-UKTHLTGXSA-N 391.789 5.452 50 50 GKGA N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)c1ccc(Cl)cc1 15769154 AIKUKBWHPDNTTB-NDENLUEZSA-N 389.838 5.681 50 50 GKGA N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(C(=O)O)cc1 4809872 PXYQPPOZBGEJJA-WJDWOHSUSA-N 383.325 5.728 50 50 GKGA CC1=C(C#N)[C@H](c2ccc(OCc3ccc(C)cc3)cc2)C2=C(CCCC2=O)N1 19800654 YXJLXTORTKLNPD-DEOSSOPVSA-N 384.479 5.066 50 50 GKGA N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccc(Cl)cc1Cl)Sc1ccccc12 850166 GPVMXVXTVZRQIL-KRWDZBQOSA-N 397.290 5.132 50 50 GKGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc2ccccc2c1 752503 PJWXRSJKBBPSHZ-HYBUGGRVSA-N 392.458 5.048 50 50 GKGA O=C(O)CCCCCCCCCCCCCCCCCCBr 4293882 FLMPHTLDVWMADF-UHFFFAOYSA-N 377.407 7.098 50 50 GKGA CC(C)[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1nc2ccccc2n1C 409412990 AMFGVCMUYZFOQQ-DNVCBOLYSA-N 391.606 5.101 50 50 GKGA Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 732073 VLVXFZBVYOLNGR-XDHOZWIPSA-N 383.856 5.247 50 50 GKGA CCCCCCCCCCCCCCCCCC(=O)C(O)(O)CCCl 199613234 SQSCXLPLOKCGCQ-UHFFFAOYSA-N 377.009 6.127 50 50 GKGA in-vitro CCOc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c2C)cc1 12363409 VIHUSPODVWHRRB-ZHZULCJRSA-N 387.439 5.465 50 50 GKGA Cc1ccc(-c2cc3nc(C(Cl)Cl)nc(-c4ccc(F)cc4)n3n2)cc1 1775975831 GPDZSWLMIPUFGC-UHFFFAOYSA-N 387.245 5.382 50 50 GKGA CC1(C)O[C@]12[C@H]1c3c(F)c(F)c(F)c(F)c3[C@H]2[C@@H]2[C@H]1[C@H](Cl)C=C[C@@H]2Cl 257346929 FXYSLPGYEHXPHE-FSCNWPOVSA-N 393.207 5.002 50 50 GKGA C/C(=N/NC(=O)c1cccc(Br)c1)c1ccc(-c2ccccc2)cc1 12342902 ULGFIFSPFJRMQN-HAHDFKILSA-N 393.284 5.270 50 50 GKGA COc1ccccc1/C=C(\C#N)c1nc(-c2ccc(C)cc2)c(NC(C)=O)s1 4833567 DYBHVCSTCPNMTP-LDADJPATSA-N 389.480 5.150 50 50 GKGA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(C#N)O[Si](C)(C)C 253501695 XNDQYNDBLGVEDE-ZKPZVSKHSA-N 385.624 5.632 50 50 GKGA CCCCOc1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 4982606 OQUAEWPSRLFYCC-XDJHFCHBSA-N 389.524 6.274 50 50 GKGA C[C@@H](Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccc([S@@](C)=O)cc1 225602785 JAHFIIVVFGTXAV-QVQLBTGDSA-N 385.423 6.255 50 50 GKGA C[C@H]1CCCC/C1=N\NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12 17080047 DIHFLHYYNIKRGR-KERFUJQDSA-N 391.902 5.851 50 50 GKGA N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(N)=S 2886061 HEWAJNWAKMBHEO-NTUHNPAUSA-N 386.307 5.189 50 50 GKGA CC(/C=C/c1ccccc1)=NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 252586689 RVSSFADLPULGQQ-QPCQQGOKSA-N 391.474 5.721 50 50 GKGA CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]3C[C@@H](Cl)[C@@H]2C(C)=O)C1 257358574 VEIABLNKNSOQQY-QTWHALIFSA-N 392.967 5.303 50 50 GKGA O=C1c2ccccc2CC[C@@]1(Br)[C@H](Br)c1ccccc1 1744913 IXNZDXYMRGOCOZ-NVXWUHKLSA-N 394.106 5.085 50 50 GKGA Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)nc2c1 5028082 AERFMHBZSWHDMT-RVDMUPIBSA-N 384.395 5.412 50 50 GKGA CO[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](CBr)[C@@]4(C)CC[C@H]32)C1 257346851 BPLVWHHOFCJYCY-MTPZLDIWSA-N 381.398 5.975 50 50 GKGA CC(C)=C1[C@H]2c3c(F)c(F)c(F)c(F)c3[C@H]1[C@H]1[C@H]2[C@H](Cl)C=C[C@@H]1Cl 257346867 CCWKSRTXLNRHSM-NEKWJRAQSA-N 377.208 5.791 50 50 GKGA C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 2932684 WTHGNZFUARPIKT-HGBSZDESSA-N 396.918 5.195 50 50 GKGA C[C@H](Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccc([S@](C)=O)cc1 225602695 JAHFIIVVFGTXAV-RULNZOCKSA-N 385.423 6.255 50 50 GKGA C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccc2ccccc2c1 13943270 CCTULKJFAKNTFG-OEAKJJBVSA-N 391.521 5.082 50 50 GKGA Cc1ccccc1CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100696694 CIRQWJUZTMSZIG-UHFFFAOYSA-N 395.506 5.922 50 50 GKGA N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)c1ccc(Cl)cc1 2848425 COCBWUPFQBCVAW-UNOMPAQXSA-N 390.826 5.891 50 50 GKGA CCCCCCCCCCCCCCCCCCCC[P@@](=O)(F)OC 44387584 IRQAGEYFWAZZPI-VWLOTQADSA-N 378.553 8.837 50 50 GKGA in-vivo Cc1ccc(/C=C/c2ccc3c(c2)Cc2ccccc2[C@@H]3Br)cc1 2025477 MILGNMDQSODPNA-YSESTWPTSA-N 375.309 6.554 50 50 GKGA N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)c1cccc([N+](=O)[O-])c1 1071288 DTLBTSSHCSTGKI-MTJSOVHGSA-N 381.391 5.110 50 50 GKGA O=C(N/N=C/C=C/c1ccccc1)c1ccc(OCc2ccc(Cl)cc2)cc1 4360550 IQJMGYNSVUTERJ-RLPDPWMMSA-N 390.870 5.348 50 50 GKGA CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc4ccccc4n3C)o2)cc1 4978986 LFUDSONOIMHHOF-JXAWBTAJSA-N 397.434 5.074 50 50 GKGA CCCCC[C@H]1c2ccccc2C(O)=C(C(=O)N/N=C/c2ccccc2F)[C@@H]1C 5792644 IZSIJVJPMUPACO-HSRNYYRCSA-N 394.490 5.559 50 50 GKGA CCCCC[C@H](Br)C(=O)c1ccc(-c2ccc(CCC)cc2)cc1 65335460 GQJZIJQYSMHJPH-NRFANRHFSA-N 387.361 6.833 50 50 GKGA N#C/C(=C\C=C\c1ccccc1)c1nc(-c2cc3ccccc3oc2=O)cs1 2842553 ORMPGADPNWPRPG-KCEJKJBJSA-N 382.444 5.537 50 50 GKGA N#C/C(=C\Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2)cs1 4817199 NTBSYQZLDQIWCC-JLHYYAGUSA-N 382.832 5.348 50 50 GKGA N#C/C(=C\c1c[nH]nc1-c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 5042175 NGUMVRYLURGRPW-CXUHLZMHSA-N 399.435 5.173 50 50 GKGA Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1C 15012358 VHCZEXAGRDIZDB-UYRXBGFRSA-N 389.886 5.602 50 50 GKGA C[Si](C)(CC[C@@H]1CC[C@@H]2O[C@@H]2C1)O[Si](C)(C)CC[C@@H]1CC[C@@H]2O[C@@H]2C1 215659330 UQOXIKVRXYCUMT-GFLQDLJJSA-N 382.693 5.328 50 50 GKGA in-vitro CCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OCC)cc3)cs2)cc1 4010367 XKEDMMAOSPGVHA-QGOAFFKASA-N 376.481 5.672 50 50 GKGA CCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OC)cc1 102290233 NYGISPOKSBCRJA-NJNXFGOHSA-N 388.596 6.627 50 50 GKGA CC[C@H]1[C@@H]2[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]3C(=O)[C@@H](C=O)C[C@@H]3[C@H]2C[C@H]1C 169830678 RGLARZROLVVNGQ-XIAHFCFYSA-N 378.629 5.099 50 50 GKGA CCCCCCc1ccc(-c2ccc(CCc3ccc(N=C=S)cc3)cc2)cc1 2504705 KXHHFPNEPTUIEF-UHFFFAOYSA-N 399.603 7.996 50 50 GKGA N#C/C(=C\c1ccccc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 4006039 ZPNAMLORHFNVLT-NTUHNPAUSA-N 391.710 6.834 50 50 GKGA N#C/C(=C/c1ccc(C(F)(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 34780349 RKLNKAFDAMERTN-XFFZJAGNSA-N 398.331 6.398 50 50 GKGA CC1(C)OB(c2cc(O[Si](C)(C)C(C)(C)C)c(Cl)cc2F)OC1(C)C 169746602 CWQFSWRDPKBURT-UHFFFAOYSA-N 386.776 5.162 50 50 GKGA C[C@@H](O[Si](C)(C)C(C)(C)C)c1ncc(CNC[C@@H](O)c2ccccc2)s1 225660624 DVJZDTPLEUPPDF-CRAIPNDOSA-N 392.641 5.049 50 50 GKGA CCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(C)cc2)cc1 253471083 LKLRDDAYIFLVOS-JJIBRWJFSA-N 380.488 5.025 50 50 GKGA Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2)cc1 409223222 DQJDKQGARIUYCB-QNGOZBTKSA-N 398.531 6.309 50 50 GKGA Cc1ccc(-c2csc(/C(C#N)=C\C=C\c3ccc([N+](=O)[O-])cc3)n2)c(C)c1 16513442 PAWSVVRNXYUHIB-ONCSWLTESA-N 387.464 5.956 50 50 GKGA CCCCCO[Si](OCCCCC)(OCCCCC)OCCCCC 169808113 KCTGOQZIKPDZNK-UHFFFAOYSA-N 376.654 6.249 50 50 GKGA C=CCSC1=C(C#N)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N1 4150137 UQZJNTIDSBGIKO-LJQANCHMSA-N 393.537 5.002 50 50 GKGA COc1ccc2[nH]c(/C(C#N)=C\c3cccc(OCc4ccc(F)cc4)c3)nc2c1 4755725 RBWWXIGXFXDTKF-WQRHYEAKSA-N 399.425 5.354 50 50 GKGA CCCCCOC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2Cl)o1 5061121 JOPLBBLJFXGSMU-QBFSEMIESA-N 378.255 5.894 50 50 GKGA N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)N1CCCCC1 663294 SNHFLNJQCALEPF-JLHYYAGUSA-N 375.255 5.173 50 50 GKGA CCn1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 6490262 JDCCZMUINUNSMI-LFYBBSHMSA-N 375.284 5.397 50 50 GKGA O=C(N/N=C/c1cccc2ccccc12)[C@@H]1CC1(c1ccccc1)c1ccccc1 2839343 ZQYVWFUYZABSRA-DYMLFOFBSA-N 390.486 5.296 50 50 GKGA C/C(=N\NC(=O)c1cc(C(C)C)cc(C(C)C)c1O)c1ccc(Cl)s1 4651714 XTOHCRSGFASUCG-CIAFOILYSA-N 378.925 5.508 50 50 GKGA CCCC/C(=N/NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(OCCC)cc1 17078644 AHZZSEIPXDLIJA-ZSYKKXJESA-N 385.335 5.070 50 50 GKGA N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1cccc(Cl)c1 6224861 JWOBRQYJZQVNKD-RVDMUPIBSA-N 384.660 6.427 50 50 GKGA C[C@]12CCC[C@@H]1[C@H]1CC=C3C[C@H](OC(=O)CBr)CC[C@]3(C)[C@@H]1CC2 254611240 VJRJIJYWEUTVEU-DOVHUEEUSA-N 395.381 5.646 50 50 GKGA O=C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 96021733 HXUHLJYSGJCHSG-UHFFFAOYSA-N 381.415 5.005 50 50 GKGA CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@](C)(CO)[C@@H]3CC[C@]12C 169748356 FUNLLIJOYNVIFA-WLSZRTTESA-N 380.645 5.181 50 50 GKGA COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1 1191371 RWHPWIKNSXQUSH-XMHGGMMESA-N 389.524 5.994 50 50 GKGA Cc1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3ccccc3)c3ccccc32)c1 1191640 QYCJJUSDKFVAJW-RCCKNPSSSA-N 391.474 5.544 50 50 GKGA Brc1ccccc1SSc1ccccc1Br 1664622 SGCNNRITIDAACO-UHFFFAOYSA-N 376.138 6.011 50 50 GKGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 4210045 MESZKNAXNHDMKJ-FSJBWODESA-N 386.282 5.165 50 50 GKGA CCCOc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1Br 5042152 YZYDZVLWYVMCNW-UVTDQMKNSA-N 382.261 5.178 50 50 GKGA CC1=C(C#N)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)C2=C(CC(C)(C)CC2=O)N1 628549 JQFMLDPXKIMQRF-NRFANRHFSA-N 392.886 5.728 50 50 GKGA CC(C)(C)OC(=O)n1c(Cl)cc2cc(O[Si](C)(C)C(C)(C)C)ccc21 261494191 RRALOZPMYZTBGY-UHFFFAOYSA-N 381.976 6.462 50 50 GKGA COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1cccs1 636784 AMZQEKHKENVTSB-LFIBNONCSA-N 395.867 5.693 50 50 GKGA CC(C)(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 17079224 DZUKBGLMFZOOFK-YBEGLDIGSA-N 388.294 6.095 50 50 GKGA O=P(O[C@H](c1ccc(F)cc1)C(F)(F)F)(c1ccccc1)c1ccccc1 2473156 CROLSFSRTGJEEP-LJQANCHMSA-N 394.304 5.375 50 50 GKGA CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 253470683 AKTFUSJEVKKGMI-QJOMJCCJSA-N 397.475 5.098 50 50 GKGA Cc1ccc(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1C 2898195 VMFIQYOTZQNNDX-CVKSISIWSA-N 382.463 5.139 50 50 GKGA N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc(-c2ccccc2)cs1 4954649 WBZXTBVLCPWLRO-FOWTUZBSSA-N 399.431 6.042 50 50 GKGA CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)c1 5059130 XBOWJMQCDPJQPS-STZFKDTASA-N 399.494 5.347 50 50 GKGA N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(-c2ccccc2)cs1 4954747 HBSKPJSJVSNCNT-SFQUDFHCSA-N 399.431 6.042 50 50 GKGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)o1 5028336 MKZCOAJUDRWYTL-GHRIWEEISA-N 391.434 5.381 50 50 GKGA CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1ccc(C(C)(C)C)cc1 17081075 ADOVOZJMJHFFRG-FOWTUZBSSA-N 396.512 5.156 50 50 GKGA C/C(=N\NC(=O)c1ccc(OCc2ccc(C)cc2)cc1)c1ccc(Cl)cc1 220981097 GZLNSXJVCMLDQK-KOEQRZSOSA-N 392.886 5.381 50 50 GKGA c1ccc(OCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 95676706 OFLDHSZCWMNBRI-UHFFFAOYSA-N 383.451 5.060 50 50 GKGA O=C(NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1)c1ccccc1Cl 2875028 IZXQGXPHDPMBGQ-YTEMWHBBSA-N 386.882 5.853 50 50 GKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](Cl)CC[C@H]4[C@H]3CC[C@H]12 253499699 QGKAISHZHFSWHC-XRWQXGRMSA-N 377.056 7.855 50 50 GKGA CCCC1CCC(c2ccc(C(=O)NNC(=O)c3ccccc3C)cc2)CC1 824559 CHXGPUOQKMTHTR-UHFFFAOYSA-N 378.516 5.144 50 50 GKGA BrCc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 1529104 WGMYJGAUAQXYFQ-UHFFFAOYSA-N 383.285 5.740 50 50 GKGA in-vitro N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)NCc1ccco1 16699591 TYRNFFPYGJBPIW-WQLSENKSSA-N 387.222 5.070 50 50 GKGA C[C@H](O[Si](C)(C)C(C)(C)C)c1ncc(CNC[C@H](O)c2ccccc2)s1 225660545 DVJZDTPLEUPPDF-YJBOKZPZSA-N 392.641 5.049 50 50 GKGA Cc1ccc2[nH]c(/C(C#N)=C/c3cn(Cc4ccccc4)c4ccccc34)nc2c1 4149696 QWEUBDIDLJUASV-XSFVSMFZSA-N 388.474 5.939 50 50 GKGA CSc1ccc(/C=C(/C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 34377789 MXCRYNCXYCNEBN-WQLSENKSSA-N 376.428 6.101 50 50 GKGA O=C(CCl)Nc1ccccc1Sc1ncc(C(F)(F)F)cc1Cl 1385677 DWOSPZCLEZPRCF-UHFFFAOYSA-N 381.206 5.082 50 50 GKGA CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H](C(C)=O)[C@H](Cl)C[C@H]32)C1 257358573 VEIABLNKNSOQQY-BEEPAOLHSA-N 392.967 5.303 50 50 GKGA O=C1c2ccccc2[C@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1CCCl 334163530 VZHVKADJQAIVEF-HSZRJFAPSA-N 386.882 5.619 50 50 GKGA CC(C)(C)[C@@H]1COC(C2=CCC[C@@H]2P(c2ccccc2)c2ccccc2)=N1 1857777432 IUDQOQVENLTUIH-VXKWHMMOSA-N 377.468 5.052 50 50 GKGA CC(=O)C1=C(C)NC(SCc2ccccc2)=C(C#N)[C@@H]1c1sccc1C 1199476 RMPLBQFFNDXNNE-IBGZPJMESA-N 380.538 5.275 50 50 GKGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/C(C)=C\c1ccccc1 102316060 QGDSGBJIRIVUEJ-RABKSQAHSA-N 399.579 5.229 50 50 GKGA CCCCCCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1 76945641 LVZSQWIWCANHPF-UHFFFAOYSA-N 377.525 6.982 50 50 GKGA in-vitro Cc1cccc2cc(/C=C(\C#N)c3nc(-c4ccccc4)cs3)c(Cl)nc12 4991687 ZTUQWVPBPXQUDJ-WOJGMQOQSA-N 387.895 6.384 50 50 GKGA CCOc1ccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1Br 5028021 OVQJFEFTYKPLOU-ZROIWOOFSA-N 382.261 5.097 50 50 GKGA Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)nc2c1 5028030 GPQLYFBAFRSVQY-YBEGLDIGSA-N 384.395 5.412 50 50 GKGA Clc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95713731 WHFQQMOBBNYMPG-UHFFFAOYSA-N 387.870 5.834 50 50 GKGA C[C@@H]1CCC[C@]2(C1)C(C#N)=C(SCC(=O)Nc1ccccc1)NC1=C2CCC1 1218527 PYGIGQXNGKWUKF-WAIKUNEKSA-N 393.556 5.331 50 50 GKGA N#C/C(=C\c1cccc(Oc2ccccc2)c1)c1nc(-c2ccccc2)cs1 4309305 KQUWAGUUPJFHNM-XSFVSMFZSA-N 380.472 6.667 50 50 GKGA N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])cc1 16345796 KNOJEFFUBUZYLZ-UNOMPAQXSA-N 390.826 5.891 50 50 GKGA ClC[C@H]1[C@H](CCl)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 113158307 FUZORIOHZSVKAW-QFPIVEJNSA-N 397.771 5.542 50 50 GKGA in-vitro N#C/C(=C\c1ccc(-c2ccccc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 4837641 QFTSHURRXBAVGW-SFQUDFHCSA-N 388.879 6.788 50 50 GKGA C[C@H](c1ccc(Br)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1 230542451 ZGMZEHJDDMDFKR-OAHLLOKOSA-N 398.461 5.996 50 50 GKGA COc1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4cc(C)c(C)cc4[nH]3)c2C)cc1 4810853 IXORQFLNMSQHBQ-MOSHPQCFSA-N 396.494 5.660 50 50 GKGA Cc1ccc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 4839061 STUITCYYSXEQEL-HZHRSRAPSA-N 378.500 6.850 50 50 GKGA CC(C)(C)[Si](C)(C)Oc1ccc(C(=O)O)cc1O[Si](C)(C)C(C)(C)C 196245644 DAFPRRCCBVQTTA-UHFFFAOYSA-N 382.649 6.153 50 50 GKGA Clc1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 94781589 FQCORUUEGHMUJZ-UHFFFAOYSA-N 387.850 6.149 50 50 GKGA N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1ccc(Cl)cc1Cl)Sc1ccccc12 850165 GPVMXVXTVZRQIL-QGZVFWFLSA-N 397.290 5.132 50 50 GKGA CCn1cc(C)c(/C=C(/C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)n1 32476179 FQQRYSMYDOZTON-WSVATBPTSA-N 378.545 5.200 50 50 GKGA CCCCCCCCCCCCCC(=O)N/N=C/c1cccc(OC)c1O 102287505 BXVRYSIOZFVYLE-PTGBLXJZSA-N 376.541 5.552 50 50 GKGA c1ccc([C@H]2COC([C@@H]3CCC[C@H]3P(c3ccccc3)c3ccccc3)=N2)cc1 1857524000 VOFZBWQJOJWJTC-UBFVSLLYSA-N 399.474 5.458 50 50 GKGA CCN(CC)c1ccc(/N=N/c2ccc(S(F)(F)(F)(F)F)cc2)cc1 258830755 HVKGOVZKPPKNET-GHVJWSGMSA-N 379.398 7.606 50 50 GKGA O=C(CCl)N(CC1=CCCCC1)Cc1cc(-c2ccc(Cl)cc2)on1 1875384747 WDWZNOGWGLJEBR-UHFFFAOYSA-N 379.287 5.063 50 50 GKGA COc1ccc(-c2csc(/C(C#N)=C/c3cccc(Cl)c3)n2)cc1OC 5008824 GGRFIJWRKAHJHG-OVCLIPMQSA-N 382.872 5.545 50 50 GKGA CCCCCCCCCCCCCCCCCCCCCCBr 6921162 QYOXLKAKUAASNA-UHFFFAOYSA-N 389.506 9.203 50 50 GKGA in-vitro CC(C)c1ccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n[nH]2)cc1 16956697 FSPULGBRPGKTSV-MFKUBSTISA-N 382.467 5.117 50 50 GKGA O=C(c1cccc2ccccc12)c1cn(CCCCCCl)c2ccccc12 71789404 NZQRTHJPVKPTBV-UHFFFAOYSA-N 375.899 6.435 50 50 GKGA in-vitro O=C(N/N=C/c1[nH]c2ccccc2c1Cl)c1sc2ccccc2c1Cl 2282070 MHEFWASWFLVIDG-ZVBGSRNCSA-N 388.279 5.453 50 50 GKGA Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 4722900 XTZMIWYCSVQTSD-GXDHUFHOSA-N 397.261 6.108 50 50 GKGA COc1cccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 22023094 ZLDNLDYPCSNODW-NTUHNPAUSA-N 387.291 6.190 50 50 GKGA CC(C)(C)OC(=O)NN=Cc1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)cc1 252679619 PFLIBMCNPSVODD-UHFFFAOYSA-N 396.487 5.062 50 50 GKGA ClC(Cl)=C(Cl)[C@@H](Cl)C#C[C@H](Cl)C(Cl)=C(Cl)Cl 3091470 SYOMTFHHGDWQAC-IMJSIDKUSA-N 381.728 5.976 50 50 GKGA CC(C)=C1CC[C@H]2CCC3=CC(=O)[C@H](C)C[C@@]3(C1)[C@@H]2O[Si](C)(C)C(C)(C)C 257355917 DNPHHNHRYIWEKM-UFRRYBOJSA-N 388.668 6.829 50 50 GKGA CCCCCCCCCCCCCC(=O)N/N=C/c1cccc2ccccc12 102289391 GVLNVXKUCBOVPW-YYADALCUSA-N 380.576 6.991 50 50 GKGA O=C(COc1ccccc1Cl)N/N=C/c1c2ccccc2cc2ccccc12 2571753 MORSICLSSMLRIZ-AFUMVMLFSA-N 388.854 5.176 50 50 GKGA CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2ccc(Cl)cc2)cc1OC 12364194 XZLOPKRPJRZLFQ-WPBJZHHJSA-N 376.283 6.243 50 50 GKGA N#CC1=C(N)OC2=C(CCC/C2=C\c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 705956 XMKGLPWYAUOSND-CZIOWHBQSA-N 376.406 5.294 50 50 GKGA CCn1c2ccccc2c2cc(/C=C(\C#N)c3nc4cc(C)ccc4[nH]3)ccc21 5028292 JBHPYTRRMUFOAL-QGOAFFKASA-N 376.463 6.063 50 50 GKGA COc1ccc(-c2cc(C(=O)Cl)c3cc(Br)ccc3n2)cc1 6245029 DGHPLVZBGJSHAZ-UHFFFAOYSA-N 376.637 5.052 50 50 GKGA C[C@@H]1CCC[C@@]2(C1)C(C#N)=C(SCC(=O)Nc1ccccc1)NC1=C2CCC1 1218529 PYGIGQXNGKWUKF-MWTRTKDXSA-N 393.556 5.331 50 50 GKGA CCSC1=C(C#N)[C@H](c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N1 1229070 YAPVNSAZOYUOLW-LJQANCHMSA-N 395.553 5.144 50 50 GKGA CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)s2)cc1 17079444 GFUDPFNULQIYTH-SDNWHVSQSA-N 389.318 5.399 50 50 GKGA CCc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2C)cc1 1192068 UAGOBHXKZWREDJ-XSFVSMFZSA-N 387.458 5.341 50 50 GKGA CCC(=NNC(=O)[C@H](CC)Sc1nc2ccccc2s1)c1ccccc1 245239232 GSRKZWPPKBOZEB-KRWDZBQOSA-N 383.542 5.098 50 50 GKGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc2ccccc12 752432 SDOFUWGGNPWURO-UUOWRZLLSA-N 392.458 5.048 50 50 GKGA N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccc(C(=O)O)cc1 2890971 KDIMTKYNZDBTGR-PTNGSMBKSA-N 387.420 5.069 50 50 GKGA c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 1729397 XGCDBGRZEKYHNV-UHFFFAOYSA-N 384.399 5.210 50 50 GKGA biogenic,in-vitro C[C@]12CCC[C@@H]1[C@H]1CC=C3C[C@@H](OC(=O)C(Cl)Cl)CC[C@]3(C)[C@@H]1CC2 254899163 WQWFFYCDRORWHD-YKHZUEPJSA-N 385.375 6.055 50 50 GKGA N#C/C(=C/Nc1ccccc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 16513616 DQVRYPAGPLXSFZ-PGMHBOJBSA-N 379.488 6.454 50 50 GKGA CCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(C)c2)cc1 2325809579 LDKUMGFMIJKWKT-JJIBRWJFSA-N 380.488 5.025 50 50 GKGA CC(=O)C1=C(C)NC(SCc2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccccc1 4786217 NBUGNYYQXYEAQO-OAQYLSRUSA-N 394.927 5.558 50 50 GKGA O=C(N/N=C/c1ccc(Cl)cc1)c1ccccc1OCc1ccc(Cl)cc1 3277602 GHZLQAPTVRJVEM-ZMOGYAJESA-N 399.277 5.336 50 50 GKGA CC1(C)CC(=O)C2=C(C1)OC(n1cccc1)=C(C#N)[C@@H]2c1c(F)cccc1Cl 4751364 XUIYISMMAGIXFV-GOSISDBHSA-N 396.849 5.430 50 50 GKGA CC(C)Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc4ccccc34)[nH]n2)cc1 4981208 HNLWKJUGKOQCIP-WGOQTCKBSA-N 396.494 5.192 50 50 GKGA CCc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 2214260 ZNEAILNDMOZFDR-YZSQISJMSA-N 379.463 5.228 50 50 GKGA Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1 13809937 HLDJTJBRGVWWPJ-QNGOZBTKSA-N 398.510 5.014 50 50 GKGA CCCCP(=O)(CCCC)CCP(=O)(c1ccccc1)c1ccccc1 3082429 GIDJEHPJTUBUMN-UHFFFAOYSA-N 390.444 5.964 50 50 GKGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1sc2ccccc2c1Cl 1885500 VJAMDMXBVBKQPE-DNTJNYDQSA-N 383.687 5.625 50 50 GKGA CC1=C(C#N)[C@@H](c2ccccc2OC(C)C)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 19770376 CERIFGDJDRSVNA-KBMIEXCESA-N 398.506 5.359 50 50 GKGA Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1cccc2ccccc12 1100978 PMMOYRYOAFEZJY-CJLVFECKSA-N 391.474 5.793 50 50 GKGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 2213100 ZEHYFHAAMPKBQD-YZSQISJMSA-N 395.462 5.064 50 50 GKGA C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccc(Cl)cc1Cl 2901513 VCVUKRAIDZHWCJ-ZXCVBSDHSA-N 387.266 5.064 50 50 GKGA C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC/C2=N/NC(=O)c1ccncc1 1772491777 NWHPXJRIVOPQQQ-ZIKOAINVSA-N 393.575 5.600 50 50 GKGA N#C/C(=C\c1cc(Cl)c(O)c(Cl)c1)c1nc(-c2cccs2)cs1 4851532 AFBKMJFRTLKHCM-ONNFQVAWSA-N 379.293 5.948 50 50 GKGA N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1ccc([N+](=O)[O-])cc1 13546750 UGPCQLKCHNGIHL-KAMYIIQDSA-N 382.828 6.057 50 50 GKGA c1ccc(C(SSC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 39260042 AKPLSMYRLYRCQN-UHFFFAOYSA-N 398.596 7.947 50 50 GKGA CC1(CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C=CCC=C1 101020842 IKMZPGFWXYQBMK-UHFFFAOYSA-N 383.495 5.893 50 50 GKGA Cc1ccc(C)c(-c2cc(C(=O)N/N=C/c3ccccc3)c3ccccc3n2)c1 2089660 WWACHTFFQQDZJL-WGOQTCKBSA-N 379.463 5.283 50 50 GKGA N#C/C(=C\c1cccc2ccccc12)c1nc2cc(C(F)(F)F)ccc2s1 5041387 WYOQUZZTZWIWPR-XNTDXEJSSA-N 380.394 6.532 50 50 GKGA O=C(CCCCl)Nc1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1 3048910 JESXMGRUTBJEHK-UHFFFAOYSA-N 393.192 5.504 50 50 GKGA COc1ccc(-c2csc(/C(C#N)=C\c3ccc(-c4ccccc4)cc3)n2)cc1 4791649 FYMYJMRAWLNMSM-JCMHNJIXSA-N 394.499 6.550 50 50 GKGA N#C/C(=C\c1ccc(F)cc1)c1nc(-c2cccc(Br)c2)cs1 4839276 GELGDSOIBSGLOE-RIYZIHGNSA-N 385.261 5.776 50 50 GKGA C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)C1 4950263 GYPLPWYSZCJUIF-JSLIBFJXSA-N 384.523 5.397 50 50 GKGA CCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(C)c2)cc1 102282980 CFZLHIAEOLNXOH-XIEYBQDHSA-N 394.515 5.415 50 50 GKGA COC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCc1cccc(C(F)(F)F)c1 17080923 ZZHNGRKUDRTRJK-ZSOIEALJSA-N 395.764 5.018 50 50 GKGA Cl[C@H](SS[C@H](Cl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 100438275 SAPVRZJHCTUGIW-XIXRPRMCSA-N 397.818 6.238 50 50 GKGA COc1ccc(C2=C(C=O)[C@H](c3ccccc3C)c3ccccc3O2)cc1OC 1216317 BNULJCAUAVYODA-XMMPIXPASA-N 386.447 5.147 50 50 GKGA O=C(NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 3158696 ZVTFHXONPDLHGK-UHFFFAOYSA-N 392.458 5.095 50 50 GKGA O=C(N/N=C/c1cccc(Cl)c1)c1ccc(OCc2ccc(Cl)cc2)cc1 4360487 PHRQSXNOZUVKCM-ZMOGYAJESA-N 399.277 5.336 50 50 GKGA CC(/C=N/NC(=O)c1cc(-c2ccccc2O)nc2ccccc12)=C\c1ccco1 5909288 JVPAMIKRNXIUQX-NZIVSPSTSA-N 397.434 5.020 50 50 GKGA C(=C/c1ccccc1)\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95731053 CWZRWDUCONVNAX-DTQAZKPQSA-N 379.463 5.694 50 50 GKGA in-vitro O=C(N/N=C/c1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12 1692330 DDOJVMQCMWJWBI-MFKUBSTISA-N 385.854 5.319 50 50 GKGA N#C/C(=C\Nc1ccccc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1774545 XYODGJIZSFCWMK-JLHYYAGUSA-N 382.832 5.348 50 50 GKGA Fc1ccc(-c2cc3nc(C(Cl)Cl)nc(-c4ccc(F)cc4)n3n2)cc1 1775976156 KMQWZJPLLNPXKN-UHFFFAOYSA-N 391.208 5.213 50 50 GKGA CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1nc(-c2ccccc2)cs1 17079507 JDZSPHPPVZBDEX-LDADJPATSA-N 389.480 5.143 50 50 GKGA C[P+](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 95676705 ITPUYOMXIFNXBE-UHFFFAOYSA-N 380.662 5.571 50 50 GKGA C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 100100012 WTHGNZFUARPIKT-DNBCXDNYSA-N 396.918 5.195 50 50 GKGA Cc1ccc(-c2cc(C(=O)N/N=C/[C@H]3C[C@H]4C=C[C@H]3C4)c3ccccc3n2)cc1 101126989 MIMQTSZUPNOIGL-MIGGDPJFSA-N 381.479 5.138 50 50 GKGA Cc1cc(C)c(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c(C)c1 2894914 RCLFTQLYVDPQSP-FXZATJRASA-N 382.507 5.068 50 50 GKGA N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc2ccccc2[nH]1 13777775 QBVZGXUTVCTABJ-FMIVXFBMSA-N 380.234 6.194 50 50 GKGA N#C/C(=C/Nc1ccccc1F)c1nc(-c2cc3ccccc3oc2=O)cs1 100411327 PQYQHNCKGDMJFB-KAMYIIQDSA-N 389.411 5.032 50 50 GKGA N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccccc1Cl 5042160 FMJAJCGIELOGDP-QBFSEMIESA-N 377.856 6.025 50 50 GKGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc2ccccc12 752431 SDOFUWGGNPWURO-KOSHJBKYSA-N 392.458 5.048 50 50 GKGA CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@H]2[C@H]3CCC(=O)[C@](C)(CO)[C@@H]3CC[C@]12C 169748358 FUNLLIJOYNVIFA-CTQFTRLHSA-N 380.645 5.181 50 50 GKGA Cc1cc(C(C)(C)C)cc(C)c1SSc1c(C)cc(C(C)(C)C)cc1C 95774487 MFNGAMRVCCZXCD-UHFFFAOYSA-N 386.670 8.315 50 50 GKGA N#C/C(=C\c1c2ccccc2cc2ccccc12)c1ccc(Br)cc1 2549182 ZFLLZXFMUCIAEX-XMHGGMMESA-N 384.276 6.820 50 50 GKGA CCOc1c(C=C(C#N)C#N)c2ccccc2n1-c1c(Cl)cccc1Cl 754593 RHPRCDYKUIMNJT-UHFFFAOYSA-N 382.250 5.767 50 50 GKGA O=C(c1cccc2ccccc12)c1nn(CCCCCCl)c2ccccc12 575598527 KLRDJQQYGMTILS-UHFFFAOYSA-N 376.887 5.830 50 50 GKGA in-vitro COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c2ccccc12 1196890 BUWWRHYMWHJRQV-FOWTUZBSSA-N 376.843 5.356 50 50 GKGA Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc([N+](=O)[O-])cc3)n2)c(C)c1 4982529 FHBQVEKJARKYPV-RVDMUPIBSA-N 376.441 5.312 50 50 GKGA CC(/C=N/NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1)=C\c1ccccc1 4566732 ZYMXXQVVLASCOM-HXWVNQCUSA-N 399.281 5.203 50 50 GKGA COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 16384042 UCASDELVXSYAKL-NDENLUEZSA-N 386.407 5.247 50 50 GKGA N#CC1=C(N)OC2=C(CCC/C2=C\c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 705954 XMKGLPWYAUOSND-AUFJSOOLSA-N 376.406 5.294 50 50 GKGA CC(C)(C)C1CCC(OC(=O)OOC(=O)OC2CCC(C(C)(C)C)CC2)CC1 97949391 NOBYOEQUFMGXBP-UHFFFAOYSA-N 398.540 6.418 50 50 GKGA in-vitro N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)o1)c1nc2ccccc2[nH]1 4977821 JIWCDSDZLKNGDM-ACCUITESSA-N 377.856 6.025 50 50 GKGA aggregator COc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(C)c3C)n2)cc1OC 15659489 RYCZULMRVLLUJK-ATVHPVEESA-N 391.496 5.421 50 50 GKGA CCCCCCCCCCCCCC(=O)N/N=C/c1cc(OC)ccc1OC 102317082 YWCKWHYJXVEXRN-LYBHJNIJSA-N 390.568 5.855 50 50 GKGA Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)c(OCc3ccccn3)c(C)c2)cc1 206515000 ISBTYPNLLDHGNW-STZFKDTASA-N 397.478 5.132 50 50 GKGA N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccccc1 1187511 HVPYPUUUFIYCNB-JLHYYAGUSA-N 393.786 5.054 50 50 GKGA CCCCOc1cccc(-c2cc(C(=O)Cl)c3ccc(Cl)c(C)c3n2)c1 6042751 JZOCOYKYTZGLPX-UHFFFAOYSA-N 388.294 6.422 50 50 GKGA CC(C)Oc1ccc(Br)cc1/C=C(/C#N)c1nc2ccccc2[nH]1 12382776 BADFICFQMCZIFC-ZROIWOOFSA-N 382.261 5.177 50 50 GKGA C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@]2(C#N)O[Si](C)(C)C 253527963 XNDQYNDBLGVEDE-BEWOIHDRSA-N 385.624 5.632 50 50 GKGA CCOc1ccccc1-c1cc(C(=O)Cl)c2cc(Br)ccc2n1 6048684 ZFIAPLNJOOGSQV-UHFFFAOYSA-N 390.664 5.442 50 50 GKGA C[C@H](Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccc([S@@](C)=O)cc1 225602753 JAHFIIVVFGTXAV-BSNNYGBQSA-N 385.423 6.255 50 50 GKGA N#CC1=C(S)NC(=N)[C@H](c2nc(-c3ccccc3)cs2)C12CCCCC2 5450662 UWPXIEPPMYTAMU-MRXNPFEDSA-N 380.542 5.090 50 50 GKGA N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc([N+](=O)[O-])cc1 1857797414 QJRBANWUTCCJRD-UHFFFAOYSA-N 390.826 5.891 50 50 GKGA CC1(C)CC(=O)C2=C(C1)NC(S[C@@H]1C=CCCC1)=C(C#N)[C@@H]2c1ccccc1 3196551 XRCIRNSHKKYZJO-UTKZUKDTSA-N 390.552 5.594 50 50 GKGA Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2C)c(C)c1 1189434 QJVJADYQHJJVMR-DEDYPNTBSA-N 387.458 5.396 50 50 GKGA C=C(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1 2556957 GEGLBMPXRFOXTK-UHFFFAOYSA-N 396.410 5.723 50 50 GKGA CC(C)(C)OC(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 220980531 YRKWEACIYIOUNK-SSDVNMTOSA-N 395.286 5.431 50 50 GKGA ClC(Cl)=C(Cl)[C@H](Cl)C#C[C@@H](Cl)C(Cl)=C(Cl)Cl 3091473 SYOMTFHHGDWQAC-QWWZWVQMSA-N 381.728 5.976 50 50 GKGA CCCOc1cc(N(CC)CC)ccc1/C=C(/C#N)c1nc2cc(C)ccc2[nH]1 13125061 JUMIAJFEKXTUFO-RGEXLXHISA-N 388.515 5.571 50 50 GKGA CCCOc1ccc(Br)cc1/C=C(/C#N)c1nc2cc(C)ccc2[nH]1 4955662 JPOQEIWWWMHBTD-GDNBJRDFSA-N 396.288 5.487 50 50 GKGA Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc3c(c2)c2ccccc2n3C)c(C)c1 17080413 WISWTAKVIAGESD-DEDYPNTBSA-N 393.490 5.802 50 50 GKGA Cc1ccc2[nH]c(/C(C#N)=C\c3cc(Cl)c(O)c(Br)c3)nc2c1 5028022 WVXRMVYKPHXXCO-WZUFQYTHSA-N 388.652 5.057 50 50 GKGA FS(F)(F)(F)(F)c1ccc2[nH]c(-c3cccc(Br)c3)cc2c1 103860930 HLGUMKUSCGBBKP-UHFFFAOYSA-N 398.194 7.255 50 50 GKGA N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cccc(Oc2ccc(Cl)cc2)c1 1029260 SFGWETQOPNTTFC-OAQYLSRUSA-N 390.826 5.056 50 50 GKGA N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1cccc([N+](=O)[O-])c1 4739782 YBZHDFKEYVQPSF-RVDMUPIBSA-N 395.212 5.681 50 50 GKGA COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OC 2849182 PVHCHKKGEZUTAZ-NTUHNPAUSA-N 378.653 5.184 50 50 GKGA C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)C1 4950256 GYPLPWYSZCJUIF-XJTOKFSHSA-N 384.523 5.397 50 50 GKGA N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc([N+](=O)[O-])cc1 12363426 QJRBANWUTCCJRD-UYRXBGFRSA-N 390.826 5.891 50 50 GKGA N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(Cl)cc1 4724300 XPLIIMNJJRYABU-LCYFTJDESA-N 385.206 6.226 50 50 GKGA COc1ccc(-c2cc(C(=O)Cl)c3ccc(Cl)c(C)c3n2)cc1OC 6254491 NDMGQZOGENQWKV-UHFFFAOYSA-N 376.239 5.260 50 50 GKGA CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/CC/C(C)=N\NC(N)=O 584904280 SFOCYFZQHHWIRZ-XOJGADOWSA-N 387.612 6.336 50 50 GKGA N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc2ccccc2s1 5014119 WBXWEAFXRZUIFS-FMIVXFBMSA-N 397.286 6.927 50 50 GKGA N#C/C(=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1ccc(F)cc1 4759672 PAMVZUDSKROARJ-WJDWOHSUSA-N 386.382 5.184 50 50 GKGA N#C/C(=C/c1ccccc1OCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 16361154 YXCKCNRHGAJHET-UYRXBGFRSA-N 390.826 5.891 50 50 GKGA O=C(NNc1ccc(C(F)(F)F)cn1)c1cc(-c2ccccc2)ccc1Cl 132091479 MGPLRIXDVQUHBE-UHFFFAOYSA-N 391.780 5.178 50 50 GKGA c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 1539578 QFMZQPDHXULLKC-UHFFFAOYSA-N 398.426 5.252 50 50 GKGA biogenic,in-vivo C=C/C(=C\C=C(/C)F)NC(=O)/C(C#N)=C\c1cc(Cl)cc(Cl)c1Cl 4892683 VDYWFYQSDOLDEN-WTYRKDESSA-N 385.653 5.613 50 50 GKGA N#C/C(=C/Nc1cc(Cl)cc(Cl)c1)c1nc(-c2ccc(F)cc2)cs1 15659399 IOTWKRCLBOEVSU-XFXZXTDPSA-N 390.270 6.233 50 50 GKGA CCCCCCCCCCCCCC(=O)N/N=C/c1c(Cl)cccc1Cl 102287755 PEUHIZOVGYKXTE-JJIBRWJFSA-N 399.406 7.145 50 50 GKGA CC(C)=C1[C@H]2c3c(F)c(F)c(F)c(F)c3[C@H]1[C@H]1[C@H](Cl)C=C[C@@H](Cl)[C@@H]21 257346868 CCWKSRTXLNRHSM-NIXUXMNCSA-N 377.208 5.791 50 50 GKGA N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1ccccc1 1212258 GXLAFNWGYGKMJJ-JLHYYAGUSA-N 393.786 5.054 50 50 GKGA CCn1c2ccccc2c2cc(/C=N/NC(=O)[C@H]3C[C@H]3c3ccccc3)ccc21 4180664 UBUJBWSZVKWEIS-KPSVILNLSA-N 381.479 5.068 50 50 GKGA N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(-c2ccco2)cs1 4539907 IFDNGKCGZSCNCY-GXDHUFHOSA-N 389.392 5.635 50 50 GKGA CCCCCCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 100647828 GWMHYUGBAUSRHM-NCELDCMTSA-N 380.532 5.856 50 50 GKGA CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C(=O)C[C@]3(C)O)C(C=O)=CC[C@@H]12 2332918242 PLWMYIADTRHIMY-YMFTYUKWSA-N 386.576 5.277 50 50 GKGA Cc1ccc2nc(/C(C#N)=C\c3cc(Br)ccc3OC(C)C)[nH]c2c1 6628499 RHXPBSKCDJSIHH-DHDCSXOGSA-N 396.288 5.485 50 50 GKGA CC(C)=C1[C@H]2c3c(F)c(F)c(F)c(F)c3[C@H]1[C@@H]1[C@H](Cl)C=C[C@@H](Cl)[C@@H]21 257346866 CCWKSRTXLNRHSM-MMCIIUSJSA-N 377.208 5.791 50 50 GKGA COc1cc(CC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)ccc1C 170593817 ZYFHLVOPBNMUEZ-UHFFFAOYSA-N 381.366 5.842 50 50 GKGA Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1/C=C(\C#N)c1ccccn1 4001952 OGBRAGBAHYLPNO-MDWZMJQESA-N 382.250 5.022 50 50 GKGA COc1cc(/C=C(/C#N)c2ccc(F)cc2)cc(Cl)c1OCc1ccccc1 5051123 LRNZMCQLJHOGQV-ODLFYWEKSA-N 393.845 6.131 50 50 GKGA C/C(=N\NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1ccc2ccccc2c1 5126172 IRGQDWFEWXJAIL-ZVHZXABRSA-N 388.858 5.037 50 50 GKGA COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 1190993 BRPLBXAJEFWXLN-NTCAYCPXSA-N 378.815 5.154 50 50 GKGA N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccc(Cl)cc1 2849392 XFYODDMPQXBGCM-NTEUORMPSA-N 384.218 6.016 50 50 GKGA CN(C)[C@@H]([C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)c1ccccc1 100032605 XGEPNGYYHLHUEJ-AREMUKBSSA-N 382.467 5.155 50 50 GKGA CCCCCCCCCCCCCCOc1ccccc1NC(=O)CCl 101022768 OPQIDDJLKSFRCY-UHFFFAOYSA-N 381.988 6.944 50 50 GKGA CCc1ccc([C@H]2C(C#N)=C(SCc3ccccc3)NC(C)=C2C(C)=O)cc1 1199474 JKTUNWQXGOBBLR-QHCPKHFHSA-N 388.536 5.467 50 50 GKGA N#CC1=C(SCc2cccc3ccccc23)NC(=O)[C@@H](C#N)C12CCCCC2 715875 OEBGOQGPFBOGQX-LJQANCHMSA-N 387.508 5.028 50 50 GKGA CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)c1 5059278 VGQNLXNQJRHDNB-STZFKDTASA-N 399.494 5.347 50 50 GKGA COc1ccc(Cl)cc1-c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)o1 4854403 AOQNXPRHOZIKEW-JLHYYAGUSA-N 375.815 5.549 50 50 GKGA O=C1c2ccccc2CC[C@]1(Br)[C@H](Br)c1ccccc1 1744909 IXNZDXYMRGOCOZ-WBVHZDCISA-N 394.106 5.085 50 50 GKGA C/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 4948937 IDVFRHSDFQOTNP-ZVHZXABRSA-N 383.278 5.814 50 50 GKGA CCCCCCCCCCCCCC(=O)N/N=C/c1cccc(Cl)c1Cl 102288024 CEEJYVUSLABHHV-JJIBRWJFSA-N 399.406 7.145 50 50 GKGA N#C/C(=C\c1ccc(N2CCC(C(F)(F)F)CC2)cc1)c1ccc(Cl)cc1 263639955 PRNSTOXQIRSQOO-GHRIWEEISA-N 390.836 6.183 50 50 GKGA CC(=O)Nc1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1 6415168 INFNPFBDXGVHOP-SFQUDFHCSA-N 388.496 5.362 50 50 GKGA Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1-c1ccncc1 16115632 KSGVJCJUCUNCDG-WQRHYEAKSA-N 378.273 5.316 50 50 GKGA Cc1cccc(COc2ccc(/C=C(\C#N)c3nc4ccccc4s3)cc2)c1 5050192 VGPZLRJYJDPUGM-XSFVSMFZSA-N 382.488 6.248 50 50 GKGA N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1cccc([N+](=O)[O-])c1 16384089 YALVPIYSKCWUFH-KAMYIIQDSA-N 398.896 6.525 50 50 GKGA C=C[C@@]12CC[C@@H](C[C@@]1(O)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)CCC1)C2(C)C 169832874 FHDSLSJYUUVTNU-DHNNRRLOSA-N 376.657 6.231 50 50 GKGA N#C/C(=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1nc2ccccc2[nH]1 4978815 IANFGIQBIXIETQ-LDADJPATSA-N 396.406 5.114 50 50 GKGA CCOc1ccccc1/C=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 5008893 TYWZWMILKBPCEG-CXUHLZMHSA-N 376.437 5.002 50 50 GKGA N#C/C(=C\c1ccc(Br)cc1)c1nc(-c2ccc(F)cc2)cs1 3998001 QNKLLADKMBIGLK-NTEUORMPSA-N 385.261 5.776 50 50 GKGA O=C(N/N=C/c1cccc(Cl)c1Cl)c1sc2ccccc2c1Cl 5685476 IJVKTVUNEZHERY-DNTJNYDQSA-N 383.687 5.625 50 50 GKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccco1 102290135 UZHUIYGJBVAYNG-DARPEHSRSA-N 376.585 6.991 50 50 GKGA N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(C#N)cc1 2864267 ONBIFFIGLIYWDI-CPNJWEJPSA-N 378.460 5.537 50 50 GKGA N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccco1)c1nc2ccccc2s1 6496294 OTGQKCQPCDRFHF-DTQAZKPQSA-N 394.459 5.806 50 50 GKGA CC(/C=N/NC(=O)CCn1c2c(c3ccccc31)CCCC2)=C\c1ccccc1 12464770 CUKLCIJFMMPRFA-ZKQKEKEQSA-N 385.511 5.116 50 50 GKGA O=P(O[C@@H](c1ccccc1)C(F)(F)F)(c1ccccc1)c1ccccc1 2900660 DITGAOFNYAFBJO-IBGZPJMESA-N 376.314 5.236 50 50 GKGA O=C(NN=C1CCCCCCCCCCC1)c1ccc(Br)s1 17078649 GDKNCNBTQMNNIJ-UHFFFAOYSA-N 385.371 5.901 50 50 GKGA C(\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=N/C1CCCCC1 102315200 LRBKAGWHIXGZID-SZXQPVLSSA-N 386.499 5.384 50 50 GKGA O=C(N/N=C/c1cccs1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2764650 ACASZNIEUNJABO-YDZHTSKRSA-N 391.883 5.381 50 50 GKGA N#C/C(=C\c1ccc(F)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 4147095 KBUMIXKJECXOCU-KGENOOAVSA-N 382.463 6.680 50 50 GKGA CCOC(=O)/C(C#N)=C\c1ccc(OC)c(COc2ccc(C(C)(C)C)cc2)c1 6401449 RLIQVURULJMSPG-AQTBWJFISA-N 393.483 5.042 50 50 GKGA Cc1cc2nc(/C(C#N)=C\c3ccc(N(C)C)c(Br)c3)[nH]c2cc1C 4811047 ALONIUDSZKGJNY-DHDCSXOGSA-N 395.304 5.072 50 50 GKGA COC(=O)C1=C(C)CCC[C@@]1(C)CCC1=CCC[C@H]1O[Si](C)(C)C(C)(C)C 169829892 IDQQECRJGBNFGJ-XXBNENTESA-N 392.656 6.557 50 50 GKGA CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cccs3)cs2)cc1OC 4538966 KMKYZGBFHGPRJI-LFIBNONCSA-N 396.537 6.123 50 50 GKGA Cc1ccc2nc(/C(C#N)=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)[nH]c2c1 5234272 WZLJUBGVCPZEMA-NTEUORMPSA-N 394.261 6.502 50 50 GKGA N#C/C(=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccccc2)cs1 4903507 QKHXCGRISZGLTK-PXLXIMEGSA-N 394.499 6.453 50 50 GKGA CS[C@H]1CC[C@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1 170594547 SMBLUNKIXCLZLV-QWRGUYRKSA-N 376.416 5.750 50 50 GKGA Cc1sc(-n2c(C)cc(/C=C(\C#N)c3ccc(F)cc3)c2C)c(C(=O)O)c1C 6690850 HMSYUNZXDWIYPZ-VCHYOVAHSA-N 394.471 5.674 50 50 GKGA C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(C#N)O[Si](C)(C)C 1857524460 XNDQYNDBLGVEDE-LLFXUEIYSA-N 385.624 5.632 50 50 GKGA COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3C)c2C)cc1 1191844 RZZYFOWRACRRJD-KGENOOAVSA-N 399.494 5.265 50 50 GKGA ClC[C@@H]1[C@H](CCl)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 2558650 FUZORIOHZSVKAW-ZBKCKJIOSA-N 397.771 5.542 50 50 GKGA Cc1cc(C)c(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(Cl)cc2)c(C)c1 17079821 ZGVQOHUZPZNDRB-LICLKQGHSA-N 390.874 5.201 50 50 GKGA COc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1 100024284 OPUDGUYBEAWTHN-UHFFFAOYSA-N 383.451 5.189 50 50 GKGA in-vitro COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccco1 943565 QXXHLXPKELKNOS-LFIBNONCSA-N 379.799 5.225 50 50 GKGA C[C@H]1CCC[C@@]2(C1)C(C#N)=C(SCC(=O)Nc1ccccc1)NC1=C2CCC1 1218528 PYGIGQXNGKWUKF-HJPURHCSSA-N 393.556 5.331 50 50 GKGA Cc1ccc2[nH]c(/C(C#N)=C\c3ccccc3OCc3ccccc3Cl)nc2c1 4739794 SUEJJGKWFOPCCF-UYRXBGFRSA-N 399.881 6.168 50 50 GKGA CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cccs1 102289929 AAPBSXVZKJXBFJ-DARPEHSRSA-N 392.653 7.460 50 50 GKGA N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1 12363415 BXADWASHGXBABM-KAMYIIQDSA-N 398.896 6.525 50 50 GKGA N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1sccc1C#N 17077657 VZOYZLDYDKMTBK-NTEUORMPSA-N 379.828 5.079 50 50 GKGA CC(C)c1ccc(/C=N/NC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1 1469484 DOLAJXIXUHGSDO-YZSQISJMSA-N 387.527 5.184 50 50 GKGA N#C/C(=C\c1ccc(-c2ccc(C(F)(F)F)cn2)cc1)c1ccccc1Cl 263640139 ZBCUIHKKSOKNSE-LFIBNONCSA-N 384.788 6.485 50 50 GKGA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@H](Cl)[C@@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 253500048 VEIABLNKNSOQQY-LTIDGVFISA-N 392.967 5.303 50 50 GKGA biogenic CC(C)(C)[Si](C)(C)O[C@H]1CCC[C@]12C[C@H](Sc1ccccc1)C(=O)O2 169836777 JYIYMGYGYIYDPT-ZWOKBUDYSA-N 378.610 5.407 50 50 GKGA C=C1C[C@H]2[C@H](C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C2(C)C 169838074 GREDLYAZTYXYPM-KMDXXIMOSA-N 390.643 5.554 50 50 GKGA C[C@H](NC(=O)/C(C#N)=C/c1ccc2c(c1)c1ccccc1n2C)c1ccccc1 17077585 RHVGMOZRHXXTBH-TYSUYXETSA-N 379.463 5.116 50 50 GKGA O=[N+]([O-])c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 68563036 KBLHCHSLVSDURO-UHFFFAOYSA-N 398.402 5.404 50 50 GKGA biogenic CC(/C=N/NC(=O)c1cc(-c2ccc(CC(C)C)cc2)n[nH]1)=C\c1ccccc1 4600202 PGRDKJUBYDDWEE-VWJGAVSUSA-N 386.499 5.094 50 50 GKGA CC(C)Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C(C)C)cc3)[nH]n2)cc1 4994089 HHPXFYMIQXCNEJ-MFKUBSTISA-N 388.515 5.163 50 50 GKGA CCOc1cc(/C=C(/C#N)c2ccccc2Cl)c(Br)cc1OC 12364213 YUNBAKKMTLCVNZ-JYRVWZFOSA-N 392.680 5.574 50 50 GKGA C=CCCC[C@]1(O[Si](C)(C)C(C)(C)C)CC[C@@H](C)C(CCC(=C)C)=C1C 169834719 IHJVCYKKCDPBPW-YKSBVNFPSA-N 376.701 8.206 50 50 GKGA CC1(C)CC(=O)C2=C(C1)NC(S[C@H]1C=CCCC1)=C(C#N)[C@H]2c1ccccc1 3196561 XRCIRNSHKKYZJO-LAUBAEHRSA-N 390.552 5.594 50 50 GKGA CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](CBr)[C@@]4(C)CC[C@H]32)C1 257346850 BPLVWHHOFCJYCY-KQFCJCSDSA-N 381.398 5.975 50 50 GKGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C(C)/C=C/c1ccccc1 102295054 XGARSEOUUBOMNX-FOPYSWQWSA-N 399.579 5.229 50 50 GKGA CCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 2109301 WCWZDSZBTNRNGD-PCLIKHOPSA-N 399.450 5.048 50 50 GKGA CC(C)[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1nc2ccccc2n1C 217645858 AMFGVCMUYZFOQQ-BEFAXECRSA-N 391.606 5.101 50 50 GKGA biogenic N#C/C(=C\Nc1ccc2ccccc2c1)c1nc(-c2ccc3c(c2)OCO3)cs1 100497598 TWIZBYYZHIECNT-LDADJPATSA-N 397.459 5.669 50 50 GKGA CCOC(=O)/C(C#N)=C/c1ccc(OCCOc2ccc([C@@H](C)CC)cc2)cc1 2968648 ZGVXGMIYJKJDDG-SAGAUJLNSA-N 393.483 5.128 50 50 GKGA C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)C1 4950270 GYPLPWYSZCJUIF-QLFUFVIXSA-N 384.523 5.397 50 50 GKGA CCCCOc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 4210027 FHGYISCWDALXHP-KOEQRZSOSA-N 389.499 5.037 50 50 GKGA C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@]2(C#N)O[Si](C)(C)C 253527966 XNDQYNDBLGVEDE-JBAFQVTRSA-N 385.624 5.632 50 50 GKGA FS(F)(F)(F)(F)c1ccc2cc(-c3cccc(Br)c3)[nH]c2c1 103860934 AKGSHDVWSAFHFQ-UHFFFAOYSA-N 398.194 7.255 50 50 GKGA CCCOc1ccc(Br)cc1/C=C(/C#N)c1nc2ccccc2[nH]1 16671134 NXAIUQSRTPQCDW-UVTDQMKNSA-N 382.261 5.178 50 50 GKGA CCCSC1=C(C#N)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N1 17479848 IAYIXYXGGFTARK-LJQANCHMSA-N 395.553 5.226 50 50 GKGA O=C(N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccccc1 4260945 GPOUADYXBMKYLZ-JVWAILMASA-N 398.437 5.322 50 50 GKGA Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1C 5028259 MGLKCWULYHWUDI-WOJGMQOQSA-N 397.438 5.251 50 50 GKGA Cc1ccc2[nH]c(/C(C#N)=C\c3ccccc3OCc3ccccc3F)nc2c1 5028034 ZUUIKFQZZWTPJV-UYRXBGFRSA-N 383.426 5.654 50 50 GKGA O=C(Nc1cccc(Cl)c1)Nc1ccccc1OC(F)(F)[C@H](F)Cl 754135 MJSCABNXYCQQHZ-ZDUSSCGKSA-N 379.165 5.490 50 50 GKGA N#C/C(=C\c1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 4795761 NBZHSTCVXBJVOA-NTUHNPAUSA-N 391.710 6.834 50 50 GKGA C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1cccc2ccccc12 5024952 CZEZJXXJOCZZAU-OEAKJJBVSA-N 391.521 5.082 50 50 GKGA C=C1C[C@H]2[C@@H](C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C2(C)C 169838077 GREDLYAZTYXYPM-RBZQAINGSA-N 390.643 5.554 50 50 GKGA Cc1ccc(Oc2ccccc2/C=N/NC(=O)c2ccc(C(F)(F)F)cc2)cc1 4085030 SECWQXFFEWGMKG-VULFUBBASA-N 398.384 5.570 50 50 GKGA COc1ccc([C@H]2C(C#N)=C(N)Oc3c2sc2ccccc32)c2ccccc12 708676 AUFPCXPEXYRIMI-FQEVSTJZSA-N 384.460 5.281 50 50 GKGA Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c1 1195826 WVUGKLGWVZFZDT-FOWTUZBSSA-N 387.395 5.017 50 50 GKGA O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cc(-c2ccccc2)n[nH]1 4705516 XHCIFAQARFUFDV-WGOQTCKBSA-N 390.446 5.147 50 50 GKGA O=C/C(=C\Nc1c2ccccc2nc2ccccc12)c1nc2cc(Cl)ccc2o1 16525304 WXMGVBWGXMNBFI-WYMLVPIESA-N 399.837 5.835 50 50 GKGA N#Cc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 95676708 RAKNWILZSMGQQM-UHFFFAOYSA-N 378.435 5.052 50 50 GKGA O=S(=O)(SCn1c(=S)sc2ccccc21)c1ccc(Cl)cc1 639087 AGVIGGPJXAWFQS-UHFFFAOYSA-N 387.960 5.165 50 50 GKGA CCOc1ccccc1/C=C(\C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 4020287 LXDMGZRBQIPAGN-LFIBNONCSA-N 377.425 5.181 50 50 GKGA Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 4704988 RJEWRQDFWPKCSR-FOWTUZBSSA-N 387.395 5.017 50 50 GKGA CCCCCCCCCC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1 102289968 WKMRKWUJWGJKBA-LGUFXXKBSA-N 394.559 6.165 50 50 GKGA O=C(N/N=C/C=C/c1ccccc1)c1ccccc1OCc1ccc(Cl)cc1 4365511 VSRZAGGHTGOBOH-KCYFPNEXSA-N 390.870 5.348 50 50 GKGA N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2[nH]1 4864160 OCFNABARNURAIJ-XDJHFCHBSA-N 387.446 5.480 50 50 GKGA N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(Br)cc1 2877690 GPWZGTYKCUVZQE-KAMYIIQDSA-N 395.212 5.681 50 50 GKGA COc1ccc(/C(C#N)=C/c2ccc(-c3nc4ccccc4s3)o2)cc1OC 1123550 MGAWBKDDSICPSZ-RVDMUPIBSA-N 388.448 5.638 50 50 GKGA CCCCCCCCCCCCCC(=O)N/N=C/c1cccc(OC)c1OC 102316231 AQIXYWDEQQXYOT-LYBHJNIJSA-N 390.568 5.855 50 50 GKGA N#C/C(=C/c1cccn1-c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 4712294 GYJVPRKCEASDDB-PTNGSMBKSA-N 383.329 5.468 50 50 GKGA COC(=O)c1ccc(/C=C(\C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 5041661 IETQVAMHKIJCFG-MDWZMJQESA-N 388.370 5.166 50 50 GKGA Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(-c4cccc(Cl)c4Cl)o3)nc2c1 4713328 ZRXZQBSEPIOQOV-JLHYYAGUSA-N 394.261 6.502 50 50 GKGA C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1cccc(-c2ccccc2)c1 4947930 RZPCFKIDDCQIQI-ONUIUJJFSA-N 380.447 5.366 50 50 GKGA CCCC/C(=N\NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccccc1 15636365 BIDRUTJBAYJPOF-CZSVHLHGSA-N 396.534 5.703 50 50 GKGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccs1 102290979 CORICTIELVCHPJ-HAVVHWLPSA-N 393.597 5.016 50 50 GKGA O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 2898353 XGPSITMKPVXQGI-MFKUBSTISA-N 388.854 5.446 50 50 GKGA CC(C)(C)C1CCC(=NNC(=O)COc2ccc(-c3ccccc3)cc2)CC1 4372630 UIZYLNAQGCTQTN-UHFFFAOYSA-N 378.516 5.441 50 50 GKGA CC(C=NNC(=O)c1cc(C2CC2)nc2ccccc12)=Cc1ccc(C(C)C)cc1 2049332748 FETYVQWYLDKKEU-UHFFFAOYSA-N 397.522 6.055 50 50 GKGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1c2ccccc2cc2ccccc12 728576 INEZMZGOJOCSIS-HSZRJFAPSA-N 394.474 5.444 50 50 GKGA Cn1c(/C(C#N)=C\c2ccccc2OCc2cccc(Cl)c2)nc2ccccc21 12374257 RUKUJLMJRFVZSA-RGEXLXHISA-N 399.881 5.870 50 50 GKGA CCCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1 17081200 DQZITQNPMQKQPU-CPNJWEJPSA-N 396.918 6.072 50 50 GKGA C/C(CC(C)C)=N/O[Si](C)(O/N=C(\C)CC(C)C)O/N=C(\C)CC(C)C 169808791 RZPFCUACWXNGQN-KJUUBXHASA-N 385.625 5.871 50 50 GKGA COc1cccc(/C(C#N)=C/c2ccccc2Oc2ccc(Cl)cc2Cl)c1 6847905 UVQFFXGQJQEQDI-GZTJUZNOSA-N 396.273 6.858 50 50 GKGA Cc1ccc(-c2cc(C(=O)Oc3ccc([N+](=O)[O-])cc3)c3cccc(C)c3n2)cc1 2577081 UFRFHLJDSMYSPF-UHFFFAOYSA-N 398.418 5.646 50 50 GKGA O=P(O[C@H](c1ccccc1)C(F)(F)F)(c1ccccc1)c1ccccc1 2900661 DITGAOFNYAFBJO-LJQANCHMSA-N 376.314 5.236 50 50 GKGA Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)c(OCc2ccccn2)c(C)c1 206616298 UPDLXWWIBLRZAX-STZFKDTASA-N 397.478 5.132 50 50 GKGA N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)NCc1ccco1 1198472 KYBDPAIKGLUFHR-FMIVXFBMSA-N 387.222 5.070 50 50 GKGA Cc1ccsc1/C=C(/C#N)c1nc(-c2ccc(Br)cc2)cs1 4071202 HGYAZVOLWQSKFD-JYRVWZFOSA-N 387.327 6.007 50 50 GKGA N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)c1nc2ccccc2s1 4604746 OSRPYTKIUJPLIH-QGOAFFKASA-N 386.451 6.079 50 50 GKGA CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)CCCl)c1ccccc1CC2 1814925 JGBHZKBZBKTGGI-UHFFFAOYSA-N 386.879 5.036 50 50 GKGA O=C(Cc1cccc2ccccc12)N/N=C/c1cccc(OCc2ccccc2)c1 2573345 VWYMUCAHTBOERF-OVVQPSECSA-N 394.474 5.112 50 50 GKGA C[C@@H](N[C@H](C)C1CCC(CO[Si](C)(C)C(C)(C)C)CC1)c1ccccc1 205418355 HSNLWMTVQLXSCZ-NDUMYTTKSA-N 375.673 6.554 50 50 GKGA in-vitro Cl[C@@H](SS[C@H](Cl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 100438281 SAPVRZJHCTUGIW-LWMBPPNESA-N 397.818 6.238 50 50 GKGA BrCC1C(c2ccccc2)C(CBr)C1c1ccccc1 101002617 SWIOZDSVKHZMMT-UHFFFAOYSA-N 394.150 5.590 50 50 GKGA CCCCC[C@@H]1c2ccccc2C(O)=C(C(=O)N/N=C/c2ccccc2F)[C@@H]1C 18154177 IZSIJVJPMUPACO-IALAJMTQSA-N 394.490 5.559 50 50 GKGA N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(C(=O)O)cc1 2886268 FJKXTDFQZJFRCM-MOSHPQCFSA-N 389.838 5.681 50 50 GKGA N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccc([N+](=O)[O-])cc1 5014256 PVYPXUSCJKUEGQ-NTEUORMPSA-N 394.770 5.271 50 50 GKGA ClC[C@@H]1[C@@H](CCl)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 3127723 FUZORIOHZSVKAW-MUBRXSNZSA-N 397.771 5.542 50 50 GKGA COc1ccccc1/C=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 4020376 KBDSELDPXVSVLM-PXLXIMEGSA-N 394.499 6.550 50 50 GKGA C[C@@H](NC(=O)/C(C#N)=C/c1ccc2c(c1)c1ccccc1n2C)c1ccccc1 17077584 RHVGMOZRHXXTBH-HDAKKWKLSA-N 379.463 5.116 50 50 GKGA C=C(CCOCOC)[C@@]12C[C@@]3(C)CC[C@H]1[C@@](O[Si](C)(C)C(C)(C)C)(C3)O2 169832033 LYANQQLENKCWHP-PBASOCQRSA-N 382.617 5.250 50 50 GKGA N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Br)cc1 4808236 WIMDTDVAOKBCKO-PTNGSMBKSA-N 395.212 5.681 50 50 GKGA C1=C(C2=N[C@H](c3ccccc3)CO2)[C@@H](P(c2ccccc2)c2ccccc2)CC1 1857524001 BCVFPCKWOCFXFQ-DQEYMECFSA-N 397.458 5.378 50 50 GKGA C(=C\c1ccccc1)\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100023583 CWZRWDUCONVNAX-SSZFMOIBSA-N 379.463 5.694 50 50 GKGA O=C(Cc1cccc2ccccc12)N/N=C/c1c2ccccc2cc2ccccc12 2901888 KNCSJZSLIZEWPJ-MTDXEUNCSA-N 388.470 5.839 50 50 GKGA O=[N+]([O-])c1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97943313 DWLFWZIJRJBNDY-UHFFFAOYSA-N 398.422 5.089 50 50 GKGA C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(C#N)O[Si](C)(C)C 252695272 XNDQYNDBLGVEDE-PCEJQYDGSA-N 385.624 5.632 50 50 GKGA biogenic C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C#N)O[Si](C)(C)C 253527964 XNDQYNDBLGVEDE-HZMAHWLLSA-N 385.624 5.632 50 50 GKGA C[C@@]12CCC[C@@H]1[C@H]1CC=C3C[C@H](OC(=O)C(Cl)Cl)CC[C@]3(C)[C@@H]1CC2 254899161 WQWFFYCDRORWHD-LKTQXZJLSA-N 385.375 6.055 50 50 GKGA C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccc(Cl)cc1Cl 2901515 VCVUKRAIDZHWCJ-GHONEHJGSA-N 387.266 5.064 50 50 GKGA CCc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 5008798 ZZOUVSUXENWLLH-OQLLNIDSSA-N 385.319 6.743 50 50 GKGA CCn1c2ccccc2c2cc(/C=N/NC(=O)[C@H]3C[C@@H]3c3ccccc3)ccc21 4180663 UBUJBWSZVKWEIS-QIRGUNERSA-N 381.479 5.068 50 50 GKGA N#C/C(=C\c1ccc(-c2ccccc2C#N)o1)Sc1nc2ccccc2s1 1076857 HWFJDOLVGMUFIH-LFIBNONCSA-N 385.473 6.085 50 50 GKGA COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 1190882 JWPSVROXVXXIQC-KGENOOAVSA-N 399.494 5.265 50 50 GKGA O=C(Cl)c1cc(-c2ccc(Br)cc2)nc2ccc(Cl)cc12 6333486 YXJHBBUYCGWBSD-UHFFFAOYSA-N 381.056 5.697 50 50 GKGA C[C@H]([C]1[CH][CH][CH][C]1[P@@H](=O)C(C)(C)C)P(c1ccccc1)c1ccccc1 103623784 CUSHGPHEMGBHOC-GOSISDBHSA-N 381.416 5.599 50 50 GKGA CCCc1cc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c2ccccc2n1 2110096 WGKXSAHHBGYZAU-FSJBWODESA-N 386.282 5.258 50 50 GKGA O=P(Cc1ccc(Cc2ccccc2)cc1)(c1ccccc1)c1ccccc1 3124995 RZUSTLKGBWWMDD-UHFFFAOYSA-N 382.443 5.792 50 50 GKGA Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(N(C)C)cc2)c1C 13786241 XXBFMJCSWIVTLC-QNGOZBTKSA-N 398.510 5.014 50 50 GKGA C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(C#N)O[Si](C)(C)C 169832250 XNDQYNDBLGVEDE-KOORYGTMSA-N 385.624 5.632 50 50 GKGA biogenic COCO[C@H]1C(=O)[C@@]2(C)C=C[C@H]1[C@@H]([C@H](CO[Si](C)(C)C(C)(C)C)C(C)C)C2 216521032 XSOBTSRWHANKDM-JUMAPTCESA-N 396.644 5.051 50 50 GKGA CCN(C(=S)SSC(=S)N(CC)c1ccccc1)c1ccccc1 5139647 DNCLGFHLBSMLPC-UHFFFAOYSA-N 392.640 5.991 50 50 GKGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 245227024 WTHGNZFUARPIKT-LHVGKRBTSA-N 396.918 5.195 50 50 GKGA COc1ccc(OC)c(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 2820706 VSHDCYJYRLCIRE-KAMYIIQDSA-N 397.887 5.457 50 50 GKGA Cc1cc(C)cc([C@@H](Br)[C@H](Br)c2cc(C)cc(C)c2)c1 3122046 WANIZVCEDNZKEI-QZTJIDSGSA-N 396.166 6.492 50 50 GKGA Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)o1 4149584 YQOSITWTPPNUHR-RVDMUPIBSA-N 384.395 5.412 50 50 GKGA O=C(N/N=C/c1cccc2ccccc12)c1cc(-c2cccc3ccccc23)n[nH]1 8817039 BIEJKSHOYPQRPZ-WGOQTCKBSA-N 390.446 5.147 50 50 GKGA C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC=CC[C@@]43C)[C@H]1CC/C2=N/NC(=O)c1ccncc1 253499790 NJHIQSIODLRTDP-ZRUBLGGLSA-N 391.559 5.376 50 50 GKGA biogenic Cc1cccc(N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c1C 104147113 SGAZKTUQKTXRHY-YBEGLDIGSA-N 375.453 5.132 50 50 GKGA CCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC 169806494 OYGYKEULCAINCL-UHFFFAOYSA-N 388.709 7.516 50 50 GKGA N#CC1=C(SCc2ccccc2)NC(=O)C[C@@H]1c1ccc(Cl)cc1Cl 759145 UHNVFISHLURLOC-OAHLLOKOSA-N 389.307 5.265 50 50 GKGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1cccc2ccccc12 2380006 YDFKALFWNBEKKC-YZSQISJMSA-N 380.447 5.183 50 50 GKGA C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1 2898216 QKMZXIBVJQDGNB-WTJYETQFSA-N 394.858 5.050 50 50 GKGA Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1 5059248 RNUVEIILDHXYKA-HMAPJEAMSA-N 383.495 5.565 50 50 GKGA O=C(Cl)c1cc(-c2cccc(Br)c2)nc2c(Cl)cccc12 6330698 FFBOLGHGJWTLGI-UHFFFAOYSA-N 381.056 5.697 50 50 GKGA CCc1ccc(-c2cc(C(=O)N/N=C\C(C)C)c3cccc(Cl)c3n2)cc1 17077668 NQAGFFVREFVPCM-CFRMEGHHSA-N 379.891 5.489 50 50 GKGA CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OC 12363433 GCHCMGGFXVDYSZ-LWLPBDFMSA-N 386.835 5.498 50 50 GKGA O=C(N/N=C/c1ccccc1Cl)c1ccccc1OCc1ccc(Cl)cc1 4365461 XNSFXLZQZKVCFD-ZMOGYAJESA-N 399.277 5.336 50 50 GKGA CCN(CC)c1ccc(/C=C(\C#N)C(=O)c2ccc(Br)cc2)cc1 4981488 PYMMTFMRJFLXGP-GHRIWEEISA-N 383.289 5.085 50 50 GKGA aggregator C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC/C2=N/NC(=O)c1ccncc1 1772491778 NWHPXJRIVOPQQQ-ZRUBLGGLSA-N 393.575 5.600 50 50 GKGA CC1(C)CC(=O)C2=C(C1)NC(S[C@H]1C=CCCC1)=C(C#N)[C@@H]2c1ccccc1 3196558 XRCIRNSHKKYZJO-UWJYYQICSA-N 390.552 5.594 50 50 GKGA CCO[C@H]([Si](C)(C)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 170024343 HLXMMICKMSLJAI-DEOSSOPVSA-N 393.563 5.221 50 50 GKGA Cc1ccc(-c2nc(C(Cl)Cl)nc3cc(-c4ccc(F)cc4)nn23)cc1 1775977369 UGRVQIKIYSSWJP-UHFFFAOYSA-N 387.245 5.382 50 50 GKGA COc1ccc(/C=C(\C#N)c2ccc(/C(C#N)=C/c3ccc(OC)cc3)cc2)cc1 624533 MPVBOPJMNDQTTI-DFEHQXHXSA-N 392.458 5.832 50 50 GKGA Cc1ccsc1/C=N\NC(=O)c1ccc(COc2ccc3ccccc3c2)o1 4615106 MPPJYOAKDMACQL-QRVIBDJDSA-N 390.464 5.146 50 50 GKGA N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1ccc(C(=O)O)cc1 4820743 ZRCQXLICKLZGES-PTNGSMBKSA-N 381.840 5.847 50 50 GKGA C/C(C=NNC(=O)c1cc(C2CC2)nc2ccccc12)=C\c1ccc(C(C)C)cc1 252678345 FETYVQWYLDKKEU-XGFVSPAISA-N 397.522 6.055 50 50 GKGA O=C(O)c1ccc(Cl)cc1SSc1cc(Cl)ccc1C(=O)O 34296347 DJHWLHNAWVBDNX-UHFFFAOYSA-N 375.254 5.189 50 50 GKGA N#C/C(=C\c1cnc(N2CCC(C(F)(F)F)CC2)s1)c1ccc(Cl)cc1 263639658 CEUQEPDMLPIJIT-UKTHLTGXSA-N 397.853 5.639 50 50 GKGA N#CC1=C(S)NC(=N)[C@@H](c2nc(-c3ccccc3)cs2)C12CCCCC2 5409298 UWPXIEPPMYTAMU-INIZCTEOSA-N 380.542 5.090 50 50 GKGA CCCCCC1CCC(C(=O)NNC(=S)Nc2ccc(Cl)cc2)CC1 6635113 AQZHGGWVOAAMCB-UHFFFAOYSA-N 381.973 5.044 50 50 GKGA CC(=O)C1=C(C)NC(SCSc2ccccc2)=C(C#N)[C@H]1c1ccco1 22034497 AFCYZTXYLMWFJN-IBGZPJMESA-N 382.510 5.048 50 50 GKGA COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(C)cc1 5017790 RAFNLOOXFJXHOA-DEDYPNTBSA-N 395.462 5.523 50 50 GKGA CCCCCCCCCCCCCC(=O)N/N=C/c1cc2ccccc2[nH]c1=O 102316358 RICZNACNIOJNRU-NCELDCMTSA-N 397.563 5.679 50 50 GKGA CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](Cl)CC[C@H]4[C@H]3CC[C@H]12 253499696 QGKAISHZHFSWHC-ODZCCLHSSA-N 377.056 7.855 50 50 GKGA Cc1ccc(N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1C 2820693 JJZOVIHZZVQXDQ-YBEGLDIGSA-N 375.453 5.132 50 50 GKGA Cc1ccc(CCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)o1 101012917 MAGVMBACFHHISA-UHFFFAOYSA-N 399.494 5.905 50 50 GKGA CCC[C@H](C)/C=N\NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12 17077667 XZJWMJVEBGMZKW-YNNOXIHVSA-N 379.891 5.707 50 50 GKGA CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C(=O)C[C@]3(C)O)C(C=O)=CC[C@H]12 2332918239 PLWMYIADTRHIMY-CJOMPRKPSA-N 386.576 5.277 50 50 GKGA Cn1c(/C=C(\C#N)c2nc3ccccc3s2)ccc1-c1cccc(Cl)c1 4305910 CDVQGDWPIXWABV-NTCAYCPXSA-N 375.884 6.019 50 50 GKGA COc1ccc(/C=C(/C#N)C(=O)C(C)(C)C)cc1COc1ccc2c(c1)CCC2 17079514 XTHLQELKHZYTCY-NDENLUEZSA-N 389.495 5.285 50 50 GKGA O=C(N/N=C/c1ccccc1Cl)c1ccc(OCc2ccc(Cl)cc2)cc1 3059547 KEJFUYBDVPHSES-ZMOGYAJESA-N 399.277 5.336 50 50 GKGA COc1ccc(-c2csc(/C(C#N)=C/c3ccc(Br)o3)n2)cc1 3997751 VSUMRFGWJLVOLU-XYOKQWHBSA-N 387.258 5.238 50 50 GKGA O=C(N/N=C\c1c(Br)sc2ccccc12)c1cccc(Cl)c1 4957037 QGBOPILZCJADLL-OCKHKDLRSA-N 393.693 5.081 50 50 GKGA Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2C)c(C)c1 15012323 NIBKFZVCIMHXKU-HMAPJEAMSA-N 383.495 5.565 50 50 GKGA CCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(Br)cc1 2875937 DKXGAIPXVBRYBX-GHRIWEEISA-N 378.269 6.065 50 50 GKGA COc1ccc(-c2ccc([C@@H]3C(C#N)=C(C)NC4=C3C(=O)CC(C)(C)C4)o2)cc1 25694719 YJOCDOKNVKOLFW-QFIPXVFZSA-N 388.467 5.083 50 50 GKGA C[C@H](Br)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 60272466 VWCMRQMDEQHCRL-IBGZPJMESA-N 398.304 5.154 50 50 GKGA N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc([N+](=O)[O-])cc1 2848455 SXQGXMGPLRFDHB-JLHYYAGUSA-N 385.206 6.226 50 50 GKGA COC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc4cc(C)ccc4[nH]3)o2)c(C)c1 4739791 YUKFCZCYHSLLHT-ATVHPVEESA-N 397.434 5.291 50 50 GKGA N#CC(C(=O)[C@H](Sc1ccccc1)c1ccccc1)=C1Nc2ccccc2N1 5729591 KAOYZSDERMYFOM-JOCHJYFZSA-N 383.476 5.362 50 50 GKGA O=[N+]([O-])c1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1 100701647 BDVNCRCGKMFCMO-UHFFFAOYSA-N 398.422 5.089 50 50 GKGA C[C@]12CCC[C@@H]1[C@H]1CC=C3C[C@H](OC(=O)C(Cl)Cl)CC[C@]3(C)[C@@H]1CC2 254899159 WQWFFYCDRORWHD-HVFKHUKCSA-N 385.375 6.055 50 50 GKGA CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c(OCC)c1 17078842 ASMVPLWNORSFTO-XMHGGMMESA-N 386.451 5.183 50 50 GKGA CCCCCCCCCCCCCCCC(=O)N/N=C/c1cccc(F)c1 102290470 KFAGNLHKMYAYEE-LKUDQCMESA-N 376.560 6.757 50 50 GKGA COc1ccc(-c2onc3cc(S(F)(F)(F)(F)F)ccc23)cc1OC 103862462 CVJTVSOOYMZBJE-UHFFFAOYSA-N 381.322 6.169 50 50 GKGA COCc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 101012927 WTKBZBHMFJVQLI-UHFFFAOYSA-N 397.478 5.327 50 50 GKGA C/C(=N\NC(=O)c1cc(-c2ccc(CC(C)C)cc2)n[nH]1)c1ccc(Cl)cc1 9015061 AQHSPVRXJDESHL-BUVRLJJBSA-N 394.906 5.083 50 50 GKGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2cccc(C#N)c2)o1 2883394 SYJKDMJYLGTWDY-DEDYPNTBSA-N 376.419 5.377 50 50 GKGA aggregator Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)nc2c1 5028043 TYRKDNTVLBRNOD-WJDWOHSUSA-N 397.394 5.031 50 50 GKGA C/C(=N\NC(=O)c1cc(-c2ccc3ccccc3c2)[nH]n1)c1ccc(Cl)cc1 6780457 QPDBPKZIQHSUQD-ZVHZXABRSA-N 388.858 5.037 50 50 GKGA CS[C@@H]1CC[C@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1 170594546 SMBLUNKIXCLZLV-WDEREUQCSA-N 376.416 5.750 50 50 GKGA FS(F)(F)(F)(F)c1ccc2cc(-c3ccc(Br)cc3)[nH]c2c1 103861062 AHBOZBSKABVFNA-UHFFFAOYSA-N 398.194 7.255 50 50 GKGA CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@H]2[C@H]3CCC(=O)[C@](C)(CO)[C@H]3CC[C@]12C 215808504 FUNLLIJOYNVIFA-KWPRLHDRSA-N 380.645 5.181 50 50 GKGA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(CBr)cc1 15442650 KQNIHGRLKDHWJB-UHFFFAOYSA-N 386.286 5.258 50 50 GKGA O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccccc1Br 2899311 LVBYNIUCHZSUCS-HYARGMPZSA-N 395.256 5.005 50 50 GKGA COc1ccccc1/C=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 4020409 JBWAKDJDZCMTFR-RIYZIHGNSA-N 387.291 6.190 50 50 GKGA C1=Cc2ccccc2C(P(c2ccccc2)c2ccccc2)c2ccccc21 101314126 KZCMNDBHBVBRLY-UHFFFAOYSA-N 376.439 6.393 50 50 GKGA Clc1ccc(-c2nc(C(Cl)Cl)nc3cc(-c4ccccc4)nn23)cc1 1775976034 NUPOSCIICDXLSS-UHFFFAOYSA-N 389.673 5.588 50 50 GKGA O=C(COc1ccc(Cl)cc1Cl)NN=C1CCC(c2ccccc2)CC1 1203097 FGQSVPYRAZKOJO-UHFFFAOYSA-N 391.298 5.202 50 50 GKGA N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1nc2ccccc2[nH]1 4033861 JAGUUFWPKNAPSG-SDNWHVSQSA-N 390.240 5.650 50 50 GKGA CCCSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1 19337788 OAFVKBLGGORCIZ-NRFANRHFSA-N 389.524 5.164 50 50 GKGA N#C/C(=C\c1ccccc1[N+](=O)[O-])c1nc(C2=Cc3ccccc3OC2)cs1 25576414 DHOIKKPAVYWGKK-CXUHLZMHSA-N 387.420 5.048 50 50 GKGA Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 1195310 LBXGNKCXNINQMH-CPNJWEJPSA-N 389.886 5.602 50 50 GKGA CCOc1cc(/C=C(\C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1O 5041364 YZAWNSDHDCJSKW-KPKJPENVSA-N 390.386 5.484 50 50 GKGA COCO[C@H]1C(=O)[C@@]2(C)C=C[C@H]1[C@H]([C@H](CO[Si](C)(C)C(C)(C)C)C(C)C)C2 216520982 XSOBTSRWHANKDM-OPKIRLMFSA-N 396.644 5.051 50 50 GKGA Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 1194927 HKGCIBJLPWXKQI-GXDHUFHOSA-N 397.261 6.108 50 50 GKGA COc1ccc(-c2csc(/C(C#N)=C/c3cccc4ccccc34)n2)cc1OC 5008908 YCGXMGIBQRFJCD-XDHOZWIPSA-N 398.487 6.045 50 50 GKGA Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc2ccccc2c1 1189787 AOXKZAHSBZMKAU-HZHRSRAPSA-N 391.474 5.793 50 50 GKGA Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3C)c2C)c1 5059273 JHNNVZHFFQHKID-HMAPJEAMSA-N 383.495 5.565 50 50 GKGA C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(C#N)O[Si](C)(C)C 252695270 XNDQYNDBLGVEDE-GSKAWHTLSA-N 385.624 5.632 50 50 GKGA biogenic C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(C#N)O[Si](C)(C)C 252695271 XNDQYNDBLGVEDE-NENAYYCWSA-N 385.624 5.632 50 50 GKGA biogenic OCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1 1550766 LUMKNAVTFCDUIE-VHXPQNKSSA-N 378.899 5.646 50 50 GKGA fda COc1cccc(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c1 1191403 JAMVCUVJLRPLMD-XMHGGMMESA-N 389.524 5.994 50 50 GKGA CC1(C)OB(c2c(Cl)cccc2CO[Si](C)(C)C(C)(C)C)OC1(C)C 224683188 ZXVOBKPEMWVQEY-UHFFFAOYSA-N 382.813 5.161 50 50 GKGA COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(F)cc1 12419378 XVNGOOYRULSKGT-PDGQHHTCSA-N 399.425 5.354 50 50 GKGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 245226820 MUGMYCBDMMTNKL-MKYSUJOQSA-N 391.298 5.530 50 50 GKGA CCc1ccc(-c2csc(/C(C#N)=C/Nc3cccc4ccccc34)n2)cc1 2158014 GEFZLKYPBFFOKU-HMMYKYKNSA-N 381.504 6.502 50 50 GKGA N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 4978909 KEQXHZMEJBQVPU-AQTBWJFISA-N 396.406 5.114 50 50 GKGA C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)C1 4950265 GYPLPWYSZCJUIF-LPJIFZKQSA-N 384.523 5.397 50 50 GKGA CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(O)c(OC)c3)n2)cc1 4309302 GLVROZYGRKTQLN-XDHOZWIPSA-N 390.508 5.931 50 50 GKGA COCO[C@](C)(CCCOCc1ccccc1)CO[Si](C)(C)C(C)(C)C 169836589 WGXLVXLRSWVNEW-OAQYLSRUSA-N 382.617 5.384 50 50 GKGA C=C(CCOCOC)[C@@]1(O[Si](C)(C)C(C)(C)C)C[C@@]2(C)CC[C@H]1C(=O)C2 257357320 NKQHQJQECJTQGI-YYWHXJBOSA-N 382.617 5.093 50 50 GKGA ClC[C@@H]1[C@H](CCl)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 3127724 FUZORIOHZSVKAW-DDYGQXQVSA-N 397.771 5.542 50 50 GKGA ClC[C@@H]1[C@H](CCl)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 105048553 FUZORIOHZSVKAW-UIPKGFOGSA-N 397.771 5.542 50 50 GKGA in-vitro COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2sc2ccccc32)c2ccccc12 708675 AUFPCXPEXYRIMI-HXUWFJFHSA-N 384.460 5.281 50 50 GKGA CCn1c2ccccc2c2cc(/C=N/NC(=O)[C@@H]3C[C@@H]3c3ccccc3)ccc21 4180662 UBUJBWSZVKWEIS-PRIJEKCXSA-N 381.479 5.068 50 50 GKGA CCOC(=O)/C(C#N)=C/c1ccc(OCCOc2ccc([C@H](C)CC)cc2)cc1 2968644 ZGVXGMIYJKJDDG-WKSXIXGESA-N 393.483 5.128 50 50 GKGA COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(C)c(C)c3)n2)cc1OC 1199751 JOLCSLUGFXYCMT-ATVHPVEESA-N 391.496 5.421 50 50 GKGA Cc1cc2nc(/C(C#N)=C\c3ccc(-c4ccccc4C(=O)O)o3)[nH]c2cc1C 4809810 CPVUTQMWMXHDQZ-PTNGSMBKSA-N 383.407 5.202 50 50 GKGA CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)c1 5059196 VSHWNXNQVKDTAD-ZHZULCJRSA-N 391.515 5.555 50 50 GKGA COc1cccc(-c2csc(/C(C#N)=C\Nc3cc(Cl)ccc3OC)n2)c1 13777709 HZBIERHYTWLZDO-KAMYIIQDSA-N 397.887 5.457 50 50 GKGA CCn1c2ccccc2c2cc(/C=N/NC(=O)c3cccc(Cl)c3)ccc21 2059578 KLUVBVFLFHBDOC-ZVHZXABRSA-N 375.859 5.232 50 50 GKGA CSc1ccc(/C=C(\C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 5041768 MXCRYNCXYCNEBN-XYOKQWHBSA-N 376.428 6.101 50 50 GKGA CC(C)c1ccc(-c2cc(C(=O)Cl)c3cc(Br)ccc3n2)cc1 5912948 SNNYYZJSOQZRFE-UHFFFAOYSA-N 388.692 6.167 50 50 GKGA O=[N+]([O-])c1cccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c1 95676485 AGFAUKFPPPZZIA-UHFFFAOYSA-N 398.402 5.404 50 50 GKGA N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccccc1O 1190270 BPTITLLQYFETHK-FMIVXFBMSA-N 399.233 5.505 50 50 GKGA Cc1ccc2cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)c(Cl)nc2c1 5795846 KIDFQHWDCBVUND-LSFURLLWSA-N 392.673 5.267 50 50 GKGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1csc2c1CC[C@@H](C(C)(C)C)C2 655392 ZMYCYBCGZGJTJX-ZIFAQYRBSA-N 393.556 5.453 50 50 GKGA Cc1ccc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)s1 4155050 BQDHNRCWRKCMRT-ZSOIEALJSA-N 376.462 5.351 50 50 GKGA CC(/C=C/C=C/c1ccccc1)=N\NC(=O)COc1ccc(Cl)cc1Cl 4992162 DQBUMCPIUHVBSV-OPOGQUBDSA-N 389.282 5.134 50 50 GKGA Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(Br)o3)n2)c(C)c1 4020340 MEORNTFFMMRTPZ-MDWZMJQESA-N 385.286 5.847 50 50 GKGA C[Si](C)(CC[C@@H]1CC[C@@H]2O[C@H]2C1)O[Si](C)(C)CC[C@@H]1CC[C@@H]2O[C@@H]2C1 250860227 UQOXIKVRXYCUMT-RPZLJYRGSA-N 382.693 5.328 50 50 GKGA in-vitro N#C/C(=C1/C=C(Br)C(=NO)C=C1Cl)c1cccc2ccccc12 254100347 BJDKZONPNOGIEO-JWVDEJMJSA-N 385.648 5.362 50 50 GKGA CCOc1ccc(Br)cc1/C=C(\C#N)c1nc2ccc(C)cc2[nH]1 5012781 NRBGQOGRTZQHMJ-NTEUORMPSA-N 382.261 5.097 50 50 GKGA Cc1ccccc1Cn1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c2ccccc21 5028364 QEKOJJIHWLVZCP-XSFVSMFZSA-N 388.474 5.939 50 50 GKGA N#C/C(=C/c1cn(Cc2ccccc2C#N)c2ccccc12)c1ccc(F)cc1 1050614 XMEHBFMOQLCLSQ-BKUYFWCQSA-N 377.422 5.765 50 50 GKGA N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc([N+](=O)[O-])c1 1071309 OBIXNTFBXCCLKV-KAMYIIQDSA-N 388.408 5.279 50 50 GKGA Cc1ccc2cc(/C=C(\C#N)c3nc(-c4cccs4)cs3)c(Cl)nc2c1 4991388 OQVDRQYKZMAXSW-OQLLNIDSSA-N 393.924 6.446 50 50 GKGA O=C(N/N=C/c1cccc2ccccc12)c1cc(-c2ccc3ccccc3c2)n[nH]1 4994141 WLPKKIDUMYCIMU-WGOQTCKBSA-N 390.446 5.147 50 50 GKGA CC(=O)c1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)c1 17081001 CSVVBSUOSAXJAI-HYARGMPZSA-N 396.446 5.014 50 50 GKGA N#C/C(=C(/O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc2ccccc2s1 100989640 ZWMNOZAEWUPYGZ-RGEXLXHISA-N 389.392 5.414 50 50 GKGA O=C(N/N=C/c1c(F)cccc1Cl)c1sc2cc(F)ccc2c1Cl 2089938 QFJJVBSBHCVDIA-QPSGOUHRSA-N 385.222 5.250 50 50 GKGA Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1-c1ccc2c(c1)OCO2 16319702 QYQIDRGQZZEQJA-ZDLGFXPLSA-N 376.843 5.540 50 50 GKGA C/C(=N\c1ccc2c(c1)OCO2)SS/C(C)=N/c1ccc2c(c1)OCO2 4566292 SDKBKUFMBQTVQA-AYKLPDECSA-N 388.470 5.325 50 50 GKGA C(\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=N/c1ccccc1 102315195 DTCDCEYXOYMICV-SZXQPVLSSA-N 380.451 5.383 50 50 GKGA N#C/C(=C/Nc1cc(Cl)ccc1Cl)c1nc(-c2ccc(F)cc2)cs1 13765823 JLHPIRJMQUAVGM-XFXZXTDPSA-N 390.270 6.233 50 50 GKGA CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C)cc3C)n2)cc1 1191000 LRJHYHTYKUDBBR-QGOAFFKASA-N 375.497 5.802 50 50 GKGA Cc1ccc(-c2ccc(/C=C(\C#N)c3nc4ccccc4s3)o2)c([N+](=O)[O-])c1 4304291 BPSNGBHFDHKMDX-SDNWHVSQSA-N 387.420 5.837 50 50 GKGA C=CCOc1cc(Br)c(/C=C(/C#N)c2cccc(F)c2)cc1OC 16400968 CHVWCNZGLJFBJG-NVNXTCNLSA-N 388.236 5.226 50 50 GKGA Cc1ccc2nc(-c3ccc(NC(=O)/C(C#N)=C/c4ccccc4)cc3)sc2c1 942834 RFRJAEVKXUIDSS-XMHGGMMESA-N 395.487 5.817 50 50 GKGA Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)nc2c1 4739796 LIPXHDANNMAVPW-KAMYIIQDSA-N 397.463 5.556 50 50 GKGA O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 2513487 FSABIGLFJAIWGT-ZMOGYAJESA-N 399.277 5.336 50 50 GKGA C/C(=N\NC(=O)CCn1c2ccccc2c2ccccc21)c1ccc(Cl)cc1 5494545 TXRKQHPXQLLQTR-PCLIKHOPSA-N 389.886 5.378 50 50 GKGA C=CCC[C@@H]1C(C)=C(O[Si](C)(C)C)C[C@H]2CC[C@H](C)[C@@H](CCC(=C)C)[C@]12C 169830319 XIMIJVFNHYZRJD-ANYFMGCHSA-N 388.712 8.123 50 50 GKGA O=C(NN(c1ccccc1)c1ccccc1)NN(c1ccccc1)c1ccccc1 2169900 NROLRWUPXHKDTM-UHFFFAOYSA-N 394.478 5.792 50 50 GKGA O=[N+]([O-])c1cc(Cl)ccc1SSc1ccc(Cl)cc1[N+](=O)[O-] 1693408 DESADCWXGJLRSR-UHFFFAOYSA-N 377.230 5.609 50 50 GKGA biogenic,in-vitro CCCCCCCCCCCCCCCC(=O)N/N=C/c1ccccc1OC 102284975 MIPBKPYDIUKMCZ-NJNXFGOHSA-N 388.596 6.627 50 50 GKGA CCCN(CCC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(C)=O)cc2)cc1 17079518 GBCHPXKVWQWCQM-LTGZKZEYSA-N 389.499 5.061 50 50 GKGA N#C/C(=C\Nc1ccccc1)c1nc(-c2cccc(Br)c2)cs1 100497515 PYOBRCXEGKIWGN-SDNWHVSQSA-N 382.286 5.549 50 50 GKGA CCc1ccc([C@@H]2C(C#N)=C(SCc3ccccc3)NC(C)=C2C(C)=O)cc1 1199475 JKTUNWQXGOBBLR-HSZRJFAPSA-N 388.536 5.467 50 50 GKGA CCc1ccc2c(Cl)c(C(=O)N/N=C/c3c[nH]c4ccccc34)sc2c1 2089558 ZFKLCCYTODIPAF-FOKLQQMPSA-N 381.888 5.362 50 50 GKGA N#C/C(=C\c1cccc(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 5008876 UAOBWLZZNPRMFZ-WUXMJOGZSA-N 375.255 6.320 50 50 GKGA CC(C=Cc1ccccc1)=NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 2049336736 RVSSFADLPULGQQ-UHFFFAOYSA-N 391.474 5.721 50 50 GKGA O=C(Nc1ccc(Cl)cc1)Nc1ccccc1OC(F)(F)[C@H](F)Cl 771843 YSWBBMPYHGQAHD-ZDUSSCGKSA-N 379.165 5.490 50 50 GKGA N#C/C(=C\c1cccc2ccccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 4020285 QJACBWMYHUPVNP-LDADJPATSA-N 383.432 5.936 50 50 GKGA