smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Nc1ccc(-c2nc3ccc(C(=O)O)c(S(=O)(=O)O)c3s2)cc1 95934879 KRIVNWDOFBMCPN-UHFFFAOYSA-N 350.377 2.490 0 30 FEAC COCCOc1ccc2nc(Nc3ccccc3)c(C(=O)O)c(=O)n2c1 1616057423 MWRJIJBDXSMPFK-UHFFFAOYSA-N 355.350 2.162 0 30 FEAC O=C(NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O)c1ccc(Cl)cc1Cl 2578154 ZXWJKONGKCQTQP-ZJUUUORDSA-N 357.193 2.421 0 30 FEAC CCN(Cc1cccc(S(=O)(=O)O)c1)c1cccc(S(=O)(=O)O)c1 199978815 UXAHNCGFDXFNPH-UHFFFAOYSA-N 371.436 2.207 0 30 FEAC CCOC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@H]21 238850702 CRXCVBKATZWTAR-DJKVBGFSSA-N 351.402 2.029 0 30 FEAC Cc1cnc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cn1 19834771 GRUZCKVWRNBTFO-UHFFFAOYSA-N 351.332 2.161 0 30 FEAC O=S(=O)(C[C@H](O)Cn1ccc(C(F)(F)F)n1)c1ccc(Cl)cc1 1028055 KGUQYCKDZZWTHS-SNVBAGLBSA-N 368.764 2.390 0 30 FEAC CC1(C)O[C@@H]2[C@H](OC(=O)c3ccccc3)O[C@@H]([C@H]3COC(C)(C)O3)[C@@H]2O1 202415405 JGSXTAWLEPFZIZ-MDLJMBGESA-N 364.394 2.240 0 30 FEAC COc1ccc(CCC(=O)O)cc1NS(=O)(=O)c1ccc(N)cc1 548593895 VHNSCSHXYVZTMR-UHFFFAOYSA-N 350.396 2.095 0 30 FEAC COC(=O)c1scc(NS(=O)(=O)c2ccccc2)c1C(=O)OC 1027098 ZVDQDSFHZLMGKO-UHFFFAOYSA-N 355.393 2.122 0 30 FEAC CC(C)(C)OC(=O)N1CC(Cn2cc(I)cn2)C1 382675565 ORCRBWWBEIZCIA-UHFFFAOYSA-N 363.199 2.355 0 30 FEAC O=C1c2ccccc2N[C@H](c2ccccn2)N1CCCN1CCOCC1 20421650 JGQRSSVDUOJHQV-IBGZPJMESA-N 352.438 2.370 0 30 FEAC O=C1C[C@@H]2[C@@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)O1 87493310 XYSPYIAAWRUEML-GYQXSDTBSA-N 372.339 2.314 0 30 FEAC COC(=O)c1cc(S(=O)(=O)Nc2nn(C)c3cccc(F)c23)oc1C 1028398 CTICSOXXZLJUBG-UHFFFAOYSA-N 367.358 2.201 0 30 FEAC Cc1c(C)c(C)c(NC(=O)/C=C/C(=O)O)c(NC(=O)/C=C/C(=O)O)c1C 3119385 VVALNJQDUQWVNL-KQQUZDAGSA-N 360.366 2.079 0 30 FEAC O=C1c2ccccc2N[C@@H](c2ccccn2)N1CCCN1CCOCC1 20421651 JGQRSSVDUOJHQV-LJQANCHMSA-N 352.438 2.370 0 30 FEAC CCOC(=O)c1cc(-c2ccnn2S(=O)(=O)c2ccc(C)cc2)on1 1031541 YEXBIGXCLMQZJH-UHFFFAOYSA-N 361.379 2.260 0 30 FEAC Cc1nn(C)c(O)c1C(=O)c1ccc(C(F)(F)F)cc1S(C)(=O)=O 36519702 DWSPRBSLSXQIEJ-UHFFFAOYSA-N 362.329 2.087 0 30 FEAC CN1C(=O)N[C@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C1=O 5044882 XRCPZWZQUCGFKR-HNNXBMFYSA-N 357.332 2.154 0 30 FEAC CCCc1cnc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)nc1 59595167 IVIYMBYVRINYRQ-UHFFFAOYSA-N 357.433 2.329 0 30 FEAC COC(=O)c1cc(OC)c(OC)cc1NC(=O)CC(C)(C)CC(=O)O 1028738 NENJTMBOIMSWGF-UHFFFAOYSA-N 353.371 2.320 0 30 FEAC CC1(C)OC(c2cc(F)ccc2S(=O)(=O)N2CCOCC2)OC1(C)C 230552578 UGFVAVNOFSKYSQ-UHFFFAOYSA-N 373.446 2.449 0 30 FEAC Nc1nc([C@H]2COc3ccccc3O2)ncc1S(=O)(=O)c1ccccc1 1040104 CRLKVVSQRDRQIK-OAHLLOKOSA-N 369.402 2.404 0 30 FEAC Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)o1 1032443 BILYORYWOUBJSR-UHFFFAOYSA-N 364.423 2.170 0 30 FEAC Ic1nc(C2CC2)[nH]c1I 116542287 DONOTUYMXTVNSS-UHFFFAOYSA-N 359.936 2.496 0 30 FEAC O=C(N[C@@H]1CCCCNC1=O)c1cnn(-c2ccccc2)c1C(F)(F)F 1034464 FVOYPJOAVPIYCF-CYBMUJFWSA-N 366.343 2.290 0 30 FEAC O=S(=O)(c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)s1 1038391 QNFRALOLHMDILB-UHFFFAOYSA-N 357.478 2.365 0 30 FEAC O=C(O)COCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 4334648 HOLCNOGKKORZNI-UHFFFAOYSA-N 366.417 2.002 0 30 FEAC O=S(=O)(c1ccc(-c2cc(C(F)(F)F)on2)s1)N1CCOCC1 1040133 XUNSQXOUYBOPAL-UHFFFAOYSA-N 368.358 2.443 0 30 FEAC CN1CCN(Cc2ccc(-n3cc4c(F)ccc(C(N)=O)c4n3)cc2)CC1 118477858 QVTBVRJTFJRPLE-UHFFFAOYSA-N 367.428 2.011 0 30 FEAC CN1CCN(c2cccc3[nH]c(=O)c(-c4nc5ccccc5[nH]4)c(N)c23)CC1 40976328 BBEVMAFPVMSMEU-UHFFFAOYSA-N 374.448 2.405 0 30 FEAC Ic1nc2n(c1I)CCCC2 142335881 XUBNJPMXHUPPJH-UHFFFAOYSA-N 373.963 2.429 0 30 FEAC COC(=O)[C@H](C=NNc1ncc(C(F)(F)F)cc1Cl)n1cncn1 254613263 ZCUVHUBAGDNGDM-VIFPVBQESA-N 362.699 2.157 0 30 FEAC C[C@H]1CCc2sc(C(=O)N3CCC[C@H](n4cc(CN)nn4)C3)cc2C1 333247754 GBFGCYPFNIZDAQ-WFASDCNBSA-N 359.499 2.400 0 30 FEAC COC(=O)CNC(=S)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 504799306 JTOFYTPQZNIWRT-ZDUSSCGKSA-N 352.456 2.212 0 30 FEAC Cc1nc(C)c(S(=O)(=O)NCc2nn(-c3ccccc3)nc2C)s1 1034897 QBQFVHAQAPIUDZ-UHFFFAOYSA-N 363.468 2.128 0 30 FEAC COCCCNC(=S)NNC(=S)Nc1cccc(C(F)(F)F)c1 3161862 YISVJGBFMOHOMJ-UHFFFAOYSA-N 366.434 2.407 0 30 FEAC O[C@H]1CCCC[C@@H]1NC1CCN(C[C@@H](O)Cn2ccc3ccccc32)CC1 4299561 YIKVGKGVFYPZHE-URVUXULASA-N 371.525 2.360 0 30 FEAC Nc1ccccc1S[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1=O 100395614 HYSYVOSMCOGGKQ-INIZCTEOSA-N 356.403 2.464 0 30 FEAC O=C1NC(=O)[C@@H](Cc2ccc(OCCc3ccc(C(=O)O)cn3)cc2)S1 22056103 SLOBZACXYXBLIT-OAHLLOKOSA-N 372.402 2.295 0 30 FEAC in-vitro CCOC(=O)C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@@H]12 238850703 CRXCVBKATZWTAR-KPLDXPABSA-N 351.402 2.029 0 30 FEAC CC(C)(C)OC(=O)Cn1ncc(Br)c(Br)c1=O 23558093 LCJXJGXIGLPFIW-UHFFFAOYSA-N 368.025 2.110 0 30 FEAC N[C@H]1CCCO[C@@H]1C1CCN(C(=O)COc2ccc(F)c(F)c2)CC1 1340334928 VHRMKIYHJZPXCE-FUHWJXTLSA-N 354.397 2.089 0 30 FEAC O=C(O)CN1C(=O)C(=NNc2ccc(Cl)cc2)c2ccccc2C1=O 254546064 QMDDJNNFLHZUKA-UHFFFAOYSA-N 357.753 2.223 0 30 FEAC C[C@@H](CCCC(C)(C)O)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 5734953 FIUYBIDMMLCVBY-JTQLQIEISA-N 362.879 2.047 0 30 FEAC CC1(C)[C@H]2CC[C@@]13CS(=O)(=O)N(C(=O)c1ccccc1C(=O)O)[C@H]3C2 72099234 UJCSAJNSMWSFHF-MIUNTBIASA-N 363.435 2.365 0 30 FEAC COC(=O)[C@@H]1C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)CN1 15446328 XFFQPNYZCFFNFT-DJJJIMSYSA-N 366.417 2.429 0 30 FEAC COC(=O)c1cccc(-c2ccc(B(O)OC(C)(C)C(C)(C)O)cc2)c1 200324851 IBURHPPTOKXFHS-UHFFFAOYSA-N 356.227 2.394 0 30 FEAC CSc1nnc(-c2ccc(S(=O)(=O)n3nc(C)cc3C)s2)n1C 1038163 IMEWLBLWYIMYJU-UHFFFAOYSA-N 369.497 2.316 0 30 FEAC Nc1cc(Br)c(N)c2c1C(=O)c1c(cccc1[N+](=O)[O-])C2=O 44710163 XSTBDPPWAZQHLQ-UHFFFAOYSA-N 362.139 2.297 0 30 FEAC Nc1nc([C@@H]2COc3ccccc3O2)ncc1S(=O)(=O)c1ccccc1 1040105 CRLKVVSQRDRQIK-HNNXBMFYSA-N 369.402 2.404 0 30 FEAC COc1ccccc1NC(=O)[C@@H](C(C)=O)c1nc(Cl)nc(Cl)n1 5167009 QFKHNOLBVWLNNR-JTQLQIEISA-N 355.181 2.498 0 30 FEAC O=C(NCCOC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 3131874 ZZGYPDWKWDPEDB-UHFFFAOYSA-N 351.828 2.386 0 30 FEAC O=C(O)COCC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C(F)(F)F 3983636 ATWGLBNRUNKTBY-HNNXBMFYSA-N 356.300 2.257 0 30 FEAC CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)[C@@H]2O 95616990 VPGOAWWHLRERHZ-OAHLLOKOSA-N 361.442 2.300 0 30 FEAC CN(n1cnc2ccsc2c1=O)S(=O)(=O)c1ccc(Cl)cc1 1024411 IPMKZEHYEONWFC-UHFFFAOYSA-N 355.828 2.068 0 30 FEAC O=S(=O)(NNc1nccc(-c2cccnc2)n1)c1ccccc1Cl 1040634 UJENXKBRAZCWGA-UHFFFAOYSA-N 361.814 2.497 0 30 FEAC CCCc1cnc(N2CCN(S(=O)(=O)c3cccs3)CC2)nc1 1032977 PHCMVKXIBCXCLL-UHFFFAOYSA-N 352.485 2.002 0 30 FEAC CNCCN1C(=O)[C@H](O)[C@H](c2ccc(OC)cc2)Sc2ccccc21 5996351 HNXJRKQNTGIDDU-MSOLQXFVSA-N 358.463 2.456 0 30 FEAC in-vitro CC1CCN(C(=O)Cn2c(SCC(=O)N(C)C)nc3ccccc32)CC1 4859197 MOWTYEDZOKYBKL-UHFFFAOYSA-N 374.510 2.475 0 30 FEAC Cc1ccc(S(=O)(=O)NCCNc2nccc(C(F)(F)F)n2)cc1 4299436 SDJSEQYZAUKVJS-UHFFFAOYSA-N 360.361 2.194 0 30 FEAC CC(=O)Nc1nc(-c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cs1 33894223 QYUOZZAYHGLHNF-VIFPVBQESA-N 351.453 2.479 0 30 FEAC CC(=O)c1ccc(N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 1033783 OQPTXBRVMXUCHY-UHFFFAOYSA-N 363.439 2.005 0 30 FEAC COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCc1ccc(OC)cc1 1029232 CVYQAAKVPFNKBO-UHFFFAOYSA-N 353.396 2.170 0 30 FEAC COc1ccc(NC(=O)c2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1 63151234 GNGXRNXEEAPTMN-UHFFFAOYSA-N 374.462 2.178 0 30 FEAC Cc1ccc(N2Cc3ccccc3C2=N)cc1S(=O)(=O)N1CCOCC1 642882983 DENRKPLXTZELOP-UHFFFAOYSA-N 371.462 2.361 0 30 FEAC C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)O 216729536 WSNKDPVQSFTVBN-UPJWGTAASA-N 372.462 2.159 0 30 FEAC CCOC(=O)c1[nH]c2ccc(C[C@@H]3COC(=O)N3)cc2c1CCN(C)C 26401455 WKXOFVDKSFHGRL-CYBMUJFWSA-N 359.426 2.100 0 30 FEAC CCOC(=O)COc1ccc(/C=C2\SC(=N)NC2=O)cc1OCC 15056792 WYVKGHZWHMYXGV-JYRVWZFOSA-N 350.396 2.166 0 30 FEAC Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 1033995 QKSRLDKYFKVZRH-UHFFFAOYSA-N 359.329 2.309 0 30 FEAC O[C@H]1CCCC[C@H]1NC1CCN(C[C@@H](O)Cn2ccc3ccccc32)CC1 4299559 YIKVGKGVFYPZHE-SJBKTWHCSA-N 371.525 2.360 0 30 FEAC CCOC(=O)N1CCc2c(sc3[nH]c(=O)n(-c4ccccc4)c(=O)c23)C1 1036197 HBFSGGQDSRXACT-UHFFFAOYSA-N 371.418 2.255 0 30 FEAC COc1cc(C(SCC(=O)O)SCC(=O)O)cc(OC)c1OC 2160570 JRTUBSRGQBERQQ-UHFFFAOYSA-N 362.425 2.347 0 30 FEAC CC(=O)Nc1nc(-c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cs1 33894221 QYUOZZAYHGLHNF-SECBINFHSA-N 351.453 2.479 0 30 FEAC CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C 39418406 XRCMSKXVQYEFOZ-OAQYLSRUSA-N 362.385 2.388 0 30 FEAC COc1nc2cc(Cl)c(Cl)c(NS(C)(=O)=O)c2nc1OC 199571167 SRXQKIRKEKXNQG-UHFFFAOYSA-N 352.199 2.325 0 30 FEAC CCN1C(=O)/C(=C\C=C2\Oc3ccccc3N2CCC(=O)O)N(C)C1=S 4774826 RBEISOUFHIQQGI-TVXJZBATSA-N 373.434 2.164 0 30 FEAC CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O[C@@H](C)C(C)=O 1851920 ZYOJXUNLLOBURP-LBPRGKRZSA-N 355.866 2.350 0 30 FEAC in-man N[C@@H]1CCCO[C@H]1C1CCN(C(=O)COc2ccc(F)c(F)c2)CC1 1340334926 VHRMKIYHJZPXCE-AEFFLSMTSA-N 354.397 2.089 0 30 FEAC COc1cc2[nH]nnc2cc1C(=O)NC1CCN(Cc2ccccc2)CC1 33940852 OXTOFRAJJGNAEW-UHFFFAOYSA-N 365.437 2.361 0 30 FEAC in-man COC(=O)c1cc(S(=O)(=O)NCCc2c[nH]c3ccccc23)oc1C 1026085 DSLCJVVMCCKRGO-UHFFFAOYSA-N 362.407 2.377 0 30 FEAC CN1C(=O)N[C@@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C1=O 5044881 XRCPZWZQUCGFKR-OAHLLOKOSA-N 357.332 2.154 0 30 FEAC CC(=O)N[C@@H]1CC[C@@H]2[C@@H]3C[C@@H](O)[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]12C 2265351563 MSASVOZCUXSEMB-QHOXJNEGSA-N 363.498 2.045 0 30 FEAC Cc1c(N)cc(S(=O)(=O)O)cc1Nc1nc(F)nc(F)c1Cl 33607609 NKOWDOOYFKMNCF-UHFFFAOYSA-N 350.734 2.289 0 30 FEAC COC(=O)C[C@@H](c1ccccc1)N1CCN[C@H](Cc2ccccc2)C1=O 96347664 AHOVCTZKWVNLRL-MOPGFXCFSA-N 352.434 2.334 0 30 FEAC O=C(NC1CCCCC1)NN1CC(=O)N(c2ccc(Cl)cc2)CC1=O 1036163 AKNNIYUWPBAXMB-UHFFFAOYSA-N 364.833 2.062 0 30 FEAC O=C(Nc1ccccc1)NN1CC(=O)N(c2ccc(Cl)cc2)CC1=O 1036162 YITZYSCNOQCUHC-UHFFFAOYSA-N 358.785 2.252 0 30 FEAC O=C(O)COCC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C(F)(F)F 3983637 ATWGLBNRUNKTBY-OAHLLOKOSA-N 356.300 2.257 0 30 FEAC C[C@@H]1CCc2sc(C(=O)N3CCC[C@@H](n4cc(CN)nn4)C3)cc2C1 333247752 GBFGCYPFNIZDAQ-IUODEOHRSA-N 359.499 2.400 0 30 FEAC CC(C)(O)C(C)(C)OB(O)c1ccc(NC(=O)NCc2ccccc2)cc1 200328105 HRNFTSPTKGMZCX-UHFFFAOYSA-N 370.258 2.262 0 30 FEAC O=C(CCc1nc(-c2ccccn2)no1)NCc1ccc2c(c1)OCO2 1033801 DLAOVRYYDJCYSM-UHFFFAOYSA-N 352.350 2.109 0 30 FEAC COC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)N1CC=CCS1(=O)=O 299803471 SIMZDZKHIFOMNI-INIZCTEOSA-N 367.467 2.150 0 30 FEAC COC(=O)C1(n2c(C(=O)N(C)C)cc3cnc(Cl)nc32)CCCC1 953033634 FAOBERWEMJGXNT-UHFFFAOYSA-N 350.806 2.229 0 30 FEAC COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccccc2)c(F)c1 1857524102 FJZNNKJZHQFMCK-LRDDRELGSA-N 361.348 2.377 0 30 FEAC COC(=O)c1ccc2c(c1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)CS2 2265383693 QYNJXPHOFVQUIS-NSHDSACASA-N 352.412 2.411 0 30 FEAC COc1ccc(OC[C@@H](O)CNS(=O)(=O)c2cccc(Cl)c2)cc1 1032925 RVTFLHVYSAIFAP-ZDUSSCGKSA-N 371.842 2.067 0 30 FEAC O=S(=O)(c1ccc(Cl)cc1)N1CCN=C1COc1cccnc1 20406020 ZBXZJZHISKCZAY-UHFFFAOYSA-N 351.815 2.217 0 30 FEAC CCOC(=O)c1cc(N2CCOCC2)c2scc(C(=O)OC)c2n1 1565504571 DZDNXYYYYQYHTG-UHFFFAOYSA-N 350.396 2.096 0 30 FEAC Cn1nc(CC(=O)NCCc2cn(C)c3ccccc23)c2ccccc2c1=O 888090619 LCPVETAETRHJSQ-UHFFFAOYSA-N 374.444 2.327 0 30 FEAC CCOC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]21 238850705 CRXCVBKATZWTAR-VKXCEXFMSA-N 351.402 2.029 0 30 FEAC Cn1nc(C(=O)N2C[C@@H]3C[C@@H](C2)[C@@H]2CCCC(=O)N2C3)c2ccccc21 888088422 YHQRUNQOMXQORS-DZKIICNBSA-N 352.438 2.046 0 30 FEAC Cc1cc2ncc(-c3ccnc(SCC(=O)NC(C)C)n3)c(C)n2n1 36048362 VCEUSHGSIVAKBO-UHFFFAOYSA-N 356.455 2.420 0 30 FEAC CNC(=O)Nc1[nH]nc(SC)c1S(=O)(=O)c1ccc(Cl)cc1 36048334 CRXDCLRAPNPUSK-UHFFFAOYSA-N 360.848 2.369 0 30 FEAC CN1CCc2cc3c(cc2[C@H]1[C@@H]1O[C@H](O)c2c1ccc1c2OCO1)OCO3 5966937 YMHFBUOKLSWOQF-NSHGMRRFSA-N 369.373 2.435 0 30 FEAC CCCn1c(=O)c(NC(=O)c2ccccc2)c(N)n(-c2ccccc2)c1=O 39125134 HBEDLESLHKMVHO-UHFFFAOYSA-N 364.405 2.244 0 30 FEAC CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2sccn23)CC1 101109588 PWWGCHOOEGIWEM-UHFFFAOYSA-N 361.398 2.103 0 30 FEAC O=C(CNC1Cc2ccccc2C1)Nc1ccccc1N1CCOCC1 4333824 OPVUCAPJMUJJEM-UHFFFAOYSA-N 351.450 2.219 0 30 FEAC Cn1nc(C(=O)N2C[C@@H]3C[C@@H](C2)[C@H]2CCCC(=O)N2C3)c2ccccc21 888088423 YHQRUNQOMXQORS-OFQRWUPVSA-N 352.438 2.046 0 30 FEAC CC(C)(C)c1ccc(NC(=O)N2CCN(CCN3CCOCC3)CC2)cc1 19835020 XJIBQFXJMQBQLN-UHFFFAOYSA-N 374.529 2.466 0 30 FEAC OCc1cc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)no1 142258923 LGINEWFMJWFATR-UHFFFAOYSA-N 374.360 2.399 0 30 FEAC Cc1ccc(N2C(=O)[C@H](c3ccccc3)[C@@H](N3CCOCC3)C2=O)cc1 20223500 YPKLTDKUUSUKIQ-RTBURBONSA-N 350.418 2.353 0 30 FEAC COC(=O)c1cc(S(=O)(=O)Nc2ccsc2C(=O)OC)oc1C 1028691 ZVKGDVDCVNJVKJ-UHFFFAOYSA-N 359.381 2.024 0 30 FEAC CC(=O)Oc1ccc2c3c1O[C@H]1C4(CC[C@@H](C=C2)[C@@]31CCO)OCCO4 2265351749 KMUVCEZDJCYBHA-ZMYBRWDISA-N 358.390 2.173 0 30 FEAC O=C(O)C[C@H](CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1 1032820 ZRWCVASLBYKEPY-INIZCTEOSA-N 370.405 2.213 0 30 FEAC CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)O)N(C(=O)OCc2ccccc2)C1 143281907 DDWOAECQYPSHMZ-KGLIPLIRSA-N 364.398 2.375 0 30 FEAC C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@]2(C)[C@]1(O)C(=O)CO 3831036 PIDANAQULIKBQS-HQELUPTJSA-N 372.461 2.012 0 30 FEAC in-vitro COC(=O)C[C@@H](c1ccccc1)N1CCN[C@@H](Cc2ccccc2)C1=O 96347666 AHOVCTZKWVNLRL-OALUTQOASA-N 352.434 2.334 0 30 FEAC CN(C)S(=O)(=O)c1nn(CC2CC2)c2ccc(Br)cc12 607717054 RKCFDQOZLZMQLO-UHFFFAOYSA-N 358.261 2.459 0 30 FEAC CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1O 103302451 IZQYDXYQXAXOGM-GJZGRUSLSA-N 350.415 2.141 0 30 FEAC Cc1noc(C)c1S(=O)(=O)N(Cc1ccccn1)Cc1ccccn1 1025782 WAWAVDWYYQDIEB-UHFFFAOYSA-N 358.423 2.473 0 30 FEAC N=C1c2ccccc2CN1c1cccc(S(=O)(=O)N2CCOCC2)c1 20255097 FFATTWGTAVPSHG-UHFFFAOYSA-N 357.435 2.053 0 30 FEAC CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1O 28255344 PWEZBNRZEHPIIQ-JTQLQIEISA-N 357.248 2.377 0 30 FEAC CCOC(=O)[C@H](Cc1cccc(C(=O)OC)c1)NC(=O)c1ccccc1 2144846 ZZRLJCSGHKQEQV-KRWDZBQOSA-N 355.390 2.377 0 30 FEAC O=C(O)CCCC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 4334856 PVNJNJRBSRVURD-UHFFFAOYSA-N 359.348 2.394 0 30 FEAC Cn1nc(C(F)(F)F)c(-c2ccccc2)c1NC(=O)COCC(=O)O 1032674 UHCGMKUBATWTQF-UHFFFAOYSA-N 357.288 2.146 0 30 FEAC O=S(=O)(c1ccc(-c2ccccn2)s1)N1CCC2(CC1)OCCO2 1033515 NKICZYZWLGZIGL-UHFFFAOYSA-N 366.464 2.338 0 30 FEAC COCCCNC1=NC(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S1 4322727 COCXQCWKGVMLMS-LBPRGKRZSA-N 355.847 2.293 0 30 FEAC Cc1noc(C)c1-c1nc(-c2ccc(OS(=O)(=O)N(C)C)cc2)no1 4390785 OURRXIFQVMBPJH-UHFFFAOYSA-N 364.383 2.194 0 30 FEAC CCCc1cc(=O)[nH]c(SCC(=O)NCCSCc2ccco2)n1 13466523 WWZZIWIQTQNJDG-UHFFFAOYSA-N 367.496 2.457 0 30 FEAC COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1C(=O)O 4324118 BTOCHLDKQPKFTG-UHFFFAOYSA-N 359.334 2.441 0 30 FEAC Cc1cc(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2)c(C)o1 4324941 RDIBJGBXTYQYIU-UHFFFAOYSA-N 356.831 2.258 0 30 FEAC CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O[C@H](C)C(C)=O 1851921 ZYOJXUNLLOBURP-GFCCVEGCSA-N 355.866 2.350 0 30 FEAC in-man CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OCc1ccccc1 34173239 FYUXMZUFURHCOX-ZPLOVTKXSA-N 372.417 2.418 0 30 FEAC O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 1035210 HAUJTUSOCOWURV-HNNXBMFYSA-N 370.380 2.219 0 30 FEAC O[C@@H](CNC[C@@H](O)[C@H]1CCc2ccccc2O1)[C@@H]1CCc2ccccc2O1 6117243 QSCYKSXNGYFRFZ-VVIORFSUSA-N 369.461 2.085 0 30 FEAC in-vitro CCOC(=O)c1[nH]c2ccc(C[C@H]3COC(=O)N3)cc2c1CCN(C)C 13605881 WKXOFVDKSFHGRL-ZDUSSCGKSA-N 359.426 2.100 0 30 FEAC in-vitro COc1ccc(COC[C@H](O)CS(=O)(=O)c2ccc(C)cc2)cc1 1042345 OTWFVGXQCUOYGD-INIZCTEOSA-N 350.436 2.355 0 30 FEAC CCOC(=O)CC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C 1565503823 JSOMSDHNJFKBHS-AWEZNQCLSA-N 351.399 2.350 0 30 FEAC CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O 103302453 IZQYDXYQXAXOGM-HUUCEWRRSA-N 350.415 2.141 0 30 FEAC COc1c(N2C[C@@H](C)C[C@H](N)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 40435195 AVPQPGFLVZTJOR-RYUDHWBXSA-N 371.437 2.217 0 30 FEAC investigational CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)C(C)C 1036000 JHXTTYALKOLJRA-UHFFFAOYSA-N 372.487 2.471 0 30 FEAC CCOC(=O)/C=C1\CN([C@@H](C(=O)OC)c2ccccc2Cl)CC[C@@H]1O 146929901 WAFXXZZOSCVLEO-MFLSKIGUSA-N 367.829 2.110 0 30 FEAC in-vitro COC(=O)C1=C(C)N(CCc2c[nH]c3ccccc23)C(=O)C1=CN(C)C 1406721 UVKATTBKFKRABE-UHFFFAOYSA-N 353.422 2.445 0 30 FEAC O[C@@H](CNC[C@@H](O)[C@H]1CCc2ccccc2O1)[C@H]1CCc2ccccc2O1 247745131 QSCYKSXNGYFRFZ-GMQQQROESA-N 369.461 2.085 0 30 FEAC C[C@H](O)CCC[C@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O 14817151 WTJYDBMHYPQFNJ-AOWADQNJSA-N 368.470 2.222 0 30 FEAC CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O 103302456 IZQYDXYQXAXOGM-LSDHHAIUSA-N 350.415 2.141 0 30 FEAC CCOC(=O)[C@@H]1[C@@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@@H]12 238850704 CRXCVBKATZWTAR-NYLIRDPKSA-N 351.402 2.029 0 30 FEAC CCOc1cc2c(cc1OC)[C@H](NC(=O)C(F)(F)F)C(=CN(C)C)C2=O 1393774 LCZNRHJSPDWWLG-AWEZNQCLSA-N 372.343 2.455 0 30 FEAC O=C(CSc1nnnn1-c1ccccc1)NC1Cc2ccccc2C1 1040260 LLBOXINZVAZALG-UHFFFAOYSA-N 351.435 2.038 0 30 FEAC CCCn1cnc2c1c(=O)n(CCCCCC(C)(C)O)c(=O)n2CC 2010434 ATHCWQQQOOHNJU-UHFFFAOYSA-N 350.463 2.121 0 30 FEAC Cc1ccc(N2C(=O)[C@@H](c3ccccc3)[C@@H](N3CCOCC3)C2=O)cc1 100393947 YPKLTDKUUSUKIQ-RBUKOAKNSA-N 350.418 2.353 0 30 FEAC CCOC(=O)/C=C1\CN([C@@H](C(=O)OC)c2ccccc2Cl)CC[C@H]1O 146930087 WAFXXZZOSCVLEO-PTTWRRFTSA-N 367.829 2.110 0 30 FEAC in-vitro CCOC(=O)C1=C(Nc2ccc(OC(C)=O)cc2)C(=O)N(C(C)(C)C)C1 1038668 JFYXKHCCDUAKRJ-UHFFFAOYSA-N 360.410 2.482 0 30 FEAC Cc1ccc(C(=O)O[C@H]2CO[C@@H]3CO[C@H](c4ccccc4)O[C@H]3[C@@H]2O)cc1 44960194 PGFGXGYVNALIEZ-MERXZDIISA-N 370.401 2.394 0 30 FEAC in-vitro COc1ccc(C=C2C(=O)N(C(C)=O)CC(=O)N2Cc2ccccc2)cc1 2265278856 HDCGJBNXVDJMQC-UHFFFAOYSA-N 364.401 2.454 0 30 FEAC Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(CO)c(O)c(C(=O)O)c(C)c1O2 6069552 VOXMONAUSQZPTP-UHFFFAOYSA-N 374.301 2.043 0 30 FEAC biogenic,in-vitro COC(=O)c1ccccc1N1C(=O)C[C@@H](Sc2ccccc2N)C1=O 100396302 MSCAQQPELHIGDH-OAHLLOKOSA-N 356.403 2.480 0 30 FEAC COC(=O)c1cc(NC(=O)c2c(C)noc2C)ccc1N1CCOCC1 1046211 VIABPOWITCRRCD-UHFFFAOYSA-N 359.382 2.167 0 30 FEAC NC(=O)c1ncn2c1[C@H](O)N=C(c1ccccc1Cl)c1ccccc1-2 5117452 OYGHBGPLFQTSAC-SFHVURJKSA-N 352.781 2.467 0 30 FEAC O[C@H](CN1CCC(N[C@@H]2CCCC[C@H]2O)CC1)Cn1ccc2ccccc21 248071541 YIKVGKGVFYPZHE-KCZVDYSFSA-N 371.525 2.360 0 30 FEAC CC1(C)O[C@H]2[C@H]([C@H]3COC(C)(C)O3)O[C@H](OC(=O)c3ccccc3)[C@H]2O1 223504391 JGSXTAWLEPFZIZ-JLHDYFKBSA-N 364.394 2.240 0 30 FEAC CN(C)CCN1C(=O)[C@@H](O)[C@H](c2ccc(O)cc2)Sc2ccccc21 3599456 QYKYTLTVPBXRNC-ROUUACIJSA-N 358.463 2.495 0 30 FEAC in-vitro O=C(O)CSCC(=O)NC1CCN(Cc2c(F)cccc2Cl)CC1 4324695 WZYZMRAIPGKRMP-UHFFFAOYSA-N 374.865 2.378 0 30 FEAC CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C)cc1 36423694 ZSWXJMOGLQKERG-ZDUSSCGKSA-N 357.428 2.183 0 30 FEAC COc1ccc2[nH]c(-c3ccc(N4CCN(C)CC4)cc3)nc(=O)c2c1 575449262 WJLYJMKSCOZXJG-UHFFFAOYSA-N 350.422 2.351 0 30 FEAC in-vitro CCOC(=O)[C@@H](Sc1cc(-c2ccccc2)nc2ncnn12)C(C)=O 1035337 UIRBBRWNVXRMTA-HNNXBMFYSA-N 356.407 2.404 0 30 FEAC CN(C)C(=O)c1cccnc1SCCS(=O)(=O)c1ccccc1 1038724 SNQUYFPGSBFLBA-UHFFFAOYSA-N 350.465 2.349 0 30 FEAC COc1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc(OC)c1OC 38876199 ZVGAWGZORXNQJF-NSHDSACASA-N 355.387 2.233 0 30 FEAC N[C@@H]1CCCO[C@@H]1C1CCN(C(=O)COc2ccc(F)c(F)c2)CC1 1340335135 VHRMKIYHJZPXCE-SJLPKXTDSA-N 354.397 2.089 0 30 FEAC NCCCN(Cc1ccc(-c2ccccc2)cc1)S(=O)(=O)CCCN 95883496 BJFPUXIGFGIQBS-UHFFFAOYSA-N 361.511 2.183 0 30 FEAC CS(=O)(=O)c1ccc([C@@H](O)Cn2c3c(sc2=N)CCCC3)cc1 31372500 JOBSHVWSLVXORP-AWEZNQCLSA-N 352.481 2.045 0 30 FEAC O=c1cc(CSc2n[nH]c(=O)n2Cc2ccco2)c2ccc(O)cc2o1 1033878 QXVSVNILKFUYOQ-UHFFFAOYSA-N 371.374 2.317 0 30 FEAC Cc1cc(C)n(-c2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N)n2)n1 1038564 MMPLZTSNEULABH-UHFFFAOYSA-N 363.830 2.348 0 30 FEAC O=C(CSc1n[nH]c(=O)n1-c1cccnc1)Nc1ccccc1Cl 15923267 XXAOKSSJINFULM-UHFFFAOYSA-N 361.814 2.340 0 30 FEAC O=C(O)CCS[C@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O 19924990 XIHZBUOTIJPHPY-JTQLQIEISA-N 363.313 2.425 0 30 FEAC COC(=O)c1c(Cc2ccccc2)c(=O)n2ccccc2c1C(=O)OC 32288576 JKJQSSHJRATRBZ-UHFFFAOYSA-N 351.358 2.464 0 30 FEAC Cc1oc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(F)cc1 1030190 UTGATKUKFFHDSD-UHFFFAOYSA-N 368.386 2.000 0 30 FEAC O=C1N(CO)CN(c2ccccc2)C12CCN(Cc1ccccc1)CC2 2004479 ASEPNUUZQHNDQR-UHFFFAOYSA-N 351.450 2.277 0 30 FEAC COc1ccc(CC(=O)NCc2nn(-c3ccccc3)nc2C)cc1OC 1034891 USCRNVBZOXCWOC-UHFFFAOYSA-N 366.421 2.452 0 30 FEAC C[C@H](O)CCC[C@H](O)/C=C/[C@H]1[C@H](C/C=C/CCCC(=O)O)C(=O)C[C@H]1O 257612988 WTJYDBMHYPQFNJ-AYGDCQLNSA-N 368.470 2.222 0 30 FEAC COc1cccc(Cn2c(=O)c3[nH]cnc3n(-c3ccccc3C)c2=O)c1 13658662 KGGKCBZKUQXYHM-UHFFFAOYSA-N 362.389 2.241 0 30 FEAC COc1ccc(COC[C@H](O)CS(=O)(=O)Cc2ccc(C)cc2)cc1 1042374 ALHXYFXTBVZSMS-SFHVURJKSA-N 364.463 2.496 0 30 FEAC O=C(OCCN1CCO[C@H](c2ccc(Cl)cc2)C1)N1CCOCC1 33895715 KQHCHFHZTVDVMT-INIZCTEOSA-N 354.834 2.182 0 30 FEAC Nc1nc(N)nc(NC[P@]2(=O)Oc3ccccc3-c3ccccc32)n1 263583984 HBVBMEQCXSOQKO-VWLOTQADSA-N 354.310 2.068 0 30 FEAC COC(=O)[C@@H](C=NNc1ncc(C(F)(F)F)cc1Cl)n1cncn1 254613262 ZCUVHUBAGDNGDM-SECBINFHSA-N 362.699 2.157 0 30 FEAC COc1cccc(-n2c(=O)n(Cc3ccccc3)c(=O)c3[nH]cnc32)c1C 1040180 QOIYBGDQOGZURD-UHFFFAOYSA-N 362.389 2.241 0 30 FEAC CC(C)(C)OC(=O)N[C@H]1CCc2[nH]nc(I)c2C1 2265378625 ORKAGOJKHOTYKV-ZETCQYMHSA-N 363.199 2.396 0 30 FEAC CCCc1cc(=O)[nH]c(SCc2noc(-c3snnc3C)n2)n1 2146536 XDHUAQGXTZMCAJ-UHFFFAOYSA-N 350.429 2.225 0 30 FEAC CC[C@@H]1CN1C(=O)c1cc(C(=O)N2C[C@H]2CC)cc(C(=O)N2C[C@H]2CC)c1 256009725 WTGFSHHTVSYGMF-SDJQSVDESA-N 369.465 2.390 0 30 FEAC O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccc(C(F)(F)F)cc1 64691674 WPDPXTVZZGWQCT-UHFFFAOYSA-N 360.719 2.361 0 30 FEAC Cc1ccccc1C(=O)NC(Nn1cnnc1)(C(F)(F)F)C(F)(F)F 1044127 OYXSYQFETKJYRG-UHFFFAOYSA-N 367.253 2.381 0 30 FEAC C[C@@H]1CCc2sc(C(=O)N3CCC[C@H](n4cc(CN)nn4)C3)cc2C1 333247751 GBFGCYPFNIZDAQ-DOMZBBRYSA-N 359.499 2.400 0 30 FEAC CO[C@@H]1[C@H](O)[C@H]2OC3(CCCCC3)O[C@H]2[C@@H]2OC3(CCCCC3)O[C@@H]12 25724478 VHMYHAALODQNRK-JXMXSTLTSA-N 354.443 2.265 0 30 FEAC Cc1nonc1NC(=O)CSc1nc2sc(C)c(C)c2c(=O)[nH]1 4861530 GHXOXFBYGLMAHU-UHFFFAOYSA-N 351.413 2.024 0 30 FEAC CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@H]2N[S@](=O)C(C)(C)C 1976186188 ZQXKHNNBAHWDEH-YEBMWUKDSA-N 360.520 2.454 0 30 FEAC O=C(c1ccc(-c2ccccc2)nc1O)N1CCC2(CCNC2=O)CC1 644149406 KYPAUZGKUHOTMO-UHFFFAOYSA-N 351.406 2.197 0 30 FEAC CC(=O)O[C@@H]1C(=O)N(CCN)c2ccccc2S[C@H]1c1ccc(O)cc1 108741907 HLUHIUIPTZZNFN-ROUUACIJSA-N 372.446 2.463 0 30 FEAC CC(C)(C)NC(=O)N[C@@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)O)C2(C)C)C(C)(C)C 45202109 ODCGBMOBUUHGRG-CYDGBPFRSA-N 367.490 2.066 0 30 FEAC COC(=O)CNC(=O)c1cccnc1Sc1cc(OC)ccc1OC 4300662 KYJLFDZQGZUFLD-UHFFFAOYSA-N 362.407 2.153 0 30 FEAC CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)O)C2(C)C)C(C)(C)C 40435121 ODCGBMOBUUHGRG-ZDEQEGDKSA-N 367.490 2.066 0 30 FEAC in-vitro CS(=O)(=O)CCSc1ncccc1C(=O)NCc1cccs1 1038732 GFVSPALGIZUJFK-UHFFFAOYSA-N 356.494 2.210 0 30 FEAC CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)O 2562540 YRFGOEXCVNSOSG-GJZGRUSLSA-N 350.415 2.307 0 30 FEAC O=c1c(Br)nn(Cc2ccccc2)c(=O)n1Cc1ccccc1 6096697 YBZGYEZYYVYYCJ-UHFFFAOYSA-N 372.222 2.264 0 30 FEAC COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(C(=O)C(C)C)CC[C@]314 2265352115 RHIRDMATXUEQTD-AAJFEFCHSA-N 355.434 2.486 0 30 FEAC CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H]2OC(C)(C)O[C@H]12 137890133 LYDYSASGASGLHR-TWMKSMIVSA-N 369.458 2.088 0 30 FEAC CN1CCN(c2ccc3[nH]c(=O)c(-c4nc5ccccc5[nH]4)c(N)c3c2)CC1 1494748 NZDKMYJOLQKUML-UHFFFAOYSA-N 374.448 2.405 0 30 FEAC Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)O)c2)c(C(=O)O)c1 33637760 KDEWKZQOXQFHLX-UHFFFAOYSA-N 370.770 2.119 0 30 FEAC CCOC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 138229999 GOGSKZUBMNYCCS-ZWKOTPCHSA-N 357.406 2.448 0 30 FEAC COC(=O)C[C@H](c1ccccc1)N1CCN[C@@H](Cc2ccccc2)C1=O 96347667 AHOVCTZKWVNLRL-RBUKOAKNSA-N 352.434 2.334 0 30 FEAC CCOCCCNC(=O)CSc1nnc2c3ccccc3n(C)c2n1 4856242 MKXIDYWLWPXBSG-UHFFFAOYSA-N 359.455 2.151 0 30 FEAC CCN(CCS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1037272 ZSPDLJHSPUPTMO-UHFFFAOYSA-N 367.492 2.480 0 30 FEAC O=S(=O)(C[C@@H](O)Cn1ccc(C(F)(F)F)n1)c1ccc(Cl)cc1 1028057 KGUQYCKDZZWTHS-JTQLQIEISA-N 368.764 2.390 0 30 FEAC CCOC(=O)C[S@@](=O)c1sc(C(=O)OCC)c2c1C(=O)CCC2 4349689 FOYBQHUCDFUMCP-QHCPKHFHSA-N 358.437 2.115 0 30 FEAC O=C(Nc1ccccc1C(=O)N[C@@H]1CCCCNC1=O)c1cccs1 1044526 FHOCPMCSEZAWHQ-CQSZACIVSA-N 357.435 2.399 0 30 FEAC C[C@H](CCCC(C)(C)O)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 5751262 FIUYBIDMMLCVBY-SNVBAGLBSA-N 362.879 2.047 0 30 FEAC O[C@@H](CNC[C@@H](O)[C@@H]1CCc2ccccc2O1)[C@H]1CCc2ccccc2O1 247745132 QSCYKSXNGYFRFZ-MTIDIVMFSA-N 369.461 2.085 0 30 FEAC O=C1CCCCN1c1ccc(-n2cccc(N3CCOCC3)c2=O)cc1 504478989 CYBRJTPPHBKDNX-UHFFFAOYSA-N 353.422 2.191 0 30 FEAC in-vitro Cc1cc(-c2c(C(=O)NN3CCOCC3)c(C)nn2-c2ccccc2)no1 1031883 XKZVCUFCHWOJKL-UHFFFAOYSA-N 367.409 2.121 0 30 FEAC N[C@H]1CCCO[C@H]1C1CCN(C(=O)COc2ccc(F)c(F)c2)CC1 1340335137 VHRMKIYHJZPXCE-WMZOPIPTSA-N 354.397 2.089 0 30 FEAC CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)CC 1035999 FIADHVCDROQKFM-UHFFFAOYSA-N 358.460 2.082 0 30 FEAC C=CS(=O)(=O)Nc1cccc(Cc2nn(C(C)C)c3ncnc(N)c23)c1 95564454 AAFALAKLPXVLIO-UHFFFAOYSA-N 372.454 2.465 0 30 FEAC CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN4CCC3CC4)cc21 596925 UBGCCYGMLOBJOJ-UHFFFAOYSA-N 359.401 2.143 0 30 FEAC in-man CC(C)(C)OC(=O)Nc1ncc(B(O)OC(C)(C)C(C)(C)O)cc1Cl 2265328759 XSKZLLJIFDSYCC-UHFFFAOYSA-N 372.658 2.336 0 30 FEAC O=C(O)Cc1cc(Br)c(CC(=O)O)cc1Br 147096735 QHFDINIDTSXWMR-UHFFFAOYSA-N 351.978 2.466 0 30 FEAC O=c1c(N2CCN(S(=O)(=O)c3ccccc3)CC2)coc2ccccc12 1028457 PBJZZFYPIOJPCY-UHFFFAOYSA-N 370.430 2.304 0 30 FEAC COc1ccc(Cn2c(=O)c3[nH]cnc3n(-c3ccccc3C)c2=O)cc1 13658659 VPTHBWVYLMWYPP-UHFFFAOYSA-N 362.389 2.241 0 30 FEAC O=C1N(CN2CCCCC2)c2ccc(Br)cc2C12OCCO2 4377824 KOSKFBGPEMOHEH-UHFFFAOYSA-N 367.243 2.439 0 30 FEAC CN1CCN(Cc2ccc(-n3cc4cc(F)cc(C(N)=O)c4n3)cc2)CC1 118477263 CWISFANUCRTMOR-UHFFFAOYSA-N 367.428 2.011 0 30 FEAC COC(=O)c1sccc1NS(=O)(=O)c1cccc2nsnc12 3118982 CCJOAKZUTNFODK-UHFFFAOYSA-N 355.422 2.340 0 30 FEAC O=C(O)CCS[C@@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O 4371472 XIHZBUOTIJPHPY-SNVBAGLBSA-N 363.313 2.425 0 30 FEAC O[C@@]1(C(F)(F)F)CC(c2cc3c(cc2Br)OCCO3)=NN1 1047179 XVSAKAICAYVMJJ-LLVKDONJSA-N 367.121 2.169 0 30 FEAC Cc1ccc(S(=O)(=O)NNc2ncnc3c([N+](=O)[O-])cccc23)cc1 142234136 ADWMARKDMCYDMH-UHFFFAOYSA-N 359.367 2.152 0 30 FEAC CC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)O 2562531 YRFGOEXCVNSOSG-CABCVRRESA-N 350.415 2.307 0 30 FEAC CCN1C(=O)C(C#N)=C(C)/C(=N/Nc2ccccc2Br)C1=O 142144517 HREPADRMNWYXLP-UYRXBGFRSA-N 361.199 2.446 0 30 FEAC CC1=NN=C(c2ccc(NC(=O)CN)cc2)c2cc3c(cc2C1)OCO3 33893367 MLMOSKRXUXVKAM-UHFFFAOYSA-N 350.378 2.082 0 30 FEAC Cc1c(C(=O)O)nnn1-c1cccc2c1CCN(C(=O)NC(C)(C)C)C2 68589884 GXWXFENSPLFVTR-UHFFFAOYSA-N 357.414 2.140 0 30 FEAC Cc1cc(Br)ccc1C(=O)NCC(=O)NCC(F)(F)F 57011439 QQGNEMLIFBPKHP-UHFFFAOYSA-N 353.138 2.166 0 30 FEAC O=S(=O)(c1ccc2c(c1)CCO2)N1CCN(c2ccc(F)cc2)CC1 1032959 QJPSFLIFQSHRIM-UHFFFAOYSA-N 362.426 2.272 0 30 FEAC COC(=O)C(=O)c1cc2cc(OC)ccc2n1S(=O)(=O)c1ccccc1 22001188 FVYLKWOYEUIMAB-UHFFFAOYSA-N 373.386 2.243 0 30 FEAC COCc1cc(O)nc(SCCS(=O)(=O)c2ccc(C)cc2)n1 5177936 FXCCZVZTAILYEQ-UHFFFAOYSA-N 354.453 2.203 0 30 FEAC O[C@@H](CNC[C@@H](O)[C@@H]1CCc2ccccc2O1)[C@@H]1CCc2ccccc2O1 6117269 QSCYKSXNGYFRFZ-UDKICSLYSA-N 369.461 2.085 0 30 FEAC in-vitro C[C@H]1CCc2sc(C(=O)N3CCC[C@@H](n4cc(CN)nn4)C3)cc2C1 333247753 GBFGCYPFNIZDAQ-SWLSCSKDSA-N 359.499 2.400 0 30 FEAC COC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)N1CC=CS1(=O)=O 299803304 HNNGQVQIXOEUJT-HNNXBMFYSA-N 353.440 2.107 0 30 FEAC O[C@H](CN1CCC(N[C@H]2CCCC[C@H]2O)CC1)Cn1ccc2ccccc21 248071547 YIKVGKGVFYPZHE-RZUBCFFCSA-N 371.525 2.360 0 30 FEAC COc1ccc(Cn2c(=O)cc(N)n(-c3cccc(SC)c3)c2=O)cc1 1040189 IKNKFPPMIGYYGR-UHFFFAOYSA-N 369.446 2.360 0 30 FEAC O=S(=O)(O)c1cc(Br)ccc1I 4375735 TXEWYABDBRKQOV-UHFFFAOYSA-N 362.970 2.300 0 30 FEAC Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@H]3C)n1 218861721 PPSNFPASKFYPMN-VIFPVBQESA-N 358.402 2.461 0 30 FEAC Cc1nnsc1-c1c(C(=O)N2CCOCC2)c(C)nn1-c1ccccc1 1031986 DDTMLTZBWZWAMT-UHFFFAOYSA-N 369.450 2.480 0 30 FEAC CCC[C@H](C(=O)OCC)N1C(=O)[C@H]2C[C@H]3CCCC[C@H]3N2C(=O)[C@@H]1C 96030628 BSZZSBSELAVBAG-UYJHQMFVSA-N 350.459 2.109 0 30 FEAC in-vitro CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)CCC(=O)O)cc2)c1C 4390266 JYFOJZFTRBMWKP-UHFFFAOYSA-N 359.382 2.469 0 30 FEAC Cn1cnc(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C)c1 1033895 QHCRAWHQVKPSIR-UHFFFAOYSA-N 351.819 2.275 0 30 FEAC CCOC(=O)/C=C1\CN([C@H](C(=O)OC)c2ccccc2Cl)CC[C@@H]1O 65739359 WAFXXZZOSCVLEO-BCWDTRBQSA-N 367.829 2.110 0 30 FEAC in-vitro CCN(CCS(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccccc1 1037298 NJTACFAXAOUSSJ-UHFFFAOYSA-N 367.492 2.480 0 30 FEAC O=C(O)/C=C/C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 4390483 PKHDKPNVSFNUBY-OWOJBTEDSA-N 363.723 2.043 0 30 FEAC O=C(O)CN(CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccccc1 4389218 DVTFZMUVZXXYSS-UHFFFAOYSA-N 370.405 2.373 0 30 FEAC COc1cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc(OC)c1OC 66114344 ZVGAWGZORXNQJF-LLVKDONJSA-N 355.387 2.233 0 30 FEAC O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1C[C@H](O)CO 608045 RCDQRWWSKKYAJG-LBPRGKRZSA-N 362.788 2.016 0 30 FEAC in-man COC(=O)C1=C(Nc2ccccc2NC(=O)CCCC(=O)O)CSC1 1032504 ZSZCTGKWKCGYRK-UHFFFAOYSA-N 364.423 2.466 0 30 FEAC CCOC(=O)c1cnc2c(c(C)nn2C)c1N1CCC(C(=O)OCC)CC1 20443828 GCADDSSXYZUTIT-UHFFFAOYSA-N 374.441 2.233 0 30 FEAC Cc1cn(S(=O)(=O)c2cn(C)nc2C(F)(F)F)nc1C(F)(F)F 1023672 GSIWVELEGRTHQL-UHFFFAOYSA-N 362.255 2.200 0 30 FEAC COC(=O)c1c(C)c(I)c(O)c(OC)c1OC 6068724 DDAKTXCYCCRJKJ-UHFFFAOYSA-N 352.124 2.109 0 30 FEAC COC(=O)[C@@](C)(O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 22001175 CBUDUWXJCNABFQ-SFHVURJKSA-N 359.403 2.259 0 30 FEAC O=C1N(CO)CN(c2ccc(F)cc2)C12CCN(Cc1ccccc1)CC2 142223095 KMXQSILBHPPJOG-UHFFFAOYSA-N 369.440 2.416 0 30 FEAC O=S(=O)(CCN1C=CC(C(F)(F)F)=NCC1)c1ccc(F)cc1 19924822 VRTAYHBBOKLQLJ-UHFFFAOYSA-N 350.337 2.432 0 30 FEAC O=C(O)c1sccc1S(=O)(=O)Nc1ccccc1N1CCOCC1 4297049 ZQRQXEMDUGCAOJ-UHFFFAOYSA-N 368.436 2.084 0 30 FEAC O=S(=O)(c1cccnc1Cl)N1CCN(Cc2ccccc2)CC1 73494269 HJZWYTARRPMUCU-UHFFFAOYSA-N 351.859 2.242 0 30 FEAC O=c1cc(CSc2n[nH]c(=O)n2-c2cccnc2)c2ccc(O)cc2o1 1033877 VIVLDENDWQEDRW-UHFFFAOYSA-N 368.374 2.060 0 30 FEAC COC(=O)c1cnc(SCCS(=O)(=O)c2ccc(C)cc2)n1C 1038667 MONOYEMGELKQNG-UHFFFAOYSA-N 354.453 2.081 0 30 FEAC COC(=O)C[C@H](c1ccccc1)N1CCN[C@H](Cc2ccccc2)C1=O 96347665 AHOVCTZKWVNLRL-RTBURBONSA-N 352.434 2.334 0 30 FEAC O=C(C[C@H]1C(=O)NCCN1C(=O)Nc1ccccc1)Nc1ccc(F)cc1 1032969 CZSHNTCGKXIIOR-INIZCTEOSA-N 370.384 2.187 0 30 FEAC Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccccc1C(=O)O 4333839 SYIBNVMFWLHGOP-UHFFFAOYSA-N 362.407 2.196 0 30 FEAC COCCn1nnnc1CN1CCC(c2nc3ccccc3s2)CC1 7062846 COCCOKYAONTAAN-UHFFFAOYSA-N 358.471 2.309 0 30 FEAC O=S(=O)(CCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 20443787 APWIJYJUENUNBW-UHFFFAOYSA-N 362.470 2.417 0 30 FEAC O=C(c1cccs1)N1CCN(c2ncc(Br)cn2)CC1 1042066 SSJBCXPOJWVRIA-UHFFFAOYSA-N 353.245 2.263 0 30 FEAC COc1ccc(Cn2c(Cl)cc(=O)n(C)c2=O)cc1Br 12649335 UGFCGEFMYNAGSV-UHFFFAOYSA-N 359.607 2.020 0 30 FEAC CC(C)(C)OC(=O)N1CCO[C@H]2[C@H]1C2(Br)Br 1535647412 SVVTTWVEAORBRF-BQBZGAKWSA-N 357.042 2.491 0 30 FEAC Cc1nnsc1C(=O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 19615931 OGRREJUVGQDRGV-UHFFFAOYSA-N 357.361 2.223 0 30 FEAC O=C1NC(=O)[C@H](Cc2ccc(OCCc3ccc(C(=O)O)cn3)cc2)S1 22056098 SLOBZACXYXBLIT-HNNXBMFYSA-N 372.402 2.295 0 30 FEAC in-vitro CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)s2)CC1 1035097 MBNDGAHIIVFMIX-UHFFFAOYSA-N 352.865 2.301 0 30 FEAC COc1ccc(C)c(-n2c(=O)n(Cc3ccccc3)c(=O)c3[nH]cnc32)c1 1040167 OQRYNYPETAEWSX-UHFFFAOYSA-N 362.389 2.241 0 30 FEAC COc1ccc(COC[C@@H](O)CS(=O)(=O)Cc2ccccc2)cc1 1042372 SPTKCVZTIAUPHW-QGZVFWFLSA-N 350.436 2.188 0 30 FEAC O=C(N[C@H]1CCCCNC1=O)c1cnn(-c2ccccc2)c1C(F)(F)F 1034463 FVOYPJOAVPIYCF-ZDUSSCGKSA-N 366.343 2.290 0 30 FEAC O=C(C1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CCSCC1 1048514 GVQAXEMWBIKFBJ-UHFFFAOYSA-N 360.405 2.287 0 30 FEAC CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H]1C2(Br)Br 1535647416 SVVTTWVEAORBRF-NKWVEPMBSA-N 357.042 2.491 0 30 FEAC COc1ccc(COC[C@H](O)CS(=O)(=O)Cc2ccccc2)cc1 1042371 SPTKCVZTIAUPHW-KRWDZBQOSA-N 350.436 2.188 0 30 FEAC COc1ccc(C(=O)NCCS(=O)(=O)Cc2ccc(F)cc2)cc1 1046727 WUHZNYRYQOEVMV-UHFFFAOYSA-N 351.399 2.179 0 30 FEAC O=C(Nc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1ccc(F)cc1 59889815 RYGPLQPCLXOBKN-UHFFFAOYSA-N 362.426 2.308 0 30 FEAC N[C@H](Cc1c[nH]c2ccccc12)C(=O)NN=Cc1ccc2nccnc2c1 254288261 FGYHLIHEFHCMPP-MRXNPFEDSA-N 358.405 2.131 0 30 FEAC O=C(O)C[C@@H](CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1 1032821 ZRWCVASLBYKEPY-MRXNPFEDSA-N 370.405 2.213 0 30 FEAC Cc1noc(C)c1-c1nc(CSc2n[nH]c(=O)n2Cc2ccco2)no1 8636742 ACRWSCYZTFFSKY-UHFFFAOYSA-N 374.382 2.160 0 30 FEAC CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 1028337 DUDSHAJKBLUPMC-UHFFFAOYSA-N 366.361 2.168 0 30 FEAC COc1ccc(Cl)c(OC)c1C(=O)NC(=O)Nc1nc(C)nc(C)n1 1031301 MBACQKTUVPLITF-UHFFFAOYSA-N 365.777 2.121 0 30 FEAC CCOC(=O)[C@@H](Cc1cccc(C(=O)OC)c1)NC(=O)c1ccccc1 2144844 ZZRLJCSGHKQEQV-QGZVFWFLSA-N 355.390 2.377 0 30 FEAC CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OCc1ccccc1 34173240 FYUXMZUFURHCOX-RLLAOZKESA-N 372.417 2.418 0 30 FEAC COc1cccn(Cc2nnc(SCC(=O)c3ccccc3)o2)c1=O 1039235 NZBJLKAEDDXIOL-UHFFFAOYSA-N 357.391 2.263 0 30 FEAC CC(=O)N[C@]12CN[C@H](c3ccccc3)[C@@H]1CCN(C(=O)OC(C)(C)C)C2 1615773736 SFQNWZQQVXIBTP-QKLQHJQFSA-N 359.470 2.463 0 30 FEAC O=S(=O)(c1ccccc1)N1CCN(c2ncnc3sccc23)CC1 1027263 UQLLXDOUPLCXOZ-UHFFFAOYSA-N 360.464 2.202 0 30 FEAC CC(C)(C)OC(=O)NCCc1ccc(B(O)OC(C)(C)C(C)(C)O)cc1 1565503696 YWRRXRSXQGPYCZ-UHFFFAOYSA-N 365.279 2.007 0 30 FEAC O=c1c2[nH]cnc2n(-c2ccccc2F)c(=O)n1Cc1ccccc1F 1040111 QGXSPZZZCSRVPW-UHFFFAOYSA-N 354.316 2.202 0 30 FEAC CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)/C=C\C(=O)O)cc2)c1C 33365110 JYPUGGUUKYMTAB-KTKRTIGZSA-N 357.366 2.245 0 30 FEAC O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 1035211 HAUJTUSOCOWURV-OAHLLOKOSA-N 370.380 2.219 0 30 FEAC CC[C@@H](C)[C@@H](C(=O)N1CCc2nc[nH]c2C1)N1Cc2ccccc2C1=O 1775965357 JLZXYPWZHNFPNA-ACJLOTCBSA-N 352.438 2.365 0 30 FEAC Nc1ccccc1S[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1=O 1045650 HYSYVOSMCOGGKQ-MRXNPFEDSA-N 356.403 2.464 0 30 FEAC CC1(C)[C@H]2CC[C@@]13CS(=O)(=O)N(C(=O)c1ccccc1C(=O)O)[C@@H]3C2 2529183 UJCSAJNSMWSFHF-FVMIAERFSA-N 363.435 2.365 0 30 FEAC CCOC(=O)c1cnc2c(C(=O)OC)csc2c1N1CCOCC1 953019374 ZFMSDASLAYGZRV-UHFFFAOYSA-N 350.396 2.096 0 30 FEAC Cc1nn(C)c(N(C)C)c1-c1noc(C)c1C(=O)N1C[C@H](C)O[C@H](C)C1 1615773759 WKVQXEYWOPXMBK-PHIMTYICSA-N 361.446 2.007 0 30 FEAC O=C(C[C@@H]1C(=O)NCCN1C(=O)Nc1ccccc1)Nc1ccc(F)cc1 1032968 CZSHNTCGKXIIOR-MRXNPFEDSA-N 370.384 2.187 0 30 FEAC C[C@H](CCc1ccccc1)NC[C@@H](O)COc1ccc(CC(N)=O)cc1 6036498 QUGGJYHUFSNFIO-VQIMIIECSA-N 356.466 2.065 0 30 FEAC COc1ccc(C(=O)Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1 59889808 HTEMGLAIMGCNIR-UHFFFAOYSA-N 374.462 2.178 0 30 FEAC CCCn1c(N)c(NC(=O)CC2CCCCC2)c(=O)n(CCC)c1=O 39125293 WLVKEMPFWNNMBZ-UHFFFAOYSA-N 350.463 2.321 0 30 FEAC Cc1ccc(NC(=O)NN2CC(=O)N(c3ccccc3F)CC2=O)cc1 1036168 QBHRQUNENGQMNS-UHFFFAOYSA-N 356.357 2.046 0 30 FEAC CC(=O)N[C@@H]1CC[C@@H]2[C@@H]3C[C@@H](O)[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C 2265351562 MSASVOZCUXSEMB-LQGQAWRSSA-N 363.498 2.045 0 30 FEAC COCCN(Cc1cc2cc3c(cc2nc1Cl)OCO3)C(=O)COC 6145429 BGNHVWKHCSHTMK-UHFFFAOYSA-N 366.801 2.238 0 30 FEAC O=C1C=CC(=O)N1c1ccc(Oc2cccc(N3C(=O)C=CC3=O)c2)cc1 96341809 PLEREJNQDZRJHL-UHFFFAOYSA-N 360.325 2.338 0 30 FEAC CCOC(=O)/C=C1\CN([C@H](C(=O)OC)c2ccccc2Cl)CC[C@H]1O 65739362 WAFXXZZOSCVLEO-LQIMAGMGSA-N 367.829 2.110 0 30 FEAC in-vitro C[C@@H](CCc1ccccc1)NC[C@H](O)COc1ccc(CC(N)=O)cc1 6020675 QUGGJYHUFSNFIO-LPHOPBHVSA-N 356.466 2.065 0 30 FEAC COCCCNC1=NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S1 3169931 COCXQCWKGVMLMS-GFCCVEGCSA-N 355.847 2.293 0 30 FEAC COc1ccc(Cn2c(=O)c3[nH]cnc3n(-c3ccc(C)cc3)c2=O)cc1 13658665 RIYKFHAMYXWWSX-UHFFFAOYSA-N 362.389 2.241 0 30 FEAC CC(C)(C)OC(=O)NCCN1CCN(C(=O)OCc2ccccc2)CC1 44137893 CZPWUUGEWNJQKG-UHFFFAOYSA-N 363.458 2.466 0 30 FEAC CC(C)(C)OC(=O)N[C@@H]1CCc2[nH]nc(I)c2C1 2265378624 ORKAGOJKHOTYKV-SSDOTTSWSA-N 363.199 2.396 0 30 FEAC CCOC(=O)CN1CCC(O[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)CC1 2048487694 FKRXXOYROOFCIY-CTYIDZIISA-N 356.463 2.086 0 30 FEAC C[C@@H](CCc1ccccc1)NC[C@@H](O)COc1ccc(CC(N)=O)cc1 6020678 QUGGJYHUFSNFIO-QFBILLFUSA-N 356.466 2.065 0 30 FEAC O=C(Nc1cn[nH]c1-c1ccccn1)c1nn(C2CCNCC2)cc1Cl 223872936 BPVZKUXLOLRECL-UHFFFAOYSA-N 371.832 2.498 0 30 FEAC in-vitro COc1cc(C2CC(=O)N(c3cc(C)on3)C(=O)C2)cc(OC)c1OC 3119511 HCGYKHPBWUUUQF-UHFFFAOYSA-N 360.366 2.446 0 30 FEAC CS(=O)(=O)c1ccc([C@H](O)Cn2c3c(sc2=N)CCCC3)cc1 31372504 JOBSHVWSLVXORP-CQSZACIVSA-N 352.481 2.045 0 30 FEAC COc1ccc(C[C@]2(C)N[C@H](CO)[C@@H](c3ccccc3)OC2=O)cc1OC 200262002 GTVXBQXGAHPLHV-BSIFCXSSSA-N 371.433 2.254 0 30 FEAC COc1cc(C(=O)CN2CCN(c3ccccn3)CC2)cc(OC)c1OC 31771085 SRFGDSNVKQSGIM-UHFFFAOYSA-N 371.437 2.112 0 30 FEAC O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1C[C@@H](O)CO 33854789 RCDQRWWSKKYAJG-GFCCVEGCSA-N 362.788 2.016 0 30 FEAC in-man CCOCCCNC(=O)CSc1nnc2c(n1)[nH]c1ccc(C)cc12 4861446 DCXRQYJYKBNZLA-UHFFFAOYSA-N 359.455 2.449 0 30 FEAC O=C(O)[C@@H]1Cc2cc(Br)c(O)c(Br)c2CN1 197127067 XPMBWJUCEIXOBO-ZETCQYMHSA-N 350.994 2.016 0 30 FEAC CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1O 103302450 IZQYDXYQXAXOGM-CABCVRRESA-N 350.415 2.141 0 30 FEAC C[C@H](O)CCC[C@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@H]1C/C=C/CCCC(=O)O 257612989 WTJYDBMHYPQFNJ-XMJGCLNCSA-N 368.470 2.222 0 30 FEAC O=S(=O)(Nc1ccccc1N1CCOCC1)c1ccc2c(c1)OCC2 1033530 GMNLXQDYYPYFJS-UHFFFAOYSA-N 360.435 2.259 0 30 FEAC CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Sc1ccccc1)C(=O)O 3647340 ZIRMREOJJGMRIJ-WMZOPIPTSA-N 372.446 2.053 0 30 FEAC COc1cc2c(cc1OC)[C@H](C)N(S(=O)(=O)c1cn(C)c(C)n1)CC2 1033229 LCOLXNYRAYSOSS-NSHDSACASA-N 365.455 2.054 0 30 FEAC CC(C)(C)OC(=O)NCCCC[C@H](N)C(=O)Nc1ccc(CO)cc1 1774020974 BEUFRVDUCZTENA-HNNXBMFYSA-N 351.447 2.140 0 30 FEAC NC(=O)c1ncn2c1[C@@H](O)N=C(c1ccccc1Cl)c1ccccc1-2 5117451 OYGHBGPLFQTSAC-GOSISDBHSA-N 352.781 2.467 0 30 FEAC Cc1noc(C)c1NC(=O)NCCN1CCN(Cc2ccccc2)CC1 19924845 CXXDFHLBVGTUIQ-UHFFFAOYSA-N 357.458 2.231 0 30 FEAC Nc1nc(I)c2ncn(Cc3ccccc3)c2n1 87489332 INJVVINKZUVZII-UHFFFAOYSA-N 351.151 2.061 0 30 FEAC COC(=O)[C@](C)(O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 22001179 CBUDUWXJCNABFQ-GOSISDBHSA-N 359.403 2.259 0 30 FEAC CC1(C)OC(=O)C(Cc2cc([N+](=O)[O-])ccc2Br)C(=O)O1 72232944 GKYKTZYNROCJTD-UHFFFAOYSA-N 358.144 2.352 0 30 FEAC CCN(CC)C(=O)CSc1nnc2nnc3cc(Cl)ccc3n12 1038998 RBGLIJKWOGTUGZ-UHFFFAOYSA-N 350.835 2.286 0 30 FEAC COC(=O)c1ccccc1N1C(=O)C[C@H](Sc2ccccc2N)C1=O 1045168 MSCAQQPELHIGDH-HNNXBMFYSA-N 356.403 2.480 0 30 FEAC Cc1cccc(-c2ccc(C(=O)O)c(N3Cc4cnn(CCO)c4C3)n2)c1 67473356 GIEJFUKCRYYQRM-UHFFFAOYSA-N 364.405 2.464 0 30 FEAC Cn1cc(CCNC(=O)Cn2ncc3ccccc3c2=O)c2ccccc21 888090603 KOHPQRXDPKFECF-UHFFFAOYSA-N 360.417 2.247 0 30 FEAC CN(C)C(=O)c1cc(Cc2ccc(S(C)(=O)=O)cc2)cc(C(=O)O)c1 95628367 UWIWKJNFTQHWCQ-UHFFFAOYSA-N 361.419 2.081 0 30 FEAC COc1ccc(OC[C@H](O)CNS(=O)(=O)c2cccc(Cl)c2)cc1 1032924 RVTFLHVYSAIFAP-CYBMUJFWSA-N 371.842 2.067 0 30 FEAC Cc1cnc(N2CCN(NC(=S)Nc3cccnc3)CC2)c(Cl)c1 20412772 SJMUZHHAXNZRQA-UHFFFAOYSA-N 362.890 2.462 0 30 FEAC COCCCNC1=NC(=O)[C@H](CC(=O)Nc2ccccc2Cl)S1 3169939 OOKMVQUDVBSFGE-LBPRGKRZSA-N 355.847 2.293 0 30 FEAC CC(C)(C)OC(=O)NCc1ccc(B(O)OC(C)(C)C(C)(C)O)cc1F 2265362177 XXCFBAOREKHPIX-UHFFFAOYSA-N 369.242 2.104 0 30 FEAC O=C(NC(=O)N1CCCC1)C1CCN(c2cnc3ccccc3n2)CC1 1043576 KJZCQQSUNZAKJB-UHFFFAOYSA-N 353.426 2.178 0 30 FEAC CCOC(=O)C[S@](=O)c1sc(C(=O)OCC)c2c1C(=O)CCC2 4349691 FOYBQHUCDFUMCP-HSZRJFAPSA-N 358.437 2.115 0 30 FEAC CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(C)C 4324267 WFDBQMWISXHQPJ-LBPRGKRZSA-N 369.361 2.451 0 30 FEAC COc1ccccc1NC(=O)[C@H](C(C)=O)c1nc(Cl)nc(Cl)n1 5167106 QFKHNOLBVWLNNR-SNVBAGLBSA-N 355.181 2.498 0 30 FEAC C[C@H](CCc1ccccc1)NC[C@H](O)COc1ccc(CC(N)=O)cc1 6036495 QUGGJYHUFSNFIO-APWZRJJASA-N 356.466 2.065 0 30 FEAC CCOC(=O)[C@H](Sc1cc(-c2ccccc2)nc2ncnn12)C(C)=O 1035336 UIRBBRWNVXRMTA-OAHLLOKOSA-N 356.407 2.404 0 30 FEAC CC(=O)N[C@@H]1CC[C@@H]2[C@@H]3C[C@@H](O)[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]12C 2265351565 MSASVOZCUXSEMB-VNOXUDHASA-N 363.498 2.045 0 30 FEAC Cc1nc(-c2ccccn2)nc(SCC(=O)N2CCOCC2)c1Cl 1030042 GRTZJHGGZAXRRA-UHFFFAOYSA-N 364.858 2.451 0 30 FEAC COc1cc(Br)c(O)c(C=NNC(=O)c2cccnc2)c1 254608107 ONSUSFWKESANIU-UHFFFAOYSA-N 350.172 2.322 0 30 FEAC CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(F)cc2F)n1 1042655 LFHRKMQLRBNRKC-UHFFFAOYSA-N 362.379 2.328 0 30 FEAC O=S(=O)(Nc1ccncc1I)c1ccccc1 35323283 GYIIWNARIDGXRO-UHFFFAOYSA-N 360.176 2.487 0 30 FEAC Nc1nc(N)nc(NC[P@@]2(=O)Oc3ccccc3-c3ccccc32)n1 263583983 HBVBMEQCXSOQKO-RUZDIDTESA-N 354.310 2.068 0 30 FEAC CC(=O)Nc1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1 29556006 BDQUHBUAVXYYNE-UHFFFAOYSA-N 367.453 2.191 0 30 FEAC O=C1Nc2ncccc2/C1=C/c1ccc(S(=O)(=O)O)c2ncccc12 39140605 KQWHOKRIXPZREO-LCYFTJDESA-N 353.359 2.369 0 30 FEAC CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)[C@H]2O 95616989 VPGOAWWHLRERHZ-HNNXBMFYSA-N 361.442 2.300 0 30 FEAC CC(=O)Nc1cccc(-n2nnc(SCC(=O)Nc3ccccc3)n2)c1 1030065 HSMZGYSYXRXLCF-UHFFFAOYSA-N 368.422 2.352 0 30 FEAC CC(C)(C)OC(=O)N1CC[C@H]2NS(=O)(=O)c3ccccc3O[C@@H]2CC1 503852554 CRQDRWLAFBMKRI-CHWSQXEVSA-N 368.455 2.125 0 30 FEAC CCOC(=O)[C@H](NC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C)cc1 36423695 ZSWXJMOGLQKERG-CYBMUJFWSA-N 357.428 2.183 0 30 FEAC COc1cc2c(cc1OC)[C@@H](C)N(S(=O)(=O)c1cn(C)c(C)n1)CC2 1033227 LCOLXNYRAYSOSS-LLVKDONJSA-N 365.455 2.054 0 30 FEAC COc1ccc(COC[C@@H](O)CS(=O)(=O)c2ccc(C)cc2)cc1 1042344 OTWFVGXQCUOYGD-MRXNPFEDSA-N 350.436 2.355 0 30 FEAC COc1ccc(OCCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 4394988 PUHIRNHJEOGYLS-UHFFFAOYSA-N 364.423 2.071 0 30 FEAC COc1ccc(-c2csnn2)cc1S(=O)(=O)n1nc(C)cc1C 1041000 IZLYGIGDBCHVGN-UHFFFAOYSA-N 350.425 2.264 0 30 FEAC CN(CCOc1ccc(C=C2SC(=O)NC2=O)cc1)c1cnccn1 2265279729 FGBHIENLRYOSLT-UHFFFAOYSA-N 356.407 2.316 0 30 FEAC CCOC(=O)CSC(C)(CC(=O)OCC)SCC(=O)OCC 33605590 SHNHPBBQUGHACF-UHFFFAOYSA-N 352.474 2.248 0 30 FEAC CCn1nc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1C(=O)OC 12369657 GDOWTWFTOMAPEO-UHFFFAOYSA-N 357.819 2.452 0 30 FEAC COc1ccc(COC[C@@H](O)CS(=O)(=O)Cc2ccc(C)cc2)cc1 1042373 ALHXYFXTBVZSMS-GOSISDBHSA-N 364.463 2.496 0 30 FEAC CC[C@@H](C)c1ccc(NC(=O)Cn2ccc3c2c(=O)n(C)c(=O)n3C)cc1 575440310 INONJQVMDSCDIW-CYBMUJFWSA-N 368.437 2.191 0 30 FEAC CC[C@H](C)c1ccc(NC(=O)Cn2ccc3c2c(=O)n(C)c(=O)n3C)cc1 575440311 INONJQVMDSCDIW-ZDUSSCGKSA-N 368.437 2.191 0 30 FEAC O=C(OCCN1CCO[C@@H](c2ccc(Cl)cc2)C1)N1CCOCC1 33895716 KQHCHFHZTVDVMT-MRXNPFEDSA-N 354.834 2.182 0 30 FEAC COc1ccc(Cn2c(=O)cc(N)n(-c3ccccc3SC)c2=O)cc1 1040213 GSLGGGWHSJDEBZ-UHFFFAOYSA-N 369.446 2.360 0 30 FEAC O[C@]1(C(F)(F)F)CC(c2cc3c(cc2Br)OCCO3)=NN1 1047178 XVSAKAICAYVMJJ-NSHDSACASA-N 367.121 2.169 0 30 FEAC CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H]1C2(Br)Br 1535647417 SVVTTWVEAORBRF-RNFRBKRXSA-N 357.042 2.491 0 30 FEAC CC(=O)O[C@@H]1C(=O)N(CCN)c2ccccc2S[C@@H]1c1ccc(O)cc1 108741911 HLUHIUIPTZZNFN-ZWKOTPCHSA-N 372.446 2.463 0 30 FEAC O=C(NCCN1CCNC1=O)Nc1ccc(OCc2ccccc2)cc1 1030679 HUKKHZADDQIKOA-UHFFFAOYSA-N 354.410 2.412 0 30 FEAC O=C(CN1CCOCC1)Nc1ccc(OC2CCN(C3CCC3)CC2)cc1 149155622 LNXDUSQEXVQFGP-UHFFFAOYSA-N 373.497 2.353 0 30 FEAC Cn1cc(Br)c(-c2cccc(NC(=O)/C=C/C(=O)O)c2)n1 146416 UOWPFFWOWCZYSA-AATRIKPKSA-N 350.172 2.429 0 30 FEAC O=S(=O)(c1ccc(-c2noc(-c3ccccc3)n2)cc1)N1CCOCC1 1024182 YJZXHCAQMBWVAS-UHFFFAOYSA-N 371.418 2.425 0 30 FEAC O=C(OCc1ccco1)c1cnc(N2CCOCC2)nc1C(F)(F)F 1027020 DQOAOPQIFCPQRA-UHFFFAOYSA-N 357.288 2.282 0 30 FEAC O=C(Nc1ccccc1C(=O)N[C@H]1CCCCNC1=O)c1cccs1 1044525 FHOCPMCSEZAWHQ-AWEZNQCLSA-N 357.435 2.399 0 30 FEAC COc1nc(N)ncc1C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC1CCCCC1 33886435 MEBIAQIVZIDVQW-MQVJKMGUSA-N 373.501 2.373 0 30 FEAC Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCN1CCNC1=O 1030401 HMUCYNXPXAINOG-UHFFFAOYSA-N 366.780 2.198 0 30 FEAC CC(C)(C)OC(=O)N1Cc2ccc(B(O)OC(C)(C)C(C)(C)O)cc2C1 2265362271 GKGBYLVJUYHQTR-UHFFFAOYSA-N 363.263 2.191 0 30 FEAC CC(=O)N[C@@H]1CC[C@@H]2[C@@H]3C[C@@H](O)[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@]12C 2265351564 MSASVOZCUXSEMB-RXACJBMUSA-N 363.498 2.045 0 30 FEAC COCCCNC1=NC(=O)[C@@H](CC(=O)Nc2ccccc2Cl)S1 3169937 OOKMVQUDVBSFGE-GFCCVEGCSA-N 355.847 2.293 0 30 FEAC COc1cc(C[C@H]2C(=O)OC[C@@H]2[C@H](O)c2ccc(O)c(OC)c2)ccc1O 40896750 UKHWOLNMBQSCLJ-BIENJYKASA-N 374.389 2.180 0 30 FEAC biogenic,in-vitro CC(=O)Oc1ccc2c3c1O[C@H]1C4(CC[C@H](C=C2)[C@@]31CCO)OCCO4 2265351748 KMUVCEZDJCYBHA-KYNGSXCRSA-N 358.390 2.173 0 30 FEAC CN(C)CCN1C(=O)[C@@H](O)[C@@H](c2ccc(O)cc2)Sc2ccccc21 3599460 QYKYTLTVPBXRNC-ZWKOTPCHSA-N 358.463 2.495 0 30 FEAC in-vitro CC(C)(C)OC(=O)N[C@H]1C(=O)N2CC3(CC3)CN2C(=O)c2ccccc21 1857792962 LUFRWUAXKQWPIB-CQSZACIVSA-N 357.410 2.246 0 30 FEAC Cc1ccc(N2C(=O)[C@@H](N3CCOCC3)[C@@H](c3ccccc3)C2=O)cc1 100393942 YPKLTDKUUSUKIQ-MOPGFXCFSA-N 350.418 2.353 0 30 FEAC COC(=O)c1ccccc1S(=O)(=O)Cc1ccc(OC)c(OC)c1 1036796 KNQMGQNYOHOJHH-UHFFFAOYSA-N 350.392 2.464 0 30 FEAC O=C(CSc1nnnn1-c1ccc(O)cc1)c1ccc2c(c1)OCO2 1029691 UICNJDMDTZWTGZ-UHFFFAOYSA-N 356.363 2.072 0 30 FEAC Cc1c(/N=N/c2ccc(OS(C)(=O)=O)cc2)c(O)n(C)c(=O)c1C#N 39140167 RWMKKJWPGNAGIX-ISLYRVAYSA-N 362.367 2.025 0 30 FEAC O=C(CSc1n[nH]c(=O)n1-c1ccc2c(c1)OCCO2)c1ccccc1 1324192 UTSGXYPKCKAQKI-UHFFFAOYSA-N 369.402 2.307 0 30 FEAC Cc1ccc(NC(=S)NC(=O)c2ccccc2)cc1NS(C)(=O)=O 1033005 AHMSBHYIRUQYHO-UHFFFAOYSA-N 363.464 2.493 0 30 FEAC CC(C)(C)OC(=O)N1C[C@H](O)[C@@H]2[C@H]1CCN2C(=O)OCc1ccccc1 109163771 KKKAZQNBWKRKSB-PMPSAXMXSA-N 362.426 2.378 0 30 FEAC COc1ccc(-c2nc(CN3C(=O)c4ccccc4S3(=O)=O)no2)cc1 4334628 YZWZPXUNOCUZLM-UHFFFAOYSA-N 371.374 2.090 0 30 FEAC CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1C2(Br)Br 1535647418 SVVTTWVEAORBRF-RQJHMYQMSA-N 357.042 2.491 0 30 FEAC CC(C)(C)OC(=O)N1CC(N2CC(NC(=O)OCc3ccccc3)C2)C1 91353109 UXCBWYAEXOLCPB-UHFFFAOYSA-N 361.442 2.216 0 30 FEAC COC(=O)[C@@H](Cc1cc(OC)c(OC)cc1F)NC(=O)OC(C)(C)C 65735068 XSGLZBFKZWVZOE-GFCCVEGCSA-N 357.378 2.452 0 30 FEAC in-vitro Cn1c(=O)c(-c2noc(-c3cccs3)n2)cn(-c2ccccc2)c1=O 1039729 DGAYKVRJHPABHE-UHFFFAOYSA-N 352.375 2.315 0 30 FEAC c1csc(C2=Nn3c(Cn4nnc5ccccc54)nnc3SC2)c1 1035715 AAYNFQJMZDHKDD-UHFFFAOYSA-N 353.436 2.491 0 30 FEAC CC(C)C[C@H](NC(=O)N1CCC(C(=O)Nc2nccs2)CC1)C(=O)O 1772768905 XXKUWDIUUZIARI-LBPRGKRZSA-N 368.459 2.003 0 30 FEAC CC(C)(C)OC(=O)Nc1cc(B(O)OC(C)(C)C(C)(C)O)cnc1Cl 232321050 DFYAYFKCBQIZPI-UHFFFAOYSA-N 372.658 2.336 0 30 FEAC COc1cc(C[C@H]2C(=O)OC[C@@H]2[C@@H](O)c2ccc(O)c(OC)c2)ccc1O 14646809 UKHWOLNMBQSCLJ-TYILLQQXSA-N 374.389 2.180 0 30 FEAC biogenic,in-vitro Cc1ccc(C(=O)O[C@H]2CO[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3[C@@H]2O)cc1 83407127 PGFGXGYVNALIEZ-HMPZBHLVSA-N 370.401 2.394 0 30 FEAC in-vitro N[C@H]1CO[C@@H]2[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CO[C@H]12 958536170 FFXDXXNMLRDBDJ-VNTMZGSJSA-N 366.417 2.019 0 30 FEAC O=C(CSc1nc2ccccc2n1CC(=O)N1CCCCC1)NC1CC1 4859177 BPGYUQPVPUUARB-UHFFFAOYSA-N 372.494 2.420 0 30 FEAC Cc1ccc(N2C(=O)[C@@H](c3ccccc3)[C@H](N3CCOCC3)C2=O)cc1 100393945 YPKLTDKUUSUKIQ-OALUTQOASA-N 350.418 2.353 0 30 FEAC CCOC(=O)c1c([N+](=O)[O-])c(-c2ccccc2)[nH]c(=O)c1C(=O)OCC 146195226 QZKSNEQBXATZAN-UHFFFAOYSA-N 360.322 2.304 0 30 FEAC