smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cn1c(CCl)nsc1=NC(=Nc1ccccc1)c1ccccc1 725274008 OMAJUAIZNYQVBQ-UHFFFAOYSA-N 342.855 3.900 50 30 EHGC COC(=O)c1ccccc1C(=O)c1ccc(CBr)cc1 95936159 QTAFIJHJKANVIY-UHFFFAOYSA-N 333.181 3.599 50 30 EHGC Cc1ccc([C@@H](Br)[C@H](Br)C(=O)O)c(C)c1 1535647618 WCDRWPKYDUWLCP-ZJUUUORDSA-N 336.023 3.588 50 30 EHGC O=C1[C@@H](Br)CCCN1Cc1cccc(C(F)(F)F)c1 70494414 FDIKSCCJXGNSJK-NSHDSACASA-N 336.151 3.591 50 30 EHGC in-vitro CSC1=C(C#N)C(=O)N[C@H](c2ccc(Cl)cc2Cl)S1 140028 NIMVBAKYWNHIMQ-NSHDSACASA-N 331.249 3.953 50 30 EHGC O=C(NN=Cc1ccc(Sc2ccccn2)o1)c1cccc(F)c1 1084057853 VDKNIVFIPSLUFD-UHFFFAOYSA-N 341.367 3.729 50 30 EHGC O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc(Cl)cc(Cl)c1O 100221580 ZSYGVDBGCAVEJD-UHFFFAOYSA-N 328.107 3.826 50 30 EHGC N#CC(=C1SCCCS1)S(=O)(=O)c1ccc(Cl)cc1 94820 MHEDMMLNLKLBJT-UHFFFAOYSA-N 331.871 3.676 50 30 EHGC O=C(COc1c(Cl)cc(Cl)cc1Cl)NN=Cc1ccc[nH]1 888075866 NVEDPFICKAIHKD-UHFFFAOYSA-N 346.601 3.504 50 30 EHGC Cc1nc(-n2cccc2)sc1C(=O)N/N=C/c1ccccc1Cl 121375 VIHKDAGLMFRBPB-VCHYOVAHSA-N 344.827 3.660 50 30 EHGC CC(C)(C)OC(=O)N1C(=O)[C@@H]2C[C@H]2[C@H]1CO[Si](C)(C)C(C)(C)C 203826266 YSYBLOHEQJEDNI-JHJVBQTASA-N 341.524 3.790 50 30 EHGC Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)NN(C)C 75663 ULIQNAXXQGJQHQ-UHFFFAOYSA-N 329.187 3.555 50 30 EHGC CC[C@@H](C)COc1cc([N+](=O)[O-])c(CBr)cc1OC 50425643 AFWIKLLYPFNHPH-SECBINFHSA-N 332.194 3.923 50 30 EHGC in-vitro O=C(NN=Cc1cnc(Cl)s1)c1ccc(C(F)(F)F)cc1 254756564 UKBIEAYOHBRUDB-UHFFFAOYSA-N 333.722 3.579 50 30 EHGC CSC1=C(C#N)C(=O)N[C@H](c2c(Cl)cccc2Cl)S1 140017 MWKKBRFFHRCLSC-NSHDSACASA-N 331.249 3.953 50 30 EHGC N#C/C(=C\Nc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 18258571 HDTBDPOVBNKPFE-XNTDXEJSSA-N 336.775 3.730 50 30 EHGC O=C(NNc1ncccc1-n1cccc1)Nc1ccc(Cl)cc1 110118 QOANWSGRDMNCTP-UHFFFAOYSA-N 327.775 3.674 50 30 EHGC N#CC(/N=C/c1cccs1)=C(\C#N)NCc1cccc(Cl)c1 3185901 PGKXGWGJYXXBSA-NSDPRZFUSA-N 326.812 3.869 50 30 EHGC C[C@H]1COP(c2ccccc2)(c2ccccc2)(c2ccccc2)O1 100046466 CYLNOCGJEVHIHT-SFHVURJKSA-N 336.371 3.782 50 30 EHGC CC1=C(C#N)[C@@H](c2ccc(N(C)C)cc2Cl)C2=C(CCCC2=O)N1 19924831 QTMKIFNJIPPYDM-GOSISDBHSA-N 341.842 3.897 50 30 EHGC C[C@@H](CC(=O)OOC(C)(C)C)CC(C)(C)C(=O)OOC(C)(C)C 100110544 IKOFWYNODUERAF-LBPRGKRZSA-N 332.437 3.976 50 30 EHGC CC(C)(C)OC(=O)N1C[C@@H](Br)C[C@H](C(F)(F)F)C1 685945759 PQBYBLZEIQYKMP-YUMQZZPRSA-N 332.160 3.569 50 30 EHGC CC(C)(C)c1ccc(C(=O)NNc2ncccc2-n2cccc2)cc1 110101 PUKTXMSCHKSWGW-UHFFFAOYSA-N 334.423 3.927 50 30 EHGC COc1ccccc1N/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1 165792 WEVVZEHPUMUISE-SDNWHVSQSA-N 348.811 3.599 50 30 EHGC N#C/C(=C/c1cccs1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 33362971 LDZRFKBGORRQHP-WDZFZDKYSA-N 344.339 3.500 50 30 EHGC Cc1cc(N/C=C(\C#N)C(=O)c2cc(C)oc2C(F)(F)F)no1 4390685 OUQPROXAPPDXQX-RMKNXTFCSA-N 325.246 3.606 50 30 EHGC Cc1ccc([C@H](Br)[C@H](Br)C(=O)O)c(C)c1 1535647614 WCDRWPKYDUWLCP-UWVGGRQHSA-N 336.023 3.588 50 30 EHGC CC(C)(C)c1csc(-c2ccc(/C=N/C(C#N)=C(\N)C#N)cc2)n1 148804 FYVHEFOEYOVVSQ-OYLJSEGASA-N 335.436 3.744 50 30 EHGC CSC1=C(C#N)C(=O)N[C@@H](c2c(Cl)cccc2Cl)S1 140015 MWKKBRFFHRCLSC-LLVKDONJSA-N 331.249 3.953 50 30 EHGC C[C@H](CC(C)(C)CC(=O)OOC(C)(C)C)C(=O)OOC(C)(C)C 111909016 BXBGCAYZSCEGBY-GFCCVEGCSA-N 332.437 3.976 50 30 EHGC C[C@@](CO[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C 195810126 WVOZKTFEMFSGRX-ZDUSSCGKSA-N 336.653 3.826 50 30 EHGC N#CC(C#N)=C1NC2=C(Cc3ccccc32)C(c2cccs2)=C1C#N 79930 BJMSZRYOVWTIDU-UHFFFAOYSA-N 338.395 3.897 50 30 EHGC CN(C)C(=O)C(CCBr)(c1ccccc1)c1ccccc1 96341836 GTQMKRZWRROSKH-UHFFFAOYSA-N 346.268 3.846 50 30 EHGC CCCCC#Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)o1 4364167 RFGWOESYWPUBMA-UHFFFAOYSA-N 344.798 3.550 50 30 EHGC COC(=O)c1c(C)[nH]c(C)c1/C=C(\C#N)C(=O)c1ccc(Cl)cc1 4363462 XHPHWRBKDNQZRZ-MDWZMJQESA-N 342.782 3.861 50 30 EHGC FCC(CCI)(C(F)(F)F)C(F)(F)F 72099134 NTUGVPXTFRMISI-UHFFFAOYSA-N 338.004 3.892 50 30 EHGC CC[C@H](C)COc1cc([N+](=O)[O-])c(CBr)cc1OC 50425645 AFWIKLLYPFNHPH-VIFPVBQESA-N 332.194 3.923 50 30 EHGC in-vitro N#C/C(NCc1ccccc1)=C(\C#N)NCc1c(F)cccc1Cl 165741 GXEVLTKTAWLRIJ-ZCXUNETKSA-N 340.789 3.617 50 30 EHGC N#C/C(=C\Nc1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1 100219292 HVGQCKNAGZFFSM-XNTDXEJSSA-N 336.775 3.730 50 30 EHGC COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2Cl)s1 95256 UZDIUAHWHJAJMW-DHZHZOJOSA-N 339.825 3.748 50 30 EHGC C[Si](C)(C)O[C@H](C#N)c1cccc(I)c1 308803841 NINWETQORAVXMP-LLVKDONJSA-N 331.229 3.707 50 30 EHGC COc1ccc2cc([C@H](C)C(=O)N/N=C/c3ccccc3O)ccc2c1 103468 HJRMBJIIHDEQCN-KOUDTOEKSA-N 348.402 3.808 50 30 EHGC NC(=O)N1c2ccccc2C(=O)[C@H](Br)c2ccccc21 65734994 PMENNHUFHRUBMF-CYBMUJFWSA-N 331.169 3.536 50 30 EHGC in-vitro CSc1ncccc1C(=O)NNc1cc(Cl)ccc1Cl 146607 NXAFAVTZLWXGJT-UHFFFAOYSA-N 328.224 3.867 50 30 EHGC Cc1ccc(N/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 2158556 UXIYCRLABNQSGE-LFIBNONCSA-N 332.812 3.899 50 30 EHGC CC(=O)/C(C#N)=C(\N)SCc1csc(-c2ccc(Cl)cc2)n1 3170983 YSBWTPHSHRLKRW-BUHFOSPRSA-N 349.868 3.980 50 30 EHGC COc1cccc(C(=O)NNc2ncc(C(F)(F)F)cc2Cl)c1 77939 JLTBXBAIYYHCRI-UHFFFAOYSA-N 345.708 3.519 50 30 EHGC COc1ccc(C(C)=NNC(=O)c2sccc2-n2cccc2)cc1 254384522 SUHWZIWTHCCPLI-UHFFFAOYSA-N 339.420 3.701 50 30 EHGC O=C(NN=Cc1ccc(Cl)cc1)c1sccc1-n1cccc1 12961498 BTCFAVHDFYNYGR-UHFFFAOYSA-N 329.812 3.956 50 30 EHGC N#C/C(NCc1cccs1)=C(\C#N)NCc1c(F)cccc1Cl 20432622 ZOBHHNUDEASLEW-NXVVXOECSA-N 346.818 3.679 50 30 EHGC CC(C)(C)OC(=O)N1C[C@@H](Br)C[C@@H](C(F)(F)F)C1 685945758 PQBYBLZEIQYKMP-SFYZADRCSA-N 332.160 3.569 50 30 EHGC CCS(=O)(=O)c1ccc([C@@H](Br)c2ccccc2)cc1 38648161 MCLAVHQBTIMMCD-HNNXBMFYSA-N 339.254 3.965 50 30 EHGC COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 94342 AOOCURVXVIMUPJ-RIYZIHGNSA-N 340.335 3.685 50 30 EHGC CC(C)(C=O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195926121 SVTRUWIKJCDMKE-UHFFFAOYSA-N 340.539 3.788 50 30 EHGC O=C(NNc1ccc(-c2csnn2)cc1)c1ccc(Cl)cc1 106614 BPDNMNIZKQZNKF-UHFFFAOYSA-N 330.800 3.615 50 30 EHGC O=C(CCCCl)ON=C1C(=O)N(c2ccccc2)c2ccccc21 254372440 XDNCIDSBXPMKHP-UHFFFAOYSA-N 342.782 3.631 50 30 EHGC CC(C)(C)S(=O)(=O)/C(C#N)=C/Nc1ccc(OC(F)(F)F)cc1 125686 CSFNXBMHFQEMBP-FMIVXFBMSA-N 348.346 3.575 50 30 EHGC O=C(CBr)c1cc(-c2ccc(Br)cc2)on1 8700363 FPINDFNBLMDBOV-UHFFFAOYSA-N 344.990 3.682 50 30 EHGC C#C/C=C/C[C@@H]1O[C@H]2C[C@@H]1O[C@H](CC)[C@@H](Br)C[C@@H]2Cl 145299182 VRGYZGMXCGNRKB-KZZJSKRPSA-N 347.680 3.662 50 30 EHGC O=C(NNc1nc(-c2cccs2)ns1)c1ccc(Cl)cc1 127492 ZFQVZYRNKXDEMC-UHFFFAOYSA-N 336.829 3.677 50 30 EHGC COc1ccc2cc([C@@H](C)C(=O)N/N=C/c3ccccc3O)ccc2c1 103477 HJRMBJIIHDEQCN-CYGNYLSHSA-N 348.402 3.808 50 30 EHGC C=CCN1C(c2ccc(C)cc2)=CS/C1=C(\C#N)C(=O)OCC 105615 XMWFSDDELTYFSS-BMRADRMJSA-N 326.421 3.827 50 30 EHGC Cc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)sc2N)o1 160408 SHDYGAQDIKUAAV-VXLYETTFSA-N 325.393 3.663 50 30 EHGC CC(C)(C)OC(=O)N1C(=O)[C@@H]2C[C@@H]2[C@@H]1CO[Si](C)(C)C(C)(C)C 306147429 YSYBLOHEQJEDNI-XQQFMLRXSA-N 341.524 3.790 50 30 EHGC CC1(C)N=C(SSC2=NC(C)(C)[N+](=O)C2(C)C)C(C)(C)N1O 409419468 PQKKANZDONHSKN-UHFFFAOYSA-N 345.514 3.692 50 30 EHGC Cc1onc(-c2ccccc2)c1C(=O)NNc1ccc(F)cc1F 152986 UNHMKOJBKDOFRB-UHFFFAOYSA-N 329.306 3.685 50 30 EHGC CC(=O)Nc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1 1045832 RVRUNTBBKINKEK-FYJGNVAPSA-N 337.423 3.706 50 30 EHGC Cc1ccc(S(=O)(=O)c2ccc(CBr)cc2)cc1 3098719 NIJUFNRIEGWRMV-UHFFFAOYSA-N 325.227 3.723 50 30 EHGC ICCCOc1ccc(-n2cccc2)cc1 44857460 LOMOAXGWOFOIMM-UHFFFAOYSA-N 327.165 3.681 50 30 EHGC COc1ccc([C@@H](CBr)CNC(=O)OC(C)(C)C)cc1 299805620 XUNUOHKHWIWMBU-LBPRGKRZSA-N 344.249 3.698 50 30 EHGC O=C(N/N=C/c1ccccc1Cl)N/N=C/c1ccccc1Cl 171911 RQJZRYQANFTPKN-VNIJRHKQSA-N 335.194 3.661 50 30 EHGC COC(=O)Cc1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1 195778401 FEJIDTGNNIEXSI-UHFFFAOYSA-N 326.541 3.830 50 30 EHGC COc1cc(Br)c(OCCCl)cc1Br 137464941 HTVPBTWCGJEGRJ-UHFFFAOYSA-N 344.430 3.838 50 30 EHGC CC(C)(C)OC(=O)N1C[C@H](Br)C[C@@H](C(F)(F)F)C1 685945756 PQBYBLZEIQYKMP-HTQZYQBOSA-N 332.160 3.569 50 30 EHGC CC(C)(C)/C=N/NC(=O)c1nc(-c2ccc(C(C)(C)C)cc2)no1 115326 HOBAPUMHYNJASX-YBFXNURJSA-N 328.416 3.796 50 30 EHGC Cc1c(C(=O)NNC(C)C)[nH]c2ccc(OCc3ccccc3)cc12 2032648 RLJOFJVMMNUCPH-UHFFFAOYSA-N 337.423 3.698 50 30 EHGC N#C/C(=C\Nc1ccccn1)C(=O)c1ccc(OC(F)(F)F)cc1 6270231 QNSFHGCNSDYESA-ZRDIBKRKSA-N 333.269 3.682 50 30 EHGC N#CC(/N=C/c1ccccc1)=C(\C#N)NCc1c(F)cccc1Cl 3185944 VJXVREZSHMBKFC-LZEWUHKYSA-N 338.773 3.947 50 30 EHGC N#C/C(N)=C(/C#N)NCc1ccccc1Sc1ccc(Cl)cc1 125772 UTIJARIMGISELY-FOCLMDBBSA-N 340.839 3.798 50 30 EHGC CC(C)(CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195878382 DJXIIERCRTXTPW-UHFFFAOYSA-N 342.555 3.582 50 30 EHGC CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccco1 158758 KOMHJJHVUAOJCN-SDNWHVSQSA-N 333.347 3.602 50 30 EHGC CCN(CCOC(=O)c1ccccc1)c1ccc(C=C(C#N)C#N)cc1 38636051 PMUMOWURAMVFIJ-UHFFFAOYSA-N 345.402 3.800 50 30 EHGC C[Si](C)(C)Oc1ncc(Br)c(O[Si](C)(C)C)n1 195787581 YKWXYMHPDZTFOY-UHFFFAOYSA-N 335.350 3.667 50 30 EHGC COC(=O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 49793871 XJYXXRULRXAGEE-UHFFFAOYSA-N 336.428 3.567 50 30 EHGC Nc1ccccc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl 90738 WHLWXZSSWFLGQZ-UHFFFAOYSA-N 330.602 3.986 50 30 EHGC C[C@@H](CC(C)(C)CC(=O)OOC(C)(C)C)C(=O)OOC(C)(C)C 111909014 BXBGCAYZSCEGBY-LBPRGKRZSA-N 332.437 3.976 50 30 EHGC COc1cccc(-c2csc(NNC(=O)c3cccs3)n2)c1 1036627 HERMZKVIZDMATB-UHFFFAOYSA-N 331.422 3.637 50 30 EHGC COc1ccc(C(=O)Nc2ccccc2C(=O)C(Cl)Cl)cc1 100103937 SKULSLBWSNXMLG-UHFFFAOYSA-N 338.190 3.934 50 30 EHGC CO[Si](OC)(c1cccc2ccccc12)c1cccc2ccccc12 195867148 WBHGKPLIBNATGB-UHFFFAOYSA-N 344.486 3.842 50 30 EHGC Cc1cc(C(F)(F)F)cc(NNC(=O)c2ccc(Cl)cc2)n1 141914 ONYCHFACZNULGS-UHFFFAOYSA-N 329.709 3.819 50 30 EHGC CN(C)NC(=O)Nc1csnc1-c1c(Cl)cccc1Cl 76462 BVHJXDXDXNWUKA-UHFFFAOYSA-N 331.228 3.715 50 30 EHGC COc1ccc(C=CC=C(C#N)S(=O)(=O)c2ccccc2)cc1 2265272102 ZGPQETDNYPENIC-UHFFFAOYSA-N 325.389 3.590 50 30 EHGC C[S@](=O)(=N/C=C(\C#N)C(=O)c1ccco1)c1ccc(Cl)cc1 125484 CJDJCYHJLWAYOB-NELJVSICSA-N 334.784 3.680 50 30 EHGC CON=C(CBr)c1sc(-c2ccccc2)nc1C 254821720 DSQLNEUNNZNSGG-UHFFFAOYSA-N 325.231 3.864 50 30 EHGC N#C/C(=C\c1ccc(F)cc1F)S(=O)(=O)c1ccc(Cl)cc1 106234 BKPXSFVDTIOZEU-VGOFMYFVSA-N 339.750 3.957 50 30 EHGC Cc1ccc(C=NNC(=O)COc2ccc(C(F)(F)F)cc2)cc1 2265276307 QEFMBJCLLSHZFJ-UHFFFAOYSA-N 336.313 3.543 50 30 EHGC O=C(NNc1ncccc1C(F)(F)F)c1cccc(C(F)(F)F)c1 77981 XZEHNOVYRBYTRI-UHFFFAOYSA-N 349.234 3.876 50 30 EHGC CN(C)C(CC=NOCc1c(Cl)cccc1Cl)=C(C#N)C#N 254833811 MAOMXYWINFROPH-UHFFFAOYSA-N 337.210 3.749 50 30 EHGC O=C(N/N=C/c1ccccc1O)c1ccccc1Oc1ccccc1 98606 FZKKDNTUEAILJZ-KGENOOAVSA-N 332.359 3.948 50 30 EHGC C[Si](C)(C)O[C@@H](C#N)c1cccc(I)c1 308803845 NINWETQORAVXMP-NSHDSACASA-N 331.229 3.707 50 30 EHGC CN(C)C(CC=NOCc1cccc(Cl)c1Cl)=C(C#N)C#N 254331422 YTSPAQPOHCVDME-UHFFFAOYSA-N 337.210 3.749 50 30 EHGC CC1=C(C#N)[C@@H](c2c[nH]nc2-c2cccs2)C2=C(CCCC2=O)N1 19834822 PBGBTFHCMCMSQU-INIZCTEOSA-N 336.420 3.630 50 30 EHGC Nc1sc(-c2ccccc2)cc1C(=O)N/N=C/c1cccs1 160400 AIINVDLXGRQIOM-VCHYOVAHSA-N 327.434 3.823 50 30 EHGC CCS(=O)(=O)c1ccc([C@H](Br)c2ccccc2)cc1 38648159 MCLAVHQBTIMMCD-OAHLLOKOSA-N 339.254 3.965 50 30 EHGC COc1ccc(CO[Si](C)(OC)OCc2ccc(OC)cc2)cc1 198014772 YUBFYHAQFBDPOF-UHFFFAOYSA-N 348.471 3.652 50 30 EHGC CC(C)(C)OC(=O)N[C@H]1CC[C@H](CI)CC1 885163393 TXUVIAIKVHYALX-MGCOHNPYSA-N 339.217 3.505 50 30 EHGC CC(C)(C)OC(=O)N1C(=O)[C@@H]2C[C@H]2[C@@H]1CO[Si](C)(C)C(C)(C)C 306147428 YSYBLOHEQJEDNI-UPJWGTAASA-N 341.524 3.790 50 30 EHGC CCOOP(=O)(OOCC)[C@@]1(CCc2ccccc2)CCCN1 205481077 IABRNRBRVRMJSS-MRXNPFEDSA-N 343.360 3.828 50 30 EHGC CC(C)(C)OC(=O)N1CCc2ccc(CBr)cc2CC1 117116703 ZGERKFKYESJACP-UHFFFAOYSA-N 340.261 3.917 50 30 EHGC COc1ccccc1C(=O)NNc1ncc(C(F)(F)F)cc1Cl 77957 IKSIYXZDHHVCSA-UHFFFAOYSA-N 345.708 3.519 50 30 EHGC O=C(NN=Cc1cc(C(F)(F)F)ccn1)c1ccc(Cl)cc1 1082837688 KYYZTJFIAWFNSI-UHFFFAOYSA-N 327.693 3.518 50 30 EHGC COc1ccccc1NNC(=O)c1cccnc1Oc1ccccc1 152146 VHUCNNCHRSRCQU-UHFFFAOYSA-N 335.363 3.639 50 30 EHGC COc1ccc2c3c1O[C@H]1C4(CC[C@H](C=C2)[C@@]31CCCl)OCCO4 2265351902 MUDYJHACNYRYGZ-VHSSKADRSA-N 348.826 3.503 50 30 EHGC CCOC(=O)/C(C#N)=C/c1ccc(OC)c(OCc2ccccc2)c1 69795 JNAKVTHLTPNBBB-GZTJUZNOSA-N 337.375 3.744 50 30 EHGC N#C/C(=C\Nc1cccnc1)C(=O)c1ccc(OC(F)(F)F)cc1 148927 KHONPFNGFRAVSG-FMIVXFBMSA-N 333.269 3.682 50 30 EHGC NC(=O)N1c2ccccc2C(=O)[C@@H](Br)c2ccccc21 65734993 PMENNHUFHRUBMF-ZDUSSCGKSA-N 331.169 3.536 50 30 EHGC in-vitro N#C/C(=C\c1ccsc1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 77878 MGMLSGJCSQDZAX-VZUCSPMQSA-N 344.339 3.500 50 30 EHGC O=C(NNC(=S)Nc1cccc(Cl)c1)c1ccccc1Cl 67678 LGZJUEXPYWMHSF-UHFFFAOYSA-N 340.235 3.625 50 30 EHGC CCOC(=O)N/N=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 106151 UMBAVVQQGRRSCM-KPSZGOFPSA-N 328.212 3.804 50 30 EHGC CCOOP(=O)(OOCC)[C@]1(CCc2ccccc2)CCCN1 205481062 IABRNRBRVRMJSS-INIZCTEOSA-N 343.360 3.828 50 30 EHGC CC(C)COc1ccc(CN(CCCl)CCCl)cc1[N+](=O)[O-] 95832234 NRCJMSKTZHUHHB-UHFFFAOYSA-N 349.258 3.909 50 30 EHGC C[Si](C)(C)N[C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C 195789190 JRLJALOBTPYEJK-NSHDSACASA-N 337.710 3.726 50 30 EHGC Cc1ccc([C@@H](Br)[C@@H](Br)C(=O)O)c(C)c1 1535647605 WCDRWPKYDUWLCP-NXEZZACHSA-N 336.023 3.588 50 30 EHGC FC(F)(F)c1ccc2c(NCCCNCCCl)ccnc2c1 31598614 URKHVAXEPYKYKN-UHFFFAOYSA-N 331.769 3.884 50 30 EHGC CC(C)(C)c1cc2ncnc(NNC(=O)c3cccs3)c2s1 117115 LHEIEBRYULRKII-UHFFFAOYSA-N 332.454 3.807 50 30 EHGC Clc1ccc(-c2cnc3[n+](c2)[C@@H](CBr)CS3)cc1 1384252 JJFOMZFNUYFIMP-LBPRGKRZSA-N 342.669 3.731 50 30 EHGC Cc1cc(C)c(CSCC(=O)N/N=C/c2ccccc2O)c(C)c1 66667 NVJBRPMSKHBWBB-KEBDBYFISA-N 342.464 3.701 50 30 EHGC N#C/C(=C\c1c(F)cccc1Cl)S(=O)(=O)Cc1ccco1 125257 HDAJEWKEKDJLMZ-YRNVUSSQSA-N 325.748 3.552 50 30 EHGC COc1ccc(NC=C(C=CC#N)S(=O)(=O)c2ccccc2)cc1 2265270044 CYNIJVZHTUDTHY-UHFFFAOYSA-N 340.404 3.502 50 30 EHGC CN(NC(=O)c1ccccc1)c1ncc(C(F)(F)F)cc1Cl 108322 GEXQSVJTIOAQTN-UHFFFAOYSA-N 329.709 3.535 50 30 EHGC Cc1nc(-n2cccc2)sc1C(=O)N/N=C/c1ccc(Cl)cc1 121367 SKIKLSYGRUFYPN-VCHYOVAHSA-N 344.827 3.660 50 30 EHGC CC(C)(C)OC(=O)N1CCc2ccc(CBr)cc2C1 115749345 QRHMCSWGZOZYDE-UHFFFAOYSA-N 326.234 3.875 50 30 EHGC CSC1=C(C#N)C(=O)N[C@@H](c2ccc(Cl)cc2Cl)S1 140024 NIMVBAKYWNHIMQ-LLVKDONJSA-N 331.249 3.953 50 30 EHGC COc1ccc([C@H](CBr)CNC(=O)OC(C)(C)C)cc1 299805619 XUNUOHKHWIWMBU-GFCCVEGCSA-N 344.249 3.698 50 30 EHGC O=C1[C@H](Br)CCCN1Cc1cccc(C(F)(F)F)c1 70494415 FDIKSCCJXGNSJK-LLVKDONJSA-N 336.151 3.591 50 30 EHGC in-vitro CN(C)c1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 4347730 RGKNOLJECLRAJL-NTEUORMPSA-N 338.323 3.633 50 30 EHGC O=C(OCc1ccccc1)N1CCC(CCBr)CC1 90627682 OBTTXMHWNBHMNH-UHFFFAOYSA-N 326.234 3.820 50 30 EHGC CCOC(C[C@@H](COC(C)=O)CO[Si](C)(C)C(C)(C)C)OCC 504583112 XVWZDGSDOFIXPN-HNNXBMFYSA-N 348.556 3.977 50 30 EHGC N#C/C(=C\N1CCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 149504 XUBXDDMBRHHFHF-FOWTUZBSSA-N 344.823 3.541 50 30 EHGC CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](Br)C1 685945757 PQBYBLZEIQYKMP-JGVFFNPUSA-N 332.160 3.569 50 30 EHGC Cc1ccc([C@H](Br)[C@@H](Br)C(=O)O)c(C)c1 1535647616 WCDRWPKYDUWLCP-VHSXEESVSA-N 336.023 3.588 50 30 EHGC CNc1ccccc1C(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 145268 RLTARAGCMYAINN-UFWORHAWSA-N 338.194 3.505 50 30 EHGC CC1=CC(C)=[N+]2C1=C(CBr)c1c(C)cc(C)n1[B-]2(F)F 205445049 JLSHPOSUMKVMAP-UHFFFAOYSA-N 341.008 3.881 50 30 EHGC C[S@@](=O)(=N/C=C(\C#N)C(=O)c1ccco1)c1ccc(Cl)cc1 12366977 CJDJCYHJLWAYOB-NEQMZLFVSA-N 334.784 3.680 50 30 EHGC COc1ccc2nc(CBr)ccc2c1Br 2265385049 SDDWTPIGBGAMAY-UHFFFAOYSA-N 331.007 3.901 50 30 EHGC CN(C)C(CC=NOCc1ccc(Cl)cc1Cl)=C(C#N)C#N 254488501 VMFGTIOKDNCCDS-UHFFFAOYSA-N 337.210 3.749 50 30 EHGC N#C/C(=C\Nc1ccc2c(c1)C(=O)OC2)C(=O)c1ccc(Cl)cc1 170386 BAXLYEAEVMOZSJ-UKTHLTGXSA-N 338.750 3.713 50 30 EHGC CCCc1c(C(=O)NNc2ccc(C)cc2)cnn1-c1ccccc1 152142 MICCKLDJZMMZFR-UHFFFAOYSA-N 334.423 3.890 50 30 EHGC C=C[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](OO)c1ccnc2ccc(OC)cc12 604934390 PLUIOWBNJSBJSK-FQZPYLGXSA-N 340.423 3.671 50 30 EHGC N#C/C(=C\Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(Cl)cc1 149286 BNWHWVOJEOAGTO-ACCUITESSA-N 340.766 3.813 50 30 EHGC CC1=C(C#N)[C@H](c2ccc(N(C)C)cc2Cl)C2=C(CCCC2=O)N1 19924832 QTMKIFNJIPPYDM-SFHVURJKSA-N 341.842 3.897 50 30 EHGC COc1ccc2c3c1O[C@H]1C4(CC[C@@H](C=C2)[C@@]31CCCl)OCCO4 205156150 MUDYJHACNYRYGZ-XWIAVFTESA-N 348.826 3.503 50 30 EHGC O=C(CCc1ccc(O)cc1)N/N=C/c1ccc(Cl)c(Cl)c1 67445 UOVQSUXHNKKKLA-VXLYETTFSA-N 337.206 3.782 50 30 EHGC Cc1ccc(OCC(=O)N/N=C/c2ccccc2Cl)c2c1CCC2 81007 ROBIBINRZFOKQV-SRZZPIQSSA-N 342.826 3.666 50 30 EHGC C[C@H](CC(=O)OOC(C)(C)C)CC(C)(C)C(=O)OOC(C)(C)C 100110548 IKOFWYNODUERAF-GFCCVEGCSA-N 332.437 3.976 50 30 EHGC CC1=C(C#N)[C@H](c2c[nH]nc2-c2cccs2)C2=C(CCCC2=O)N1 19834824 PBGBTFHCMCMSQU-MRXNPFEDSA-N 336.420 3.630 50 30 EHGC BrCc1cc(Br)cnc1Br 71618949 WNSGYKIJKOYVCB-UHFFFAOYSA-N 329.817 3.502 50 30 EHGC CN(NC(=O)c1ccccc1)c1ncc(Cl)cc1C(F)(F)F 108327 FVDXYMGGSNLZOU-UHFFFAOYSA-N 329.709 3.535 50 30 EHGC C[C@](CO[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C 195810125 WVOZKTFEMFSGRX-CYBMUJFWSA-N 336.653 3.826 50 30 EHGC O=C(NNc1cc(C(F)(F)F)ccn1)c1cccc(C(F)(F)F)c1 78022 HRRSMCYVNFJQAS-UHFFFAOYSA-N 349.234 3.876 50 30 EHGC O=C(N/N=C/c1ccccc1)c1cc2cc(OC(F)(F)F)ccc2[nH]1 170880 LQKFGPRFQAUDBN-UFFVCSGVSA-N 347.296 3.830 50 30 EHGC