smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCCCC1CCC(C(=O)NN=Cc2ccc(Oc3ncccn3)cc2)CC1 2265276946 ZPOHZGSIEMJQHD-UHFFFAOYSA-N 394.519 5.106 50 30 GKGC Cc1csc2sc(/C=C(\C#N)S(=O)(=O)c3ccc(Cl)cc3)c(C)c12 1037827 MXJSBWGWUSGTCD-VGOFMYFVSA-N 393.942 5.571 50 30 GKGC CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]12C 226309527 YVUHVHDKEXKRJZ-KTLNFSBISA-N 392.744 8.078 50 30 GKGC Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)/C(C#N)=C/Nc1ccc(Cl)cc1 1046771 LXNYQXRCHBKAJQ-NTCAYCPXSA-N 397.261 6.264 50 30 GKGC N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1)C(N)=S 1048283 ZUQIIMJFUWWUPT-WEVVVXLNSA-N 390.308 5.177 50 30 GKGC COOP(=O)(OOC)O/C(=C\Cl)c1cc(Cl)c(Cl)cc1Cl 100122045 ZKERVNBIQYEUTA-YHYXMXQVSA-N 397.962 5.465 50 30 GKGC Cc1oc(C(C)(C)C)cc1C(=O)/C(C#N)=C/Nc1cccc(OC(F)(F)F)c1 1046769 UJRLIYIPVTUDET-ACCUITESSA-N 392.377 5.486 50 30 GKGC C=C[C@@H](C)CCCC(C)(C)O[SiH](COC)OC(C)(C)CCC[C@H](C)C=C 195766658 HNWAWTRNPCYYBU-WOJBJXKFSA-N 384.677 5.968 50 30 GKGC O=C(NNc1ccccc1)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F 1029932 IZHHZLKKKRANIO-UHFFFAOYSA-N 380.753 5.376 50 30 GKGC CCO/C=N\C1=C(C#N)[C@@H](c2ccc(OC)cc2)c2ccc3ccccc3c2O1 13464906 ZERAPKZRVFVJAC-XPUNOZPZSA-N 384.435 5.173 50 30 GKGC O=C(CCCCl)c1ccc2c(c1)Cc1cc(C(=O)CCCCl)ccc1-2 100026579 VDULZBPMPRKRHA-UHFFFAOYSA-N 375.295 5.661 50 30 GKGC CC1(C)[C@@H]2C[C@@H]1C[C@@H]1OB([C@@H](Cl)CCO[Si](C)(C)C(C)(C)C)O[C@@]12C 1565503726 GDOGEJFKMFNHIQ-XZLOLGPPSA-N 386.845 5.273 50 30 GKGC O=C(O)CCCc1ccc(SSc2ccc(CCCC(=O)O)cc2)cc1 6472153 LGKRJINEBZYLPW-UHFFFAOYSA-N 390.526 5.301 50 30 GKGC in-vitro CCN1/C(=C/C=C2\CCCC(C=C(C#N)C#N)=C2Cl)Sc2ccccc21 39440213 SNYZZLRHMJQILK-AJAIIZAESA-N 379.916 6.037 50 30 GKGC Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)NNc1ccccc1 1042506 YFXLKUCWWZULEI-UHFFFAOYSA-N 377.231 5.105 50 30 GKGC CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)CCl 77313106 FNBUARDMABVKGD-HXUWFJFHSA-N 377.009 6.391 50 30 GKGC CN(C)c1ccc(/N=N/c2ccc(CN(CCCl)CCCl)cc2)cc1 95832243 QAVOZXCKBNBBOK-GHVJWSGMSA-N 379.335 5.448 50 30 GKGC CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CCl 72400427 FNBUARDMABVKGD-FQEVSTJZSA-N 377.009 6.391 50 30 GKGC in-vitro C[C@@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C 196224137 WYRKZEJKGNHQNC-BBMMYNIISA-N 396.732 7.171 50 30 GKGC C=C1/C(=C/CO)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 196014386 APRWHRXRPYRYKF-FESWLXLESA-N 398.736 6.036 50 30 GKGC in-vitro CCOC(=O)/C(C#N)=C/Nc1ccccc1Oc1ccc(Cl)cc1Cl 1040731 QCPKXQGLAQKEDY-VAWYXSNFSA-N 377.227 5.168 50 30 GKGC CCCCCCCCCCCCCCCCCC(=O)N[N+](C)(C)[C@@H](C)CC 223471720 PIUCFATZYLOFFM-QHCPKHFHSA-O 383.685 7.154 50 30 GKGC CC(C)[Si](Oc1cccc(C(=O)O)c1OC(F)(F)F)(C(C)C)C(C)C 328579409 GNKXAPQVRMTGAO-UHFFFAOYSA-N 378.463 5.838 50 30 GKGC CCCCCCCCCCCC[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Cl 95713090 ZLIHXFIEQYYLQD-IBGZPJMESA-N 383.916 6.419 50 30 GKGC CCCCCCCCCCCCCC(=O)OCCI 111893997 HTORKFYAKCXIKR-UHFFFAOYSA-N 382.326 5.666 50 30 GKGC C[Si](C)(C)Oc1cc(Cl)cc(-c2cc(Cl)ccc2Cl)c1Cl 195760658 HBSLKHWOINANQY-UHFFFAOYSA-N 380.174 7.181 50 30 GKGC Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)/C(C#N)=C/c1ccccc1Cl 4390679 ZHRCXMDNBNUQTO-MHWRWJLKSA-N 382.246 6.352 50 30 GKGC C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O[Si](C)(C)C 604970751 DVEUJDWURSKKQN-AYLSLSSXSA-N 376.657 6.208 50 30 GKGC in-vitro CCC(C)(C)c1ccc(O)c(SSc2cc(C(C)(C)CC)ccc2O)c1 38612169 RZAPFEWZXAKCHZ-UHFFFAOYSA-N 390.614 7.272 50 30 GKGC O=C(N/N=C/c1ccc(F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 3138736 SLOKCQRJHRVGRJ-KTZMUZOWSA-N 393.262 5.019 50 30 GKGC Cc1cc2c(cc1C=C(C#N)C#N)[C@@H](C)CC(C)(C)N2CCCNc1ccccc1 205034873 CRMGFDJMBMOJQE-FQEVSTJZSA-N 398.554 6.020 50 30 GKGC Oc1ccc(Nc2ccc(N(CCCl)CCCl)cc2)c2ccccc12 4774368 WYGOEDQHIGXZJA-UHFFFAOYSA-N 375.299 5.573 50 30 GKGC C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)CBr 2265351789 SAQWWJZMMBLRTN-FJEWGBTGSA-N 393.365 5.099 50 30 GKGC Cc1oc(-c2ccccc2)cc1C(=O)/C(C#N)=C\c1ccc(OC(F)(F)F)cc1 13469278 GJRZVXXVTJYBDA-BOPFTXTBSA-N 397.352 5.944 50 30 GKGC CCCCCCCCCCCCCCCCCC(=O)N[N+](C)(C)[C@H](C)CC 223471767 PIUCFATZYLOFFM-HSZRJFAPSA-O 383.685 7.154 50 30 GKGC CCCCCc1ccc(O)c(SSc2cc(CCCCC)ccc2O)c1 5821122 QFIVQAAPVGDRHJ-UHFFFAOYSA-N 390.614 7.363 50 30 GKGC CCCCCCCCCCCCCCCCCCO[Si](C)(C)CCl 195794504 UIHXQSXJJMDOQY-UHFFFAOYSA-N 377.129 8.248 50 30 GKGC CC1(C)[C@@H]2C[C@@H]1C[C@@H]1OB([C@H](Cl)CCO[Si](C)(C)C(C)(C)C)O[C@]12C 1565503725 GDOGEJFKMFNHIQ-TVEAVKIZSA-N 386.845 5.273 50 30 GKGC CCCCCCCCCCCCCCCCCC(=O)N(CCCCC)N=O 223658928 NHPGPRLKXIVOLE-UHFFFAOYSA-N 382.633 7.948 50 30 GKGC O=C(O)CCCCCCCCCCCCCCCI 4216585 RNTWMPKPEATMJA-UHFFFAOYSA-N 382.326 5.967 50 30 GKGC in-man ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@H](CC[C@H]3Cl)[C@@]1(Cl)C2(Cl)Cl 256375645 DRKYTUDHOKREMS-HPDAZQCGSA-N 375.337 5.466 50 30 GKGC CO[Si](C)(OCC[C@@H](C)CCC=C(C)C)OCC[C@@H](C)CCC=C(C)C 198017393 KVEVRQDPBKMHSS-VXKWHMMOSA-N 384.677 6.780 50 30 GKGC C=C1/C(=C\CO)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 195831952 APRWHRXRPYRYKF-AIZSWXQMSA-N 398.736 6.036 50 30 GKGC Oc1ccc(F)cc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 118195388 WPRZYDSLUUOHAP-UHFFFAOYSA-O 387.414 5.025 50 30 GKGC CCCP1(Br)=NP(Cl)(Cl)=NP(Cl)(Cl)=N1 137757175 WXFPVZVHFLNCGM-UHFFFAOYSA-N 399.748 7.684 50 30 GKGC CSc1sc(C(=O)/C(C#N)=C/Nc2ccc(Cl)cc2)c2c1C=CCC2 1038449 ZZVRTTJJIFIVHM-VAWYXSNFSA-N 386.929 5.785 50 30 GKGC C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CBr 34275349 SAQWWJZMMBLRTN-YFWFAHHUSA-N 393.365 5.099 50 30 GKGC C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)CBr 2265351790 SAQWWJZMMBLRTN-QWSDNZPMSA-N 393.365 5.099 50 30 GKGC CC1(C)[C@@H]2C[C@@H]1C[C@@H]1OB([C@@H](Cl)CCO[Si](C)(C)C(C)(C)C)O[C@]12C 1565503723 GDOGEJFKMFNHIQ-CUGJGTHOSA-N 386.845 5.273 50 30 GKGC Cc1ccc(Oc2ccccc2C=NNC(=O)c2ccc(C(F)(F)F)cc2)cc1 254393187 SECWQXFFEWGMKG-UHFFFAOYSA-N 398.384 5.570 50 30 GKGC O=C(NNc1cc(C(F)(F)F)nc2ccccc12)Nc1cccc(Cl)c1 1039385 ZMIMRYISHNRTCE-UHFFFAOYSA-N 380.757 5.056 50 30 GKGC Cc1ccc(S(=O)(=O)/C(C#N)=C\c2sc3ccc(Cl)cc3c2C)cc1 4697250 KBAKEDCEIVCGIB-YBEGLDIGSA-N 387.913 5.510 50 30 GKGC N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(OC(F)(F)F)cc1 4351200 QSVHTCKHVLYAFF-KPKJPENVSA-N 386.156 5.682 50 30 GKGC ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@@H](Cl)CC[C@@H]3[C@@]1(Cl)C2(Cl)Cl 256375650 DRKYTUDHOKREMS-QNOJDQBWSA-N 375.337 5.466 50 30 GKGC FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)SCl 103826272 BEDWVNVYPXSFLZ-UHFFFAOYSA-N 386.560 5.570 50 30 GKGC Cc1cc(/C=N\NC(=O)CCc2ccc(O)cc2)c2c(C)ccc(C(C)C)cc1-2 33365166 BBBBYOCTVVWGJF-YSMPRRRNSA-N 388.511 5.320 50 30 GKGC CC1=CS/C(=C(\C#N)C(=O)c2ccccc2Cl)N1c1ccccc1Cl 4348009 YKHHCVQTNNTBDS-XMHGGMMESA-N 387.291 6.026 50 30 GKGC C[Si](C)(C)OCCC[Si](C)(C)O[Si](C)(C)CCCO[Si](C)(C)C 195767185 DMXGWDSHFINJOU-UHFFFAOYSA-N 394.853 5.896 50 30 GKGC Cc1ccc(COc2ccc(/C(C#N)=C/c3ccc(C(F)(F)F)cc3)cc2)cc1 2158650 QQMFUYLECAJWKC-KGENOOAVSA-N 393.408 6.657 50 30 GKGC BrCCCCCCCCCCCCCCCCc1ccccn1 71605992 JCIBFWRKAKESTL-UHFFFAOYSA-N 382.430 7.480 50 30 GKGC O=C(NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)c1nn(CCCCCCl)c2ccccc12 2265364094 LGENBCKWDLSPTD-XHICYHHKSA-N 399.966 5.144 50 30 GKGC CCCCCCCCCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C 198591388 KVERUWYTWALZLU-UHFFFAOYSA-N 390.833 7.682 50 30 GKGC CSc1sc(C(=O)/C(C#N)=C/Nc2ccccc2Cl)c2c1C=CCC2 1038451 HIPRDDNGUCKRPG-VAWYXSNFSA-N 386.929 5.785 50 30 GKGC CCCCCCCCCCCCCCCCCC[N+](C)(C)C[C@H](O)CCl 95858340 XERREUIGCGXTDG-HSZRJFAPSA-N 391.104 6.924 50 30 GKGC CCOC(=O)/C(C#N)=C1/C=C(/C=C2\Sc3ccccc3N2CC)CC(C)(C)C1 225297875 FWKSBASWZNIWFR-UYGDFIDHSA-N 394.540 5.590 50 30 GKGC CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]21C 226309517 YVUHVHDKEXKRJZ-DZNBTBFHSA-N 392.744 8.078 50 30 GKGC O=[P@](Cl)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)c2cccnc12 108866897 XDNLSSRUDKIFSW-HSZRJFAPSA-N 388.574 6.346 50 30 GKGC O=C(NCc1ccc(C(=O)Cl)cc1)OCC1c2ccccc2-c2ccccc21 709659317 OCCUTOHHPNVHLF-UHFFFAOYSA-N 391.854 5.104 50 30 GKGC CC1(C)CCc2cc(/C=C(\C#N)C(=O)c3cccc(C(F)(F)F)c3)ccc2O1 4351419 NXOBZKLXSMOPCO-GZTJUZNOSA-N 385.385 5.599 50 30 GKGC O=C(Cl)Oc1ccc(C2CCC(c3ccc(OC(=O)Cl)cc3)CC2)cc1 2506782 HHQLVDRKEZPZDW-UHFFFAOYSA-N 393.266 6.603 50 30 GKGC CCCCCCCCCCCCCCCCCCCCCBr 256075728 ABHHLNIVRZCBKH-UHFFFAOYSA-N 375.479 8.813 50 30 GKGC O=C(/C=C/c1ccccc1)[C@@H](Br)[C@@H](Br)c1ccccc1 100045926 QWRCGOMWOXYYBU-PUENXVRKSA-N 394.106 5.169 50 30 GKGC O=C(NNc1cc(C(F)(F)F)nc2ccccc12)Nc1ccc(Cl)cc1 4347596 VXACKCXZTDNWDN-UHFFFAOYSA-N 380.757 5.056 50 30 GKGC C=C[C@](C)(CCC=C(C)C)O[Si](C)(OC)O[C@](C)(C=C)CCC=C(C)C 198030631 QTJNJBLGOFAAKJ-FGZHOGPDSA-N 380.645 6.617 50 30 GKGC CC(C)[Si](Oc1ccc(CO)cc1-c1cccc(Cl)c1)(C(C)C)C(C)C 197679678 BSDRGORYJVDFHD-UHFFFAOYSA-N 391.027 7.054 50 30 GKGC COc1ccc(/C(=C\C=C(C#N)C#N)Sc2nc3ccccc3s2)cc1 12366839 RDYSRPPSUCPBDW-WOJGMQOQSA-N 375.478 5.412 50 30 GKGC CCN1/C(=C/C=C2\CCc3ccccc3C2=C(C#N)C#N)Sc2ccccc21 39440223 CEGOOHUPJHZVTC-LCUSYGQGSA-N 381.504 5.834 50 30 GKGC CCCCCCCc1ccc(NC(=O)NNc2ccccc2C(F)(F)F)cc1 3128751 PFGWJTWBDSLDJH-UHFFFAOYSA-N 393.453 6.367 50 30 GKGC C=C[C@@](C)(CCC=C(C)C)O[Si](C)(OC)O[C@@](C)(C=C)CCC=C(C)C 198030638 QTJNJBLGOFAAKJ-VXKWHMMOSA-N 380.645 6.617 50 30 GKGC O=C(NN=Cc1ccccc1Oc1ccccc1)c1ccc(C(F)(F)F)cc1 254392682 XVAXGUVLGOTIAD-UHFFFAOYSA-N 384.357 5.262 50 30 GKGC C=C[C@H](C)CCCC(C)(C)O[SiH](COC)OC(C)(C)CCC[C@@H](C)C=C 195766657 HNWAWTRNPCYYBU-PMACEKPBSA-N 384.677 5.968 50 30 GKGC O=[P@@](Cl)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)c2cccnc12 108866894 XDNLSSRUDKIFSW-QHCPKHFHSA-N 388.574 6.346 50 30 GKGC CC(C)N(Cc1ccc(P(c2ccccc2)c2ccccc2)cc1)C(C)C 137550064 XRDSZJPPWTUFSW-UHFFFAOYSA-N 375.496 5.064 50 30 GKGC CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(C#N)CC[C@]4(C)[C@H]3CC[C@]12C 96326962 SWSAVZHOUMPGCF-RJBKZOIGSA-N 380.576 5.540 50 30 GKGC C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2C(=O)CBr 2265351791 SAQWWJZMMBLRTN-ZKHIMWLXSA-N 393.365 5.099 50 30 GKGC CCCCCCCCCCCC1CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C1 195751182 AOTLKIISJBQSTG-UHFFFAOYSA-N 398.780 8.232 50 30 GKGC Cc1cc(Oc2ccc(C(F)(F)F)cc2NC=C(C#N)C#N)cc(C)c1Cl 1036293 KMNAFJGZVCQRCT-UHFFFAOYSA-N 391.780 6.111 50 30 GKGC O=C(/C=C/c1ccccc1)[C@H](Br)[C@@H](Br)c1ccccc1 100045925 QWRCGOMWOXYYBU-YFXCHKOLSA-N 394.106 5.169 50 30 GKGC O=C(NN(Cc1c(F)cccc1Cl)c1ccccc1)c1ccc(Cl)cc1 4300339 IVGCHQDPJQSCOV-UHFFFAOYSA-N 389.257 5.484 50 30 GKGC CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCCl)cc1)c1ccccc1 33826738 QDLAEGCSWYNGSD-WCWDXBQESA-N 378.899 6.379 50 30 GKGC CC(C)=CCC/C(C)=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100512809 CPICCPMSLMLNOL-YYDJUVGSSA-N 399.538 6.673 50 30 GKGC CO[Si](C)(OCC[C@H](C)CCC=C(C)C)OCC[C@H](C)CCC=C(C)C 198017401 KVEVRQDPBKMHSS-FGZHOGPDSA-N 384.677 6.780 50 30 GKGC Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNc1ccc(C(C)C)cc1 1032331 AVPUJUDJTDRWCK-UHFFFAOYSA-N 387.842 5.323 50 30 GKGC CCCCCCCCCCCC[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Cl 95713094 ZLIHXFIEQYYLQD-LJQANCHMSA-N 383.916 6.419 50 30 GKGC COc1ccc(N/C=C(\C#N)C(=O)c2cc(-c3ccc(Cl)cc3)oc2C)cc1 1046785 LTWNJEQXLWMAOL-DTQAZKPQSA-N 392.842 5.619 50 30 GKGC C[Si](C)(Cc1ccccc1Cl)O[Si](C)(C)Cc1ccccc1Cl 238791530 IOEDGKMIBFFCGX-UHFFFAOYSA-N 383.467 6.284 50 30 GKGC CCO/C=N\C1=C(C#N)[C@@H](c2ccc(Cl)cc2)c2ccc3ccccc3c2O1 13464914 RDQJOUNBJWOIIP-IDEIYSCTSA-N 388.854 5.817 50 30 GKGC O=C(Cl)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 38647462 NJKFWXUBFGNOOC-UHFFFAOYSA-N 377.576 6.698 50 30 GKGC N#C/C(=C\c1ccsc1Sc1ccc(Cl)cc1)C(=O)c1cccs1 4361588 MNCJBMIZJIIRTC-JLHYYAGUSA-N 387.938 6.404 50 30 GKGC N#C/C(=C\c1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1)c1ccccn1 4347855 QPTSNNDGFGPGOV-GHRIWEEISA-N 394.352 5.384 50 30 GKGC CCCCCCO[Si](CCCN)(OCCCCCC)OCCCCCC 195768268 AHGOFHPILSLAMS-UHFFFAOYSA-N 389.697 6.065 50 30 GKGC N#C/C(=C\c1ccc(C(F)(F)F)cc1)c1cn(C(=O)C2CCC2)c2ccccc12 1041360 ONPSXFHDVHIJDC-SFQUDFHCSA-N 394.396 6.165 50 30 GKGC Cc1cc(Cl)ccc1NNC(=O)c1c(-c2c(F)cccc2Cl)noc1C 1032330 WSLAGNTYDUIECC-UHFFFAOYSA-N 394.233 5.161 50 30 GKGC COc1ccc(N/C=C(\C#N)C(=O)c2sc(SC)c3c2CCC=C3)cc1 2153418 HXBWBJQBIYDZGB-OUKQBFOZSA-N 382.510 5.140 50 30 GKGC CC(C)(C)[Si](C)(C)OCCOCCOCCO[Si](C)(C)C(C)(C)C 230589615 PRHMXCJJJAXWPE-UHFFFAOYSA-N 378.702 5.063 50 30 GKGC Cc1ccccc1N/C=C(\C#N)C(=O)c1cc(-c2ccc(Cl)cc2)oc1C 3467888 VEYQHXFMRQELJP-GHRIWEEISA-N 376.843 5.919 50 30 GKGC CC(C)(C)c1csc(-c2ccc(/C=C(\C#N)C(=O)c3cccs3)cc2)n1 4350807 DOFYWPRGNOKWMI-LFIBNONCSA-N 378.522 5.959 50 30 GKGC ClC1=C(Cl)[C@@]2(Cl)[C@@H]3CC[C@H](Cl)[C@H]3[C@@]1(Cl)C2(Cl)Cl 101159108 DRKYTUDHOKREMS-QMOXPYRXSA-N 375.337 5.466 50 30 GKGC CC1(C)OC[C@@]2(C)[C@H]3[C@H](O)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@]3(C)CC[C@H]2O1 196213643 NASUYXAMVCBSBJ-CQSOASKCSA-N 398.660 5.106 50 30 GKGC COc1cc(CNC(=O)CCCCCCCC(C)C)ccc1O[Si](C)(C)C 195782270 ZVOJMXXTFMYRAG-UHFFFAOYSA-N 393.644 5.912 50 30 GKGC O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(F)cc1 148310688 YYVUYAQWWNSMDJ-UHFFFAOYSA-N 399.425 5.003 50 30 GKGC CCOC(=O)/C(C#N)=C1\SC=C(c2ccccc2)N1c1c(C)cccc1C 1024538 ZLLDUVSFEOMJDT-UZYVYHOESA-N 376.481 5.154 50 30 GKGC Cc1c(C)c(C)c(CSCC(=O)N/N=C/C=C/c2ccccc2)c(C)c1C 3157742 OTHIZCGDFUVDDT-ZYJPAGDWSA-N 380.557 5.277 50 30 GKGC CCCCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C 195812038 XUWFUXWTRJNRPW-UHFFFAOYSA-N 380.826 6.060 50 30 GKGC Cc1ccc(NNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1Cl 1032167 JWJBOJOBHSRJQF-UHFFFAOYSA-N 394.233 5.161 50 30 GKGC C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(C)O[Si](C)(C)C 604970752 DVEUJDWURSKKQN-YMFKIXATSA-N 376.657 6.208 50 30 GKGC in-vitro CSC(SC)=C(C#N)C(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1 1039687 NJNQYYWWOHSWRA-UHFFFAOYSA-N 399.484 6.078 50 30 GKGC Cc1c(C(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])cc2)sc2ccc(Cl)cc12 4365826 MQQVEZVVGJTTCM-JYRVWZFOSA-N 382.828 5.561 50 30 GKGC CC(=O)C(C)(C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C 195876568 AACGCDKKIYMEBI-KRWDZBQOSA-N 388.741 6.404 50 30 GKGC in-vitro CCCCCCCCCCCCCCCCCC[N+](C)(C)C[C@@H](O)CCl 95858341 XERREUIGCGXTDG-QHCPKHFHSA-N 391.104 6.924 50 30 GKGC O=C(Nc1ccccc1Sc1ccc(Cl)cc1[N+](=O)[O-])C(Cl)Cl 1025156 VOCGNUDSNMZJAP-UHFFFAOYSA-N 391.663 5.142 50 30 GKGC Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)/C(C#N)=C/c1ccc(Cl)cc1 4390678 OJMDZUBPXYVPFV-MHWRWJLKSA-N 382.246 6.352 50 30 GKGC CCO/C=N\C1=C(C#N)[C@H](c2ccc(Cl)cc2)c2ccc3ccccc3c2O1 13464917 RDQJOUNBJWOIIP-WZRHPCBOSA-N 388.854 5.817 50 30 GKGC CCCC/C=C/C=C\C=C\CCCCCCCC(=O)NNCc1ccccc1 223503336 WPGSXPGVJKNECJ-MRZTUZPCSA-N 382.592 6.397 50 30 GKGC CCO/C=N\C1=C(C#N)[C@H](c2ccc(OC)cc2)c2ccc3ccccc3c2O1 4323906 ZERAPKZRVFVJAC-XLBQOGMNSA-N 384.435 5.173 50 30 GKGC Cc1cc2c(cc1C=C(C#N)C#N)[C@H](C)CC(C)(C)N2CCCNc1ccccc1 205034855 CRMGFDJMBMOJQE-HXUWFJFHSA-N 398.554 6.020 50 30 GKGC O=C(CN1c2ccccc2Sc2ccccc21)N/N=C/c1ccc(Cl)cc1 4334434 NCVYEHIMKMRBGA-YDZHTSKRSA-N 393.899 5.093 50 30 GKGC ClC1=C(Cl)[C@@]2(Cl)[C@@H]3CC[C@@H](Cl)[C@H]3[C@@]1(Cl)C2(Cl)Cl 101159109 DRKYTUDHOKREMS-VVZGCNPUSA-N 375.337 5.466 50 30 GKGC CC(C)c1cc(C(C)(C)OOC(C)(C)C)cc(C(C)(C)OOC(C)(C)C)c1 111413706 MOMVINJLAGHGBN-UHFFFAOYSA-N 380.569 6.774 50 30 GKGC CC1(C)[C@@H]2C[C@@H]1C[C@@H]1OB([C@H](Cl)CCO[Si](C)(C)C(C)(C)C)O[C@@]12C 1565503724 GDOGEJFKMFNHIQ-LAIHZFQQSA-N 386.845 5.273 50 30 GKGC CC(C)[Si](Oc1ccc(C=O)cc1-c1cccc(Cl)c1)(C(C)C)C(C)C 197679663 IVQUAIZTYWJLKK-UHFFFAOYSA-N 389.011 7.374 50 30 GKGC